WorldWideScience

Sample records for patient-specific basis functions

  1. Patient-specific prediction of functional recovery after stroke.

    Science.gov (United States)

    Douiri, Abdel; Grace, Justin; Sarker, Shah-Jalal; Tilling, Kate; McKevitt, Christopher; Wolfe, Charles DA; Rudd, Anthony G

    2017-07-01

    Background and aims Clinical predictive models for stroke recovery could offer the opportunity of targeted early intervention and more specific information for patients and carers. In this study, we developed and validated a patient-specific prognostic model for monitoring recovery after stroke and assessed its clinical utility. Methods Four hundred and ninety-five patients from the population-based South London Stroke Register were included in a substudy between 2002 and 2004. Activities of daily living were assessed using Barthel Index) at one, two, three, four, six, eight, 12, 26, and 52 weeks after stroke. Penalized linear mixed models were developed to predict patients' functional recovery trajectories. An external validation cohort included 1049 newly registered stroke patients between 2005 and 2011. Prediction errors on discrimination and calibration were assessed. The potential clinical utility was evaluated using prognostic accuracy measurements and decision curve analysis. Results Predictive recovery curves showed good accuracy, with root mean squared deviation of 3 Barthel Index points and a R 2 of 83% up to one year after stroke in the external cohort. The negative predictive values of the risk of poor recovery (Barthel Index <8) at three and 12 months were also excellent, 96% (95% CI [93.6-97.4]) and 93% [90.8-95.3], respectively, with a potential clinical utility measured by likelihood ratios (LR+:17 [10.8-26.8] at three months and LR+:11 [6.5-17.2] at 12 months). Decision curve analysis showed an increased clinical benefit, particularly at threshold probabilities of above 5% for predictive risk of poor outcomes. Conclusions A recovery curves tool seems to accurately predict progression of functional recovery in poststroke patients.

  2. Mixtures of truncated basis functions

    DEFF Research Database (Denmark)

    Langseth, Helge; Nielsen, Thomas Dyhre; Rumí, Rafael

    2012-01-01

    In this paper we propose a framework, called mixtures of truncated basis functions (MoTBFs), for representing general hybrid Bayesian networks. The proposed framework generalizes both the mixture of truncated exponentials (MTEs) framework and the mixture of polynomials (MoPs) framework. Similar t...

  3. Evaluative Measurement Properties of the Patient-Specific Functional Scale for Primary Shoulder Complaints in Physical Therapy Practice

    NARCIS (Netherlands)

    Koehorst, Marije L. S.; van Trijffel, Emiel; Lindeboom, Robert

    2014-01-01

    STUDY DESIGN: Clinical measurement, longitudinal. OBJECTIVES: To assess the test-retest reliability, construct validity, and responsiveness of the Patient-Specific Functional Scale (PSFS) in patients with a primary shoulder complaint. BACKGROUND: Health measurement outcomes have become increasingly

  4. The patient-specific functional scale: psychometrics, clinimetrics, and application as a clinical outcome measure.

    Science.gov (United States)

    Horn, Katyana Kowalchuk; Jennings, Sophie; Richardson, Gillian; Vliet, Ditte Van; Hefford, Cheryl; Abbott, J Haxby

    2012-01-01

    Systematic review of the literature. To summarize peer-reviewed literature on the reliability, validity, and responsiveness of the Patient-Specific Functional Scale (PSFS), and to identify its use as an outcome measure. Searches were performed of several electronic databases from 1995 to May 2010. Studies included were published articles containing (1) primary research investigating the psychometric and clinimetrics of the PSFS or (2) the implementation of the PSFS as an outcome measure. We assessed the methodological quality of studies included in the first category. Two hundred forty-two articles published from 1994 to May 2010 were identified. Of these, 66 met the inclusion criteria for this review, with 13 reporting the measurement properties of the PSFS, 55 implementing the PSFS as an outcome measure, and 2 doing both of the above. The PSFS was reported to be valid, reliable, and responsive in populations with knee dysfunction, cervical radiculopathy, acute low back pain, mechanical low back pain, and neck dysfunction. The PSFS was found to be reliable and responsive in populations with chronic low back pain. The PSFS was also reported to be valid, reliable, or responsive in individuals with a limited number of acute, subacute, and chronic conditions. This review found that the PSFS is also being used as an outcome measure in many other conditions, despite a lack of published evidence supporting its validity in these conditions. Although the use of the PSFS as an outcome measure is increasing in physiotherapy practice, there are gaps in the research literature regarding its validity, reliability, and responsiveness in many health conditions.

  5. Functional Basis of Microorganism Classification.

    Science.gov (United States)

    Zhu, Chengsheng; Delmont, Tom O; Vogel, Timothy M; Bromberg, Yana

    2015-08-01

    Correctly identifying nearest "neighbors" of a given microorganism is important in industrial and clinical applications where close relationships imply similar treatment. Microbial classification based on similarity of physiological and genetic organism traits (polyphasic similarity) is experimentally difficult and, arguably, subjective. Evolutionary relatedness, inferred from phylogenetic markers, facilitates classification but does not guarantee functional identity between members of the same taxon or lack of similarity between different taxa. Using over thirteen hundred sequenced bacterial genomes, we built a novel function-based microorganism classification scheme, functional-repertoire similarity-based organism network (FuSiON; flattened to fusion). Our scheme is phenetic, based on a network of quantitatively defined organism relationships across the known prokaryotic space. It correlates significantly with the current taxonomy, but the observed discrepancies reveal both (1) the inconsistency of functional diversity levels among different taxa and (2) an (unsurprising) bias towards prioritizing, for classification purposes, relatively minor traits of particular interest to humans. Our dynamic network-based organism classification is independent of the arbitrary pairwise organism similarity cut-offs traditionally applied to establish taxonomic identity. Instead, it reveals natural, functionally defined organism groupings and is thus robust in handling organism diversity. Additionally, fusion can use organism meta-data to highlight the specific environmental factors that drive microbial diversification. Our approach provides a complementary view to cladistic assignments and holds important clues for further exploration of microbial lifestyles. Fusion is a more practical fit for biomedical, industrial, and ecological applications, as many of these rely on understanding the functional capabilities of the microbes in their environment and are less concerned with

  6. Functional Basis of Microorganism Classification

    Science.gov (United States)

    Zhu, Chengsheng; Delmont, Tom O.; Vogel, Timothy M.; Bromberg, Yana

    2015-01-01

    Correctly identifying nearest “neighbors” of a given microorganism is important in industrial and clinical applications where close relationships imply similar treatment. Microbial classification based on similarity of physiological and genetic organism traits (polyphasic similarity) is experimentally difficult and, arguably, subjective. Evolutionary relatedness, inferred from phylogenetic markers, facilitates classification but does not guarantee functional identity between members of the same taxon or lack of similarity between different taxa. Using over thirteen hundred sequenced bacterial genomes, we built a novel function-based microorganism classification scheme, functional-repertoire similarity-based organism network (FuSiON; flattened to fusion). Our scheme is phenetic, based on a network of quantitatively defined organism relationships across the known prokaryotic space. It correlates significantly with the current taxonomy, but the observed discrepancies reveal both (1) the inconsistency of functional diversity levels among different taxa and (2) an (unsurprising) bias towards prioritizing, for classification purposes, relatively minor traits of particular interest to humans. Our dynamic network-based organism classification is independent of the arbitrary pairwise organism similarity cut-offs traditionally applied to establish taxonomic identity. Instead, it reveals natural, functionally defined organism groupings and is thus robust in handling organism diversity. Additionally, fusion can use organism meta-data to highlight the specific environmental factors that drive microbial diversification. Our approach provides a complementary view to cladistic assignments and holds important clues for further exploration of microbial lifestyles. Fusion is a more practical fit for biomedical, industrial, and ecological applications, as many of these rely on understanding the functional capabilities of the microbes in their environment and are less concerned

  7. The Matlab Radial Basis Function Toolbox

    Directory of Open Access Journals (Sweden)

    Scott A. Sarra

    2017-03-01

    Full Text Available Radial Basis Function (RBF methods are important tools for scattered data interpolation and for the solution of Partial Differential Equations in complexly shaped domains. The most straight forward approach used to evaluate the methods involves solving a linear system which is typically poorly conditioned. The Matlab Radial Basis Function toolbox features a regularization method for the ill-conditioned system, extended precision floating point arithmetic, and symmetry exploitation for the purpose of reducing flop counts of the associated numerical linear algebra algorithms.

  8. Doubly stochastic radial basis function methods

    Science.gov (United States)

    Yang, Fenglian; Yan, Liang; Ling, Leevan

    2018-06-01

    We propose a doubly stochastic radial basis function (DSRBF) method for function recoveries. Instead of a constant, we treat the RBF shape parameters as stochastic variables whose distribution were determined by a stochastic leave-one-out cross validation (LOOCV) estimation. A careful operation count is provided in order to determine the ranges of all the parameters in our methods. The overhead cost for setting up the proposed DSRBF method is O (n2) for function recovery problems with n basis. Numerical experiments confirm that the proposed method not only outperforms constant shape parameter formulation (in terms of accuracy with comparable computational cost) but also the optimal LOOCV formulation (in terms of both accuracy and computational cost).

  9. Learning Methods for Radial Basis Functions Networks

    Czech Academy of Sciences Publication Activity Database

    Neruda, Roman; Kudová, Petra

    2005-01-01

    Roč. 21, - (2005), s. 1131-1142 ISSN 0167-739X R&D Projects: GA ČR GP201/03/P163; GA ČR GA201/02/0428 Institutional research plan: CEZ:AV0Z10300504 Keywords : radial basis function networks * hybrid supervised learning * genetic algorithms * benchmarking Subject RIV: BA - General Mathematics Impact factor: 0.555, year: 2005

  10. Fast radial basis functions for engineering applications

    CERN Document Server

    Biancolini, Marco Evangelos

    2017-01-01

    This book presents the first “How To” guide to the use of radial basis functions (RBF). It provides a clear vision of their potential, an overview of ready-for-use computational tools and precise guidelines to implement new engineering applications of RBF. Radial basis functions (RBF) are a mathematical tool mature enough for useful engineering applications. Their mathematical foundation is well established and the tool has proven to be effective in many fields, as the mathematical framework can be adapted in several ways. A candidate application can be faced considering the features of RBF:  multidimensional space (including 2D and 3D), numerous radial functions available, global and compact support, interpolation/regression. This great flexibility makes RBF attractive – and their great potential has only been partially discovered. This is because of the difficulty in taking a first step toward RBF as they are not commonly part of engineers’ cultural background, but also due to the numerical complex...

  11. Spherical radial basis functions, theory and applications

    CERN Document Server

    Hubbert, Simon; Morton, Tanya M

    2015-01-01

    This book is the first to be devoted to the theory and applications of spherical (radial) basis functions (SBFs), which is rapidly emerging as one of the most promising techniques for solving problems where approximations are needed on the surface of a sphere. The aim of the book is to provide enough theoretical and practical details for the reader to be able to implement the SBF methods to solve real world problems. The authors stress the close connection between the theory of SBFs and that of the more well-known family of radial basis functions (RBFs), which are well-established tools for solving approximation theory problems on more general domains. The unique solvability of the SBF interpolation method for data fitting problems is established and an in-depth investigation of its accuracy is provided. Two chapters are devoted to partial differential equations (PDEs). One deals with the practical implementation of an SBF-based solution to an elliptic PDE and another which describes an SBF approach for solvi...

  12. A genetic basis for functional hypothalamic amenorrhea.

    OpenAIRE

    Caronia, L.M.; Martin, C.; Welt, C.K.; Sykiotis, G.P.; Quinton, R.; Thambundit, A.; Avbelj, M.; Dhruvakumar, S.; Plummer, L.; Hughes, V.A.; Seminara, S.B.; Boepple, P.A.; Sidis, Y.; Crowley, W.F.; Martin, K.A.

    2011-01-01

    Background: Functional hypothalamic amenorrhea is a reversible form of gonadotropin-releasing hormone (GnRH) deficiency commonly triggered by stressors such as excessive exercise, nutritional deficits, or psychological distress. Women vary in their susceptibility to inhibition of the reproductive axis by such stressors, but it is unknown whether this variability reflects a genetic predisposition to hypothalamic amenorrhea. We hypothesized that mutations in genes involved in idiopathic hypogon...

  13. Wearable sensors for patient-specific boundary shape estimation to improve the forward model for electrical impedance tomography (EIT) of neonatal lung function.

    Science.gov (United States)

    Khor, Joo Moy; Tizzard, Andrew; Demosthenous, Andreas; Bayford, Richard

    2014-06-01

    Electrical impedance tomography (EIT) could be significantly advantageous to continuous monitoring of lung development in newborn and, in particular, preterm infants as it is non-invasive and safe to use within the intensive care unit. It has been demonstrated that accurate boundary form of the forward model is important to minimize artefacts in reconstructed electrical impedance images. This paper presents the outcomes of initial investigations for acquiring patient-specific thorax boundary information using a network of flexible sensors that imposes no restrictions on the patient's normal breathing and movements. The investigations include: (1) description of the basis of the reconstruction algorithms, (2) tests to determine a minimum number of bend sensors, (3) validation of two approaches to reconstruction and (4) an example of a commercially available bend sensor and its performance. Simulation results using ideal sensors show that, in the worst case, a total shape error of less than 6% with respect to its total perimeter can be achieved.

  14. A Genetic Basis for Functional Hypothalamic Amenorrhea

    Science.gov (United States)

    Caronia, Lisa M.; Martin, Cecilia; Welt, Corrine K.; Sykiotis, Gerasimos P.; Quinton, Richard; Thambundit, Apisadaporn; Avbelj, Magdalena; Dhruvakumar, Sadhana; Plummer, Lacey; Hughes, Virginia A.; Seminara, Stephanie B.; Boepple, Paul A.; Sidis, Yisrael; Crowley, William F.; Martin, Kathryn A.; Hall, Janet E.; Pitteloud, Nelly

    2011-01-01

    BACKGROUND Functional hypothalamic amenorrhea is a reversible form of gonadotropin-releasing hormone (GnRH) deficiency commonly triggered by stressors such as excessive exercise, nutritional deficits, or psychological distress. Women vary in their susceptibility to inhibition of the reproductive axis by such stressors, but it is unknown whether this variability reflects a genetic predisposition to hypothalamic amenorrhea. We hypothesized that mutations in genes involved in idiopathic hypogonadotropic hypogonadism, a congenital form of GnRH deficiency, are associated with hypothalamic amenorrhea. METHODS We analyzed the coding sequence of genes associated with idiopathic hypogonadotropic hypogonadism in 55 women with hypothalamic amenorrhea and performed in vitro studies of the identified mutations. RESULTS Six heterozygous mutations were identified in 7 of the 55 patients with hypothalamic amenorrhea: two variants in the fibroblast growth factor receptor 1 gene FGFR1 (G260E and R756H), two in the prokineticin receptor 2 gene PROKR2 (R85H and L173R), one in the GnRH receptor gene GNRHR (R262Q), and one in the Kall-mann syndrome 1 sequence gene KAL1 (V371I). No mutations were found in a cohort of 422 controls with normal menstrual cycles. In vitro studies showed that FGFR1 G260E, FGFR1 R756H, and PROKR2 R85H are loss-of-function mutations, as has been previously shown for PROKR2 L173R and GNRHR R262Q. CONCLUSIONS Rare variants in genes associated with idiopathic hypogonadotropic hypogonadism are found in women with hypothalamic amenorrhea, suggesting that these mutations may contribute to the variable susceptibility of women to the functional changes in GnRH secretion that characterize hypothalamic amenorrhea. Our observations provide evidence for the role of rare variants in common multifactorial disease. (Funded by the Eunice Kennedy Shriver National Institute of Child Health and Human Development and others; ClinicalTrials.gov number, NCT00494169.) PMID:21247312

  15. A genetic basis for functional hypothalamic amenorrhea.

    Science.gov (United States)

    Caronia, Lisa M; Martin, Cecilia; Welt, Corrine K; Sykiotis, Gerasimos P; Quinton, Richard; Thambundit, Apisadaporn; Avbelj, Magdalena; Dhruvakumar, Sadhana; Plummer, Lacey; Hughes, Virginia A; Seminara, Stephanie B; Boepple, Paul A; Sidis, Yisrael; Crowley, William F; Martin, Kathryn A; Hall, Janet E; Pitteloud, Nelly

    2011-01-20

    Functional hypothalamic amenorrhea is a reversible form of gonadotropin-releasing hormone (GnRH) deficiency commonly triggered by stressors such as excessive exercise, nutritional deficits, or psychological distress. Women vary in their susceptibility to inhibition of the reproductive axis by such stressors, but it is unknown whether this variability reflects a genetic predisposition to hypothalamic amenorrhea. We hypothesized that mutations in genes involved in idiopathic hypogonadotropic hypogonadism, a congenital form of GnRH deficiency, are associated with hypothalamic amenorrhea. We analyzed the coding sequence of genes associated with idiopathic hypogonadotropic hypogonadism in 55 women with hypothalamic amenorrhea and performed in vitro studies of the identified mutations. Six heterozygous mutations were identified in 7 of the 55 patients with hypothalamic amenorrhea: two variants in the fibroblast growth factor receptor 1 gene FGFR1 (G260E and R756H), two in the prokineticin receptor 2 gene PROKR2 (R85H and L173R), one in the GnRH receptor gene GNRHR (R262Q), and one in the Kallmann syndrome 1 sequence gene KAL1 (V371I). No mutations were found in a cohort of 422 controls with normal menstrual cycles. In vitro studies showed that FGFR1 G260E, FGFR1 R756H, and PROKR2 R85H are loss-of-function mutations, as has been previously shown for PROKR2 L173R and GNRHR R262Q. Rare variants in genes associated with idiopathic hypogonadotropic hypogonadism are found in women with hypothalamic amenorrhea, suggesting that these mutations may contribute to the variable susceptibility of women to the functional changes in GnRH secretion that characterize hypothalamic amenorrhea. Our observations provide evidence for the role of rare variants in common multifactorial disease. (Funded by the Eunice Kennedy Shriver National Institute of Child Health and Human Development and others; ClinicalTrials.gov number, NCT00494169.).

  16. Using piecewise sinusoidal basis functions to blanket multiple wire segments

    CSIR Research Space (South Africa)

    Lysko, AA

    2009-06-01

    Full Text Available This paper discusses application of the piecewise sinusoidal (PWS) basis function (BF) over a chain of several wire segments, for example as a multiple domain basis function. The usage of PWS BF is compared to results based on the piecewise linear...

  17. Point Set Denoising Using Bootstrap-Based Radial Basis Function.

    Directory of Open Access Journals (Sweden)

    Khang Jie Liew

    Full Text Available This paper examines the application of a bootstrap test error estimation of radial basis functions, specifically thin-plate spline fitting, in surface smoothing. The presence of noisy data is a common issue of the point set model that is generated from 3D scanning devices, and hence, point set denoising is one of the main concerns in point set modelling. Bootstrap test error estimation, which is applied when searching for the smoothing parameters of radial basis functions, is revisited. The main contribution of this paper is a smoothing algorithm that relies on a bootstrap-based radial basis function. The proposed method incorporates a k-nearest neighbour search and then projects the point set to the approximated thin-plate spline surface. Therefore, the denoising process is achieved, and the features are well preserved. A comparison of the proposed method with other smoothing methods is also carried out in this study.

  18. Point Set Denoising Using Bootstrap-Based Radial Basis Function.

    Science.gov (United States)

    Liew, Khang Jie; Ramli, Ahmad; Abd Majid, Ahmad

    2016-01-01

    This paper examines the application of a bootstrap test error estimation of radial basis functions, specifically thin-plate spline fitting, in surface smoothing. The presence of noisy data is a common issue of the point set model that is generated from 3D scanning devices, and hence, point set denoising is one of the main concerns in point set modelling. Bootstrap test error estimation, which is applied when searching for the smoothing parameters of radial basis functions, is revisited. The main contribution of this paper is a smoothing algorithm that relies on a bootstrap-based radial basis function. The proposed method incorporates a k-nearest neighbour search and then projects the point set to the approximated thin-plate spline surface. Therefore, the denoising process is achieved, and the features are well preserved. A comparison of the proposed method with other smoothing methods is also carried out in this study.

  19. Closed fringe demodulation using phase decomposition by Fourier basis functions.

    Science.gov (United States)

    Kulkarni, Rishikesh; Rastogi, Pramod

    2016-06-01

    We report a new technique for the demodulation of a closed fringe pattern by representing the phase as a weighted linear combination of a certain number of linearly independent Fourier basis functions in a given row/column at a time. A state space model is developed with the weights of the basis functions as the elements of the state vector. The iterative extended Kalman filter is effectively utilized for the robust estimation of the weights. A coarse estimate of the fringe density based on the fringe frequency map is used to determine the initial row/column to start with and subsequently the optimal number of basis functions. The performance of the proposed method is evaluated with several noisy fringe patterns. Experimental results are also reported to support the practical applicability of the proposed method.

  20. Speech/Nonspeech Detection Using Minimal Walsh Basis Functions

    Directory of Open Access Journals (Sweden)

    Pwint Moe

    2007-01-01

    Full Text Available This paper presents a new method to detect speech/nonspeech components of a given noisy signal. Employing the combination of binary Walsh basis functions and an analysis-synthesis scheme, the original noisy speech signal is modified first. From the modified signals, the speech components are distinguished from the nonspeech components by using a simple decision scheme. Minimal number of Walsh basis functions to be applied is determined using singular value decomposition (SVD. The main advantages of the proposed method are low computational complexity, less parameters to be adjusted, and simple implementation. It is observed that the use of Walsh basis functions makes the proposed algorithm efficiently applicable in real-world situations where processing time is crucial. Simulation results indicate that the proposed algorithm achieves high-speech and nonspeech detection rates while maintaining a low error rate for different noisy conditions.

  1. Gaussian basis functions for highly oscillatory scattering wavefunctions

    Science.gov (United States)

    Mant, B. P.; Law, M. M.

    2018-04-01

    We have applied a basis set of distributed Gaussian functions within the S-matrix version of the Kohn variational method to scattering problems involving deep potential energy wells. The Gaussian positions and widths are tailored to the potential using the procedure of Bačić and Light (1986 J. Chem. Phys. 85 4594) which has previously been applied to bound-state problems. The placement procedure is shown to be very efficient and gives scattering wavefunctions and observables in agreement with direct numerical solutions. We demonstrate the basis function placement method with applications to hydrogen atom–hydrogen atom scattering and antihydrogen atom–hydrogen atom scattering.

  2. Optimal Piecewise Linear Basis Functions in Two Dimensions

    Energy Technology Data Exchange (ETDEWEB)

    Brooks III, E D; Szoke, A

    2009-01-26

    We use a variational approach to optimize the center point coefficients associated with the piecewise linear basis functions introduced by Stone and Adams [1], for polygonal zones in two Cartesian dimensions. Our strategy provides optimal center point coefficients, as a function of the location of the center point, by minimizing the error induced when the basis function interpolation is used for the solution of the time independent diffusion equation within the polygonal zone. By using optimal center point coefficients, one expects to minimize the errors that occur when these basis functions are used to discretize diffusion equations, or transport equations in optically thick zones (where they approach the solution of the diffusion equation). Our optimal center point coefficients satisfy the requirements placed upon the basis functions for any location of the center point. We also find that the location of the center point can be optimized, but this requires numerical calculations. Curiously, the optimum center point location is independent of the values of the dependent variable on the corners only for quadrilaterals.

  3. Optimal choice of basis functions in the linear regression analysis

    International Nuclear Information System (INIS)

    Khotinskij, A.M.

    1988-01-01

    Problem of optimal choice of basis functions in the linear regression analysis is investigated. Step algorithm with estimation of its efficiency, which holds true at finite number of measurements, is suggested. Conditions, providing the probability of correct choice close to 1 are formulated. Application of the step algorithm to analysis of decay curves is substantiated. 8 refs

  4. Radial basis function neural network in fault detection of automotive ...

    African Journals Online (AJOL)

    Radial basis function neural network in fault detection of automotive engines. ... Five faults have been simulated on the MVEM, including three sensor faults, one component fault and one actuator fault. The three sensor faults ... Keywords: Automotive engine, independent RBFNN model, RBF neural network, fault detection

  5. Radial Basis Function Based Quadrature over Smooth Surfaces

    Science.gov (United States)

    2016-03-24

    Radial Basis Functions φ(r) Piecewise Smooth (Conditionally Positive Definite) MN Monomial |r|2m+1 TPS thin plate spline |r|2mln|r| Infinitely Smooth...smooth surfaces using polynomial interpolants, while [27] couples Thin - Plate Spline interpolation (see table 1) with Green’s integral formula [29

  6. Large-Eddy Simulation Using Projection onto Local Basis Functions

    Science.gov (United States)

    Pope, S. B.

    In the traditional approach to LES for inhomogeneous flows, the resolved fields are obtained by a filtering operation (with filter width Delta). The equations governing the resolved fields are then partial differential equations, which are solved numerically (on a grid of spacing h). For an LES computation of a given magnitude (i.e., given h), there are conflicting considerations in the choice of Delta: to resolve a large range of turbulent motions, Delta should be small; to solve the equations with numerical accuracy, Delta should be large. In the alternative approach advanced here, this conflict is avoided. The resolved fields are defined by projection onto local basis functions, so that the governing equations are ordinary differential equations for the evolution of the basis-function coefficients. There is no issue of numerical spatial discretization errors. A general methodology for modelling the effects of the residual motions is developed. The model is based directly on the basis-function coefficients, and its effect is to smooth the fields where their rates of change are not well resolved by the basis functions. Demonstration calculations are performed for Burgers' equation.

  7. Higher-Order Hierarchical Legendre Basis Functions in Applications

    DEFF Research Database (Denmark)

    Kim, Oleksiy S.; Jørgensen, Erik; Meincke, Peter

    2007-01-01

    The higher-order hierarchical Legendre basis functions have been developed for effective solution of integral equations with the method of moments. They are derived from orthogonal Legendre polynomials modified to enforce normal continuity between neighboring mesh elements, while preserving a high...

  8. Diffusion Forecasting Model with Basis Functions from QR-Decomposition

    Science.gov (United States)

    Harlim, John; Yang, Haizhao

    2017-12-01

    The diffusion forecasting is a nonparametric approach that provably solves the Fokker-Planck PDE corresponding to Itô diffusion without knowing the underlying equation. The key idea of this method is to approximate the solution of the Fokker-Planck equation with a discrete representation of the shift (Koopman) operator on a set of basis functions generated via the diffusion maps algorithm. While the choice of these basis functions is provably optimal under appropriate conditions, computing these basis functions is quite expensive since it requires the eigendecomposition of an N× N diffusion matrix, where N denotes the data size and could be very large. For large-scale forecasting problems, only a few leading eigenvectors are computationally achievable. To overcome this computational bottleneck, a new set of basis functions constructed by orthonormalizing selected columns of the diffusion matrix and its leading eigenvectors is proposed. This computation can be carried out efficiently via the unpivoted Householder QR factorization. The efficiency and effectiveness of the proposed algorithm will be shown in both deterministically chaotic and stochastic dynamical systems; in the former case, the superiority of the proposed basis functions over purely eigenvectors is significant, while in the latter case forecasting accuracy is improved relative to using a purely small number of eigenvectors. Supporting arguments will be provided on three- and six-dimensional chaotic ODEs, a three-dimensional SDE that mimics turbulent systems, and also on the two spatial modes associated with the boreal winter Madden-Julian Oscillation obtained from applying the Nonlinear Laplacian Spectral Analysis on the measured Outgoing Longwave Radiation.

  9. Surface interpolation with radial basis functions for medical imaging

    International Nuclear Information System (INIS)

    Carr, J.C.; Beatson, R.K.; Fright, W.R.

    1997-01-01

    Radial basis functions are presented as a practical solution to the problem of interpolating incomplete surfaces derived from three-dimensional (3-D) medical graphics. The specific application considered is the design of cranial implants for the repair of defects, usually holes, in the skull. Radial basis functions impose few restrictions on the geometry of the interpolation centers and are suited to problems where interpolation centers do not form a regular grid. However, their high computational requirements have previously limited their use to problems where the number of interpolation centers is small (<300). Recently developed fast evaluation techniques have overcome these limitations and made radial basis interpolation a practical approach for larger data sets. In this paper radial basis functions are fitted to depth-maps of the skull's surface, obtained from X-ray computed tomography (CT) data using ray-tracing techniques. They are used to smoothly interpolate the surface of the skull across defect regions. The resulting mathematical description of the skull's surface can be evaluated at any desired resolution to be rendered on a graphics workstation or to generate instructions for operating a computer numerically controlled (CNC) mill

  10. Quantum phase space with a basis of Wannier functions

    Science.gov (United States)

    Fang, Yuan; Wu, Fan; Wu, Biao

    2018-02-01

    A quantum phase space with Wannier basis is constructed: (i) classical phase space is divided into Planck cells; (ii) a complete set of Wannier functions are constructed with the combination of Kohn’s method and Löwdin method such that each Wannier function is localized at a Planck cell. With these Wannier functions one can map a wave function unitarily onto phase space. Various examples are used to illustrate our method and compare it to Wigner function. The advantage of our method is that it can smooth out the oscillations in wave functions without losing any information and is potentially a better tool in studying quantum-classical correspondence. In addition, we point out that our method can be used for time-frequency analysis of signals.

  11. Compactly Supported Basis Functions as Support Vector Kernels for Classification.

    Science.gov (United States)

    Wittek, Peter; Tan, Chew Lim

    2011-10-01

    Wavelet kernels have been introduced for both support vector regression and classification. Most of these wavelet kernels do not use the inner product of the embedding space, but use wavelets in a similar fashion to radial basis function kernels. Wavelet analysis is typically carried out on data with a temporal or spatial relation between consecutive data points. We argue that it is possible to order the features of a general data set so that consecutive features are statistically related to each other, thus enabling us to interpret the vector representation of an object as a series of equally or randomly spaced observations of a hypothetical continuous signal. By approximating the signal with compactly supported basis functions and employing the inner product of the embedding L2 space, we gain a new family of wavelet kernels. Empirical results show a clear advantage in favor of these kernels.

  12. Accuracy of fibula reconstruction using patient-specific CAD/CAM reconstruction plates and dental implants : A new modality for functional reconstruction of mandibular defects

    NARCIS (Netherlands)

    Schepers, Rutger H.; Raghoebar, Gerry M.; Vissink, Arjan; Stenekes, Martin W.; Kraeima, Joep; Roodenburg, Jan L.; Reintsema, Harry; Witjes, Max J.

    Background: The purpose of this study was to analyze the accuracy of mandibular reconstruction using patient-specific computer-aided designed and computer-aided manufactured (CAD/CAM) reconstruction plates as a guide to place fibula grafts and dental implants in a one-stage procedure using

  13. Complexity of Gaussian-Radial-Basis Networks Approximating Smooth Functions

    Czech Academy of Sciences Publication Activity Database

    Kainen, P.C.; Kůrková, Věra; Sanguineti, M.

    2009-01-01

    Roč. 25, č. 1 (2009), s. 63-74 ISSN 0885-064X R&D Projects: GA ČR GA201/08/1744 Institutional research plan: CEZ:AV0Z10300504 Keywords : Gaussian-radial-basis-function networks * rates of approximation * model complexity * variation norms * Bessel and Sobolev norms * tractability of approximation Subject RIV: IN - Informatics, Computer Science Impact factor: 1.227, year: 2009

  14. Application of the Characteristic Basis Function Method Using CUDA

    Directory of Open Access Journals (Sweden)

    Juan Ignacio Pérez

    2014-01-01

    Full Text Available The characteristic basis function method (CBFM is a popular technique for efficiently solving the method of moments (MoM matrix equations. In this work, we address the adaptation of this method to a relatively new computing infrastructure provided by NVIDIA, the Compute Unified Device Architecture (CUDA, and take into account some of the limitations which appear when the geometry under analysis becomes too big to fit into the Graphics Processing Unit’s (GPU’s memory.

  15. On-line learning in radial basis functions networks

    OpenAIRE

    Freeman, Jason; Saad, David

    1997-01-01

    An analytic investigation of the average case learning and generalization properties of Radial Basis Function Networks (RBFs) is presented, utilising on-line gradient descent as the learning rule. The analytic method employed allows both the calculation of generalization error and the examination of the internal dynamics of the network. The generalization error and internal dynamics are then used to examine the role of the learning rate and the specialization of the hidden units, which gives ...

  16. Modeling Marine Electromagnetic Survey with Radial Basis Function Networks

    Directory of Open Access Journals (Sweden)

    Agus Arif

    2014-11-01

    Full Text Available A marine electromagnetic survey is an engineering endeavour to discover the location and dimension of a hydrocarbon layer under an ocean floor. In this kind of survey, an array of electric and magnetic receivers are located on the sea floor and record the scattered, refracted and reflected electromagnetic wave, which has been transmitted by an electric dipole antenna towed by a vessel. The data recorded in receivers must be processed and further analysed to estimate the hydrocarbon location and dimension. To conduct those analyses successfuly, a radial basis function (RBF network could be employed to become a forward model of the input-output relationship of the data from a marine electromagnetic survey. This type of neural networks is working based on distances between its inputs and predetermined centres of some basis functions. A previous research had been conducted to model the same marine electromagnetic survey using another type of neural networks, which is a multi layer perceptron (MLP network. By comparing their validation and training performances (mean-squared errors and correlation coefficients, it is concluded that, in this case, the MLP network is comparatively better than the RBF network[1].[1] This manuscript is an extended version of our previous paper, entitled Radial Basis Function Networks for Modeling Marine Electromagnetic Survey, which had been presented on 2011 International Conference on Electrical Engineering and Informatics, 17-19 July 2011, Bandung, Indonesia.

  17. Radial basis function and its application in tourism management

    Science.gov (United States)

    Hu, Shan-Feng; Zhu, Hong-Bin; Zhao, Lei

    2018-05-01

    In this work, several applications and the performances of the radial basis function (RBF) are briefly reviewed at first. After that, the binomial function combined with three different RBFs including the multiquadric (MQ), inverse quadric (IQ) and inverse multiquadric (IMQ) distributions are adopted to model the tourism data of Huangshan in China. Simulation results showed that all the models match very well with the sample data. It is found that among the three models, the IMQ-RBF model is more suitable for forecasting the tourist flow.

  18. Radial Basis Function Networks for Conversion of Sound Spectra

    Directory of Open Access Journals (Sweden)

    Carlo Drioli

    2001-03-01

    Full Text Available In many advanced signal processing tasks, such as pitch shifting, voice conversion or sound synthesis, accurate spectral processing is required. Here, the use of Radial Basis Function Networks (RBFN is proposed for the modeling of the spectral changes (or conversions related to the control of important sound parameters, such as pitch or intensity. The identification of such conversion functions is based on a procedure which learns the shape of the conversion from few couples of target spectra from a data set. The generalization properties of RBFNs provides for interpolation with respect to the pitch range. In the construction of the training set, mel-cepstral encoding of the spectrum is used to catch the perceptually most relevant spectral changes. Moreover, a singular value decomposition (SVD approach is used to reduce the dimension of conversion functions. The RBFN conversion functions introduced are characterized by a perceptually-based fast training procedure, desirable interpolation properties and computational efficiency.

  19. Practical auxiliary basis implementation of Rung 3.5 functionals

    International Nuclear Information System (INIS)

    Janesko, Benjamin G.; Scalmani, Giovanni; Frisch, Michael J.

    2014-01-01

    Approximate exchange-correlation functionals for Kohn-Sham density functional theory often benefit from incorporating exact exchange. Exact exchange is constructed from the noninteracting reference system's nonlocal one-particle density matrix γ(r -vector ,r -vector ′). Rung 3.5 functionals attempt to balance the strengths and limitations of exact exchange using a new ingredient, a projection of γ(r -vector ,r -vector ′) onto a semilocal model density matrix γ SL (ρ(r -vector ),∇ρ(r -vector ),r -vector −r -vector ′). γ SL depends on the electron density ρ(r -vector ) at reference point r -vector , and is closely related to semilocal model exchange holes. We present a practical implementation of Rung 3.5 functionals, expanding the r -vector −r -vector ′ dependence of γ SL in an auxiliary basis set. Energies and energy derivatives are obtained from 3D numerical integration as in standard semilocal functionals. We also present numerical tests of a range of properties, including molecular thermochemistry and kinetics, geometries and vibrational frequencies, and bandgaps and excitation energies. Rung 3.5 functionals typically provide accuracy intermediate between semilocal and hybrid approximations. Nonlocal potential contributions from γ SL yield interesting successes and failures for band structures and excitation energies. The results enable and motivate continued exploration of Rung 3.5 functional forms

  20. Learning Mixtures of Truncated Basis Functions from Data

    DEFF Research Database (Denmark)

    Langseth, Helge; Nielsen, Thomas Dyhre; Pérez-Bernabé, Inmaculada

    2014-01-01

    In this paper we investigate methods for learning hybrid Bayesian networks from data. First we utilize a kernel density estimate of the data in order to translate the data into a mixture of truncated basis functions (MoTBF) representation using a convex optimization technique. When utilizing a ke...... propose an alternative learning method that relies on the cumulative distribution function of the data. Empirical results demonstrate the usefulness of the approaches: Even though the methods produce estimators that are slightly poorer than the state of the art (in terms of log......In this paper we investigate methods for learning hybrid Bayesian networks from data. First we utilize a kernel density estimate of the data in order to translate the data into a mixture of truncated basis functions (MoTBF) representation using a convex optimization technique. When utilizing......-likelihood), they are significantly faster, and therefore indicate that the MoTBF framework can be used for inference and learning in reasonably sized domains. Furthermore, we show how a particular sub- class of MoTBF potentials (learnable by the proposed methods) can be exploited to significantly reduce complexity during inference....

  1. Patient-specific surgical simulation.

    Science.gov (United States)

    Soler, Luc; Marescaux, Jacques

    2008-02-01

    Technological innovations of the twentieth century have provided medicine and surgery with new tools for education and therapy definition. Thus, by combining Medical Imaging and Virtual Reality, patient-specific applications providing preoperative surgical simulation have become possible.

  2. Recent advances in radial basis function collocation methods

    CERN Document Server

    Chen, Wen; Chen, C S

    2014-01-01

    This book surveys the latest advances in radial basis function (RBF) meshless collocation methods which emphasis on recent novel kernel RBFs and new numerical schemes for solving partial differential equations. The RBF collocation methods are inherently free of integration and mesh, and avoid tedious mesh generation involved in standard finite element and boundary element methods. This book focuses primarily on the numerical algorithms, engineering applications, and highlights a large class of novel boundary-type RBF meshless collocation methods. These methods have shown a clear edge over the traditional numerical techniques especially for problems involving infinite domain, moving boundary, thin-walled structures, and inverse problems. Due to the rapid development in RBF meshless collocation methods, there is a need to summarize all these new materials so that they are available to scientists, engineers, and graduate students who are interest to apply these newly developed methods for solving real world’s ...

  3. The Gaussian radial basis function method for plasma kinetic theory

    Energy Technology Data Exchange (ETDEWEB)

    Hirvijoki, E., E-mail: eero.hirvijoki@chalmers.se [Department of Applied Physics, Chalmers University of Technology, SE-41296 Gothenburg (Sweden); Candy, J.; Belli, E. [General Atomics, PO Box 85608, San Diego, CA 92186-5608 (United States); Embréus, O. [Department of Applied Physics, Chalmers University of Technology, SE-41296 Gothenburg (Sweden)

    2015-10-30

    Description of a magnetized plasma involves the Vlasov equation supplemented with the non-linear Fokker–Planck collision operator. For non-Maxwellian distributions, the collision operator, however, is difficult to compute. In this Letter, we introduce Gaussian Radial Basis Functions (RBFs) to discretize the velocity space of the entire kinetic system, and give the corresponding analytical expressions for the Vlasov and collision operator. Outlining the general theory, we also highlight the connection to plasma fluid theories, and give 2D and 3D numerical solutions of the non-linear Fokker–Planck equation. Applications are anticipated in both astrophysical and laboratory plasmas. - Highlights: • A radically new method to address the velocity space discretization of the non-linear kinetic equation of plasmas. • Elegant and physically intuitive, flexible and mesh-free. • Demonstration of numerical solution of both 2-D and 3-D non-linear Fokker–Planck relaxation problem.

  4. Adaptive radial basis function mesh deformation using data reduction

    Science.gov (United States)

    Gillebaart, T.; Blom, D. S.; van Zuijlen, A. H.; Bijl, H.

    2016-09-01

    Radial Basis Function (RBF) mesh deformation is one of the most robust mesh deformation methods available. Using the greedy (data reduction) method in combination with an explicit boundary correction, results in an efficient method as shown in literature. However, to ensure the method remains robust, two issues are addressed: 1) how to ensure that the set of control points remains an accurate representation of the geometry in time and 2) how to use/automate the explicit boundary correction, while ensuring a high mesh quality. In this paper, we propose an adaptive RBF mesh deformation method, which ensures the set of control points always represents the geometry/displacement up to a certain (user-specified) criteria, by keeping track of the boundary error throughout the simulation and re-selecting when needed. Opposed to the unit displacement and prescribed displacement selection methods, the adaptive method is more robust, user-independent and efficient, for the cases considered. Secondly, the analysis of a single high aspect ratio cell is used to formulate an equation for the correction radius needed, depending on the characteristics of the correction function used, maximum aspect ratio, minimum first cell height and boundary error. Based on the analysis two new radial basis correction functions are derived and proposed. This proposed automated procedure is verified while varying the correction function, Reynolds number (and thus first cell height and aspect ratio) and boundary error. Finally, the parallel efficiency is studied for the two adaptive methods, unit displacement and prescribed displacement for both the CPU as well as the memory formulation with a 2D oscillating and translating airfoil with oscillating flap, a 3D flexible locally deforming tube and deforming wind turbine blade. Generally, the memory formulation requires less work (due to the large amount of work required for evaluating RBF's), but the parallel efficiency reduces due to the limited

  5. Patient-Specific Computational Modeling

    CERN Document Server

    Peña, Estefanía

    2012-01-01

    This book addresses patient-specific modeling. It integrates computational modeling, experimental procedures, imagine clinical segmentation and mesh generation with the finite element method (FEM) to solve problems in computational biomedicine and bioengineering. Specific areas of interest include cardiovascular problems, ocular and muscular systems and soft tissue modeling. Patient-specific modeling has been the subject of serious research over the last seven years and interest in the area is continually growing and this area is expected to further develop in the near future.

  6. Global sensitivity analysis using a Gaussian Radial Basis Function metamodel

    International Nuclear Information System (INIS)

    Wu, Zeping; Wang, Donghui; Okolo N, Patrick; Hu, Fan; Zhang, Weihua

    2016-01-01

    Sensitivity analysis plays an important role in exploring the actual impact of adjustable parameters on response variables. Amongst the wide range of documented studies on sensitivity measures and analysis, Sobol' indices have received greater portion of attention due to the fact that they can provide accurate information for most models. In this paper, a novel analytical expression to compute the Sobol' indices is derived by introducing a method which uses the Gaussian Radial Basis Function to build metamodels of computationally expensive computer codes. Performance of the proposed method is validated against various analytical functions and also a structural simulation scenario. Results demonstrate that the proposed method is an efficient approach, requiring a computational cost of one to two orders of magnitude less when compared to the traditional Quasi Monte Carlo-based evaluation of Sobol' indices. - Highlights: • RBF based sensitivity analysis method is proposed. • Sobol' decomposition of Gaussian RBF metamodel is obtained. • Sobol' indices of Gaussian RBF metamodel are derived based on the decomposition. • The efficiency of proposed method is validated by some numerical examples.

  7. Generation of Optimal Basis Functions for Reconstruction of Power Distribution

    Energy Technology Data Exchange (ETDEWEB)

    Park, Moonghu [Sejong Univ., Seoul (Korea, Republic of)

    2014-05-15

    This study proposes GMDH to find not only the best functional form but also the optimal parameters those describe the power distribution most accurately. A total of 1,060 cases of axially 1-dimensional core power distributions of 20-nodes are generated by 3-dimensional core analysis code covering BOL to EOL core burnup histories to validate the method. Axially five-point box powers at in-core detectors are considered as measurements. The reconstructed axial power shapes using GMDH method are compared to the reference power shapes. The results show that the proposed method is very robust and accurate compared with spline fitting method. It is shown that the GMDH analysis can give optimal basis functions for core power shape reconstruction. The in-core measurements are the 5 detector snapshots and the 20-node power distribution is successfully reconstructed. The effectiveness of the method is demonstrated by comparing the results of spline fitting for BOL, saddle and top-skewed power shapes.

  8. Neuronal spike sorting based on radial basis function neural networks

    Directory of Open Access Journals (Sweden)

    Taghavi Kani M

    2011-02-01

    Full Text Available "nBackground: Studying the behavior of a society of neurons, extracting the communication mechanisms of brain with other tissues, finding treatment for some nervous system diseases and designing neuroprosthetic devices, require an algorithm to sort neuralspikes automatically. However, sorting neural spikes is a challenging task because of the low signal to noise ratio (SNR of the spikes. The main purpose of this study was to design an automatic algorithm for classifying neuronal spikes that are emitted from a specific region of the nervous system."n "nMethods: The spike sorting process usually consists of three stages: detection, feature extraction and sorting. We initially used signal statistics to detect neural spikes. Then, we chose a limited number of typical spikes as features and finally used them to train a radial basis function (RBF neural network to sort the spikes. In most spike sorting devices, these signals are not linearly discriminative. In order to solve this problem, the aforesaid RBF neural network was used."n "nResults: After the learning process, our proposed algorithm classified any arbitrary spike. The obtained results showed that even though the proposed Radial Basis Spike Sorter (RBSS reached to the same error as the previous methods, however, the computational costs were much lower compared to other algorithms. Moreover, the competitive points of the proposed algorithm were its good speed and low computational complexity."n "nConclusion: Regarding the results of this study, the proposed algorithm seems to serve the purpose of procedures that require real-time processing and spike sorting.

  9. Patient-specific models of cardiac biomechanics

    Science.gov (United States)

    Krishnamurthy, Adarsh; Villongco, Christopher T.; Chuang, Joyce; Frank, Lawrence R.; Nigam, Vishal; Belezzuoli, Ernest; Stark, Paul; Krummen, David E.; Narayan, Sanjiv; Omens, Jeffrey H.; McCulloch, Andrew D.; Kerckhoffs, Roy C. P.

    2013-07-01

    Patient-specific models of cardiac function have the potential to improve diagnosis and management of heart disease by integrating medical images with heterogeneous clinical measurements subject to constraints imposed by physical first principles and prior experimental knowledge. We describe new methods for creating three-dimensional patient-specific models of ventricular biomechanics in the failing heart. Three-dimensional bi-ventricular geometry is segmented from cardiac CT images at end-diastole from patients with heart failure. Human myofiber and sheet architecture is modeled using eigenvectors computed from diffusion tensor MR images from an isolated, fixed human organ-donor heart and transformed to the patient-specific geometric model using large deformation diffeomorphic mapping. Semi-automated methods were developed for optimizing the passive material properties while simultaneously computing the unloaded reference geometry of the ventricles for stress analysis. Material properties of active cardiac muscle contraction were optimized to match ventricular pressures measured by cardiac catheterization, and parameters of a lumped-parameter closed-loop model of the circulation were estimated with a circulatory adaptation algorithm making use of information derived from echocardiography. These components were then integrated to create a multi-scale model of the patient-specific heart. These methods were tested in five heart failure patients from the San Diego Veteran's Affairs Medical Center who gave informed consent. The simulation results showed good agreement with measured echocardiographic and global functional parameters such as ejection fraction and peak cavity pressures.

  10. Meshfree Local Radial Basis Function Collocation Method with Image Nodes

    Energy Technology Data Exchange (ETDEWEB)

    Baek, Seung Ki; Kim, Minjae [Pukyong National University, Busan (Korea, Republic of)

    2017-07-15

    We numerically solve two-dimensional heat diffusion problems by using a simple variant of the meshfree local radial-basis function (RBF) collocation method. The main idea is to include an additional set of sample nodes outside the problem domain, similarly to the method of images in electrostatics, to perform collocation on the domain boundaries. We can thereby take into account the temperature profile as well as its gradients specified by boundary conditions at the same time, which holds true even for a node where two or more boundaries meet with different boundary conditions. We argue that the image method is computationally efficient when combined with the local RBF collocation method, whereas the addition of image nodes becomes very costly in case of the global collocation. We apply our modified method to a benchmark test of a boundary value problem, and find that this simple modification reduces the maximum error from the analytic solution significantly. The reduction is small for an initial value problem with simpler boundary conditions. We observe increased numerical instability, which has to be compensated for by a sufficient number of sample nodes and/or more careful parameter choices for time integration.

  11. Complex basis functions for molecular resonances: Methodology and applications

    Science.gov (United States)

    White, Alec; McCurdy, C. William; Head-Gordon, Martin

    The computation of positions and widths of metastable electronic states is a challenge for molecular electronic structure theory because, in addition to the difficulty of the many-body problem, such states obey scattering boundary conditions. These resonances cannot be addressed with naïve application of traditional bound state electronic structure theory. Non-Hermitian electronic structure methods employing complex basis functions is one way that we may rigorously treat resonances within the framework of traditional electronic structure theory. In this talk, I will discuss our recent work in this area including the methodological extension from single determinant SCF-based approaches to highly correlated levels of wavefunction-based theory such as equation of motion coupled cluster and many-body perturbation theory. These approaches provide a hierarchy of theoretical methods for the computation of positions and widths of molecular resonances. Within this framework, we may also examine properties of resonances including the dependence of these parameters on molecular geometry. Some applications of these methods to temporary anions and dianions will also be discussed.

  12. Wavelets as basis functions in electronic structure calculations

    International Nuclear Information System (INIS)

    Chauvin, C.

    2005-11-01

    This thesis is devoted to the definition and the implementation of a multi-resolution method to determine the fundamental state of a system composed of nuclei and electrons. In this work, we are interested in the Density Functional Theory (DFT), which allows to express the Hamiltonian operator with the electronic density only, by a Coulomb potential and a non-linear potential. This operator acts on orbitals, which are solutions of the so-called Kohn-Sham equations. Their resolution needs to express orbitals and density on a set of functions owing both physical and numerical properties, as explained in the second chapter. One can hardly satisfy these two properties simultaneously, that is why we are interested in orthogonal and bi-orthogonal wavelets basis, whose properties of interpolation are presented in the third chapter. We present in the fourth chapter three dimensional solvers for the Coulomb's potential, using not only the preconditioning property of wavelets, but also a multigrid algorithm. Determining this potential allows us to solve the self-consistent Kohn-Sham equations, by an algorithm presented in chapter five. The originality of our method consists in the construction of the stiffness matrix, combining a Galerkin formulation and a collocation scheme. We analyse the approximation properties of this method in case of linear Hamiltonian, such as harmonic oscillator and hydrogen, and present convergence results of the DFT for small electrons. Finally we show how orbital compression reduces considerably the number of coefficients to keep, while preserving a good accuracy of the fundamental energy. (author)

  13. Efficient Bayesian hierarchical functional data analysis with basis function approximations using Gaussian-Wishart processes.

    Science.gov (United States)

    Yang, Jingjing; Cox, Dennis D; Lee, Jong Soo; Ren, Peng; Choi, Taeryon

    2017-12-01

    Functional data are defined as realizations of random functions (mostly smooth functions) varying over a continuum, which are usually collected on discretized grids with measurement errors. In order to accurately smooth noisy functional observations and deal with the issue of high-dimensional observation grids, we propose a novel Bayesian method based on the Bayesian hierarchical model with a Gaussian-Wishart process prior and basis function representations. We first derive an induced model for the basis-function coefficients of the functional data, and then use this model to conduct posterior inference through Markov chain Monte Carlo methods. Compared to the standard Bayesian inference that suffers serious computational burden and instability in analyzing high-dimensional functional data, our method greatly improves the computational scalability and stability, while inheriting the advantage of simultaneously smoothing raw observations and estimating the mean-covariance functions in a nonparametric way. In addition, our method can naturally handle functional data observed on random or uncommon grids. Simulation and real studies demonstrate that our method produces similar results to those obtainable by the standard Bayesian inference with low-dimensional common grids, while efficiently smoothing and estimating functional data with random and high-dimensional observation grids when the standard Bayesian inference fails. In conclusion, our method can efficiently smooth and estimate high-dimensional functional data, providing one way to resolve the curse of dimensionality for Bayesian functional data analysis with Gaussian-Wishart processes. © 2017, The International Biometric Society.

  14. Functional imaging using computer methods to compare the effect of salbutamol and ipratropium bromide in patient-specific airway models of COPD

    Directory of Open Access Journals (Sweden)

    De Backer LA

    2011-11-01

    Full Text Available LA De Backer1, WG Vos2, R Salgado3, JW De Backer2, A Devolder1, SL Verhulst1, R Claes1, PR Germonpré1, WA De Backer11Department of Respiratory Medicine, 2FluidDA, 3Department of Radiology, Antwerp University Hospital, Antwerp, BelgiumBackground: Salbutamol and ipratropium bromide improve lung function in patients with chronic obstructive pulmonary disease (COPD. However, their bronchodilating effect has not yet been compared in the central and distal airways. Functional imaging using computational fluid dynamics offers the possibility of making such a comparison. The objective of this study was to assess the effects of salbutamol and ipratropium bromide on the geometry and computational fluid dynamics-based resistance of the central and distal airways.Methods: Five patients with Global Initiative for Chronic Obstructive Lung Disease Stage III COPD were randomized to a single dose of salbutamol or ipratropium bromide in a crossover manner with a 1-week interval between treatments. Patients underwent lung function testing and a multislice computed tomography scan of the thorax that was used for functional imaging. Two hours after dosing, the patients again underwent lung function tests and repeat computed tomography.Results: Lung function parameters, including forced expiratory volume in 1 second, vital capacity, overall airway resistance, and specific airway resistance, changed significantly after administration of each product. On functional imaging, the bronchodilating effect was greater in the distal airways, with a corresponding drop in airway resistance, compared with the central airways. Salbutamol and ipratropium bromide were equally effective at first glance when looking at lung function tests, but when viewed in more detail with functional imaging, hyporesponsiveness could be shown for salbutamol in one patient. Salbutamol was more effective in the other patients.Conclusion: This pilot study gives an innovative insight into the modes of

  15. Problem-Matched Basis Functions for Microstrip Coupled Slot Antennas based on Transmission Line Greens Functions

    NARCIS (Netherlands)

    Bruni, S.; Llombart Juan, N.; Neto, A.; Gerini, G.; Maci, S.

    2004-01-01

    A general algorithm for the analysis of microstrip coupled leaky wave slot antennas was discussed. The method was based on the construction of physically appealing entire domain Methods of Moments (MoM) basis function that allowed a consistent reduction of the number of unknowns and of total

  16. Organisms modeling: The question of radial basis function networks

    Directory of Open Access Journals (Sweden)

    Muzy Alexandre

    2014-01-01

    Full Text Available There exists usually a gap between bio-inspired computational techniques and what biologists can do with these techniques in their current researches. Although biology is the root of system-theory and artifical neural networks, computer scientists are tempted to build their own systems independently of biological issues. This publication is a first-step re-evalution of an usual machine learning technique (radial basis funtion(RBF networks in the context of systems and biological reactive organisms.

  17. 52 Sociocultural Competence as a Basis for Functional Education: A ...

    African Journals Online (AJOL)

    User

    2010-10-17

    Oct 17, 2010 ... This paper examines the relevance of socio-cultural competence in functional ... non-material expressions of the people as well as the processes with which .... themselves in all kinds of immorality, smoking, stealing, drug ...

  18. Studies in the method of correlated basis functions. Pt. 3

    International Nuclear Information System (INIS)

    Krotscheck, E.; Clark, J.W.

    1980-01-01

    A variational theory of pairing phenomena is presented for systems like neutron matter and liquid 3 He. The strong short-range correlations among the particles in these systems are incorporated into the trial states describing normal and pair-condensed phases, via a correlation operator F. The resulting theory has the same basic structure as that ordinarily applied for weak two-body interactions; in place of the pairing matrix elements of the bare interaction one finds certain effective pairing matrix elements Psub(kl), and modified single particle energies epsilon (k) appear. Detailed prescriptions are given for the construction of the Psub(kl) and epsilon (k) in terms of off-diagonal and diagonal matrix elements of the Hamiltonian and unit operators in a correlated basis of normal states. An exact criterion for instability of the assumed normal phase with respect to pair condensation is derived for general F. This criterion is investigated numerically for the special case if Jastrow correlations, the required normal-state quantities being evaluated by integral equation techniques which extend the Fermi hypernetted-chain scheme. In neutron matter, an instability with respect to 1 S 0 pairing is found in the low-density region, in concert with the predictions of Yang and Clark. In liquid 3 He, there is some indication of a 3 P 0 pairing instability in the vicinity of the experimental equilibrium density. (orig.)

  19. Determination of many-electron basis functions for a quantum Hall ground state using Schur polynomials

    Science.gov (United States)

    Mandal, Sudhansu S.; Mukherjee, Sutirtha; Ray, Koushik

    2018-03-01

    A method for determining the ground state of a planar interacting many-electron system in a magnetic field perpendicular to the plane is described. The ground state wave-function is expressed as a linear combination of a set of basis functions. Given only the flux and the number of electrons describing an incompressible state, we use the combinatorics of partitioning the flux among the electrons to derive the basis wave-functions as linear combinations of Schur polynomials. The procedure ensures that the basis wave-functions form representations of the angular momentum algebra. We exemplify the method by deriving the basis functions for the 5/2 quantum Hall state with a few particles. We find that one of the basis functions is precisely the Moore-Read Pfaffian wave function.

  20. Adaptive Linear and Normalized Combination of Radial Basis Function Networks for Function Approximation and Regression

    Directory of Open Access Journals (Sweden)

    Yunfeng Wu

    2014-01-01

    Full Text Available This paper presents a novel adaptive linear and normalized combination (ALNC method that can be used to combine the component radial basis function networks (RBFNs to implement better function approximation and regression tasks. The optimization of the fusion weights is obtained by solving a constrained quadratic programming problem. According to the instantaneous errors generated by the component RBFNs, the ALNC is able to perform the selective ensemble of multiple leaners by adaptively adjusting the fusion weights from one instance to another. The results of the experiments on eight synthetic function approximation and six benchmark regression data sets show that the ALNC method can effectively help the ensemble system achieve a higher accuracy (measured in terms of mean-squared error and the better fidelity (characterized by normalized correlation coefficient of approximation, in relation to the popular simple average, weighted average, and the Bagging methods.

  1. New MoM code incorporating multiple domain basis functions

    CSIR Research Space (South Africa)

    Lysko, AA

    2011-08-01

    Full Text Available piecewise linear approximation of geometry. This often leads to an unnecessarily great number of unknowns used to model relatively small loop and spiral antennas, coils and other curved structures. This is because the program creates a dense mesh... to accelerate computation of the elements of the impedance matrix and showed acceleration factor exceeding an order of magnitude, subject to a high accuracy requirement. 3. On Code Functionality and Application Results The package of programs was written...

  2. Avian magnetic compass: Its functional properties and physical basis

    Directory of Open Access Journals (Sweden)

    Roswitha WILTSCHKO, Wolfgang WILTSCHKO

    2010-06-01

    Full Text Available The avian magnetic compass was analyzed in bird species of three different orders – Passeriforms, Columbiforms and Galliforms – and in three different behavioral contexts, namely migratory orientation, homing and directional conditioning. The respective findings indicate similar functional properties: it is an inclination compass that works only within a functional window around the ambient magnetic field intensity; it tends to be lateralized in favor of the right eye, and it is wavelength-dependent, requiring light from the short-wavelength range of the spectrum. The underlying physical mechanisms have been identified as radical pair processes, spin-chemical reactions in specialized photopigments. The iron-based receptors in the upper beak do not seem to be involved. The existence of the same type of magnetic compass in only very distantly related bird species suggests that it may have been present already in the common ancestors of all modern birds, where it evolved as an all-purpose compass mechanism for orientation within the home range [Current Zoology 56 (3: 265–276, 2010].

  3. Assessing the utility of phase-space-localized basis functions: Exploiting direct product structure and a new basis function selection procedure

    International Nuclear Information System (INIS)

    Brown, James; Carrington, Tucker

    2016-01-01

    In this paper we show that it is possible to use an iterative eigensolver in conjunction with Halverson and Poirier’s symmetrized Gaussian (SG) basis [T. Halverson and B. Poirier, J. Chem. Phys. 137, 224101 (2012)] to compute accurate vibrational energy levels of molecules with as many as five atoms. This is done, without storing and manipulating large matrices, by solving a regular eigenvalue problem that makes it possible to exploit direct-product structure. These ideas are combined with a new procedure for selecting which basis functions to use. The SG basis we work with is orders of magnitude smaller than the basis made by using a classical energy criterion. We find significant convergence errors in previous calculations with SG bases. For sum-of-product Hamiltonians, SG bases large enough to compute accurate levels are orders of magnitude larger than even simple pruned bases composed of products of harmonic oscillator functions.

  4. Assessing the utility of phase-space-localized basis functions: Exploiting direct product structure and a new basis function selection procedure.

    Science.gov (United States)

    Brown, James; Carrington, Tucker

    2016-06-28

    In this paper we show that it is possible to use an iterative eigensolver in conjunction with Halverson and Poirier's symmetrized Gaussian (SG) basis [T. Halverson and B. Poirier, J. Chem. Phys. 137, 224101 (2012)] to compute accurate vibrational energy levels of molecules with as many as five atoms. This is done, without storing and manipulating large matrices, by solving a regular eigenvalue problem that makes it possible to exploit direct-product structure. These ideas are combined with a new procedure for selecting which basis functions to use. The SG basis we work with is orders of magnitude smaller than the basis made by using a classical energy criterion. We find significant convergence errors in previous calculations with SG bases. For sum-of-product Hamiltonians, SG bases large enough to compute accurate levels are orders of magnitude larger than even simple pruned bases composed of products of harmonic oscillator functions.

  5. Application of Trapezoidal-Shaped Characteristic Basis Functions to Arrays of Electrically Interconnected Antenna Elements

    NARCIS (Netherlands)

    Maaskant, R.; Mittra, R.; Tijhuis, A.G.; Graglia, R.D.

    2007-01-01

    This paper describes a novel technique for generating the characteristic basis functions (CBFs) used to represent the surface currents on finite arrays of electrically interconnected antenna elements. The CBFs are high-level basis functions, defined on subdomains in which the original problem is

  6. The Neural Basis of Typewriting: A Functional MRI Study.

    Science.gov (United States)

    Higashiyama, Yuichi; Takeda, Katsuhiko; Someya, Yoshiaki; Kuroiwa, Yoshiyuki; Tanaka, Fumiaki

    2015-01-01

    To investigate the neural substrate of typewriting Japanese words and to detect the difference between the neural substrate of typewriting and handwriting, we conducted a functional magnetic resonance imaging (fMRI) study in 16 healthy volunteers. All subjects were skillful touch typists and performed five tasks: a typing task, a writing task, a reading task, and two control tasks. Three brain regions were activated during both the typing and the writing tasks: the left superior parietal lobule, the left supramarginal gyrus, and the left premotor cortex close to Exner's area. Although typing and writing involved common brain regions, direct comparison between the typing and the writing task revealed greater left posteromedial intraparietal cortex activation in the typing task. In addition, activity in the left premotor cortex was more rostral in the typing task than in the writing task. These findings suggest that, although the brain circuits involved in Japanese typewriting are almost the same as those involved in handwriting, there are brain regions that are specific for typewriting.

  7. The Neural Basis of Typewriting: A Functional MRI Study.

    Directory of Open Access Journals (Sweden)

    Yuichi Higashiyama

    Full Text Available To investigate the neural substrate of typewriting Japanese words and to detect the difference between the neural substrate of typewriting and handwriting, we conducted a functional magnetic resonance imaging (fMRI study in 16 healthy volunteers. All subjects were skillful touch typists and performed five tasks: a typing task, a writing task, a reading task, and two control tasks. Three brain regions were activated during both the typing and the writing tasks: the left superior parietal lobule, the left supramarginal gyrus, and the left premotor cortex close to Exner's area. Although typing and writing involved common brain regions, direct comparison between the typing and the writing task revealed greater left posteromedial intraparietal cortex activation in the typing task. In addition, activity in the left premotor cortex was more rostral in the typing task than in the writing task. These findings suggest that, although the brain circuits involved in Japanese typewriting are almost the same as those involved in handwriting, there are brain regions that are specific for typewriting.

  8. Factorization of products of discontinuous functions applied to Fourier-Bessel basis.

    Science.gov (United States)

    Popov, Evgeny; Nevière, Michel; Bonod, Nicolas

    2004-01-01

    The factorization rules of Li [J. Opt. Soc. Am. A 13, 1870 (1996)] are generalized to a cylindrical geometry requiring the use of a Bessel function basis. A theoretical study confirms the validity of the Laurent rule when a product of two continuous functions or of one continuous and one discontinuous function is factorized. The necessity of applying the so-called inverse rule in factorizing a continuous product of two discontinuous functions in a truncated basis is demonstrated theoretically and numerically.

  9. Explicit appropriate basis function method for numerical solution of stiff systems

    International Nuclear Information System (INIS)

    Chen, Wenzhen; Xiao, Hongguang; Li, Haofeng; Chen, Ling

    2015-01-01

    Highlights: • An explicit numerical method called the appropriate basis function method is presented. • The method differs from the power series method for obtaining approximate numerical solutions. • Two cases show the method is fit for linear and nonlinear stiff systems. • The method is very simple and effective for most of differential equation systems. - Abstract: In this paper, an explicit numerical method, called the appropriate basis function method, is presented. The explicit appropriate basis function method differs from the power series method because it employs an appropriate basis function such as the exponential function, or periodic function, other than a polynomial, to obtain approximate numerical solutions. The method is successful and effective for the numerical solution of the first order ordinary differential equations. Two examples are presented to show the ability of the method for dealing with linear and nonlinear systems of differential equations

  10. Development of new auxiliary basis functions of the Karlsruhe segmented contracted basis sets including diffuse basis functions (def2-SVPD, def2-TZVPPD, and def2-QVPPD) for RI-MP2 and RI-CC calculations.

    Science.gov (United States)

    Hellweg, Arnim; Rappoport, Dmitrij

    2015-01-14

    We report optimized auxiliary basis sets for use with the Karlsruhe segmented contracted basis sets including moderately diffuse basis functions (Rappoport and Furche, J. Chem. Phys., 2010, 133, 134105) in resolution-of-the-identity (RI) post-self-consistent field (post-SCF) computations for the elements H-Rn (except lanthanides). The errors of the RI approximation using optimized auxiliary basis sets are analyzed on a comprehensive test set of molecules containing the most common oxidation states of each element and do not exceed those of the corresponding unaugmented basis sets. During these studies an unsatisfying performance of the def2-SVP and def2-QZVPP auxiliary basis sets for Barium was found and improved sets are provided. We establish the versatility of the def2-SVPD, def2-TZVPPD, and def2-QZVPPD basis sets for RI-MP2 and RI-CC (coupled-cluster) energy and property calculations. The influence of diffuse basis functions on correlation energy, basis set superposition error, atomic electron affinity, dipole moments, and computational timings is evaluated at different levels of theory using benchmark sets and showcase examples.

  11. Accurate correlation energies in one-dimensional systems from small system-adapted basis functions

    Science.gov (United States)

    Baker, Thomas E.; Burke, Kieron; White, Steven R.

    2018-02-01

    We propose a general method for constructing system-dependent basis functions for correlated quantum calculations. Our construction combines features from several traditional approaches: plane waves, localized basis functions, and wavelets. In a one-dimensional mimic of Coulomb systems, it requires only 2-3 basis functions per electron to achieve high accuracy, and reproduces the natural orbitals. We illustrate its effectiveness for molecular energy curves and chains of many one-dimensional atoms. We discuss the promise and challenges for realistic quantum chemical calculations.

  12. Multiscale finite element methods for high-contrast problems using local spectral basis functions

    KAUST Repository

    Efendiev, Yalchin

    2011-02-01

    In this paper we study multiscale finite element methods (MsFEMs) using spectral multiscale basis functions that are designed for high-contrast problems. Multiscale basis functions are constructed using eigenvectors of a carefully selected local spectral problem. This local spectral problem strongly depends on the choice of initial partition of unity functions. The resulting space enriches the initial multiscale space using eigenvectors of local spectral problem. The eigenvectors corresponding to small, asymptotically vanishing, eigenvalues detect important features of the solutions that are not captured by initial multiscale basis functions. Multiscale basis functions are constructed such that they span these eigenfunctions that correspond to small, asymptotically vanishing, eigenvalues. We present a convergence study that shows that the convergence rate (in energy norm) is proportional to (H/Λ*)1/2, where Λ* is proportional to the minimum of the eigenvalues that the corresponding eigenvectors are not included in the coarse space. Thus, we would like to reach to a larger eigenvalue with a smaller coarse space. This is accomplished with a careful choice of initial multiscale basis functions and the setup of the eigenvalue problems. Numerical results are presented to back-up our theoretical results and to show higher accuracy of MsFEMs with spectral multiscale basis functions. We also present a hierarchical construction of the eigenvectors that provides CPU savings. © 2010.

  13. Estimated Quality of Multistage Process on the Basis of Probabilistic Approach with Continuous Response Functions

    Directory of Open Access Journals (Sweden)

    Yuri B. Tebekin

    2011-11-01

    Full Text Available The article is devoted to the problem of the quality management for multiphase processes on the basis of the probabilistic approach. Method with continuous response functions is offered from the application of the method of Lagrange multipliers.

  14. A Bayesian spatial model for neuroimaging data based on biologically informed basis functions.

    Science.gov (United States)

    Huertas, Ismael; Oldehinkel, Marianne; van Oort, Erik S B; Garcia-Solis, David; Mir, Pablo; Beckmann, Christian F; Marquand, Andre F

    2017-11-01

    The dominant approach to neuroimaging data analysis employs the voxel as the unit of computation. While convenient, voxels lack biological meaning and their size is arbitrarily determined by the resolution of the image. Here, we propose a multivariate spatial model in which neuroimaging data are characterised as a linearly weighted combination of multiscale basis functions which map onto underlying brain nuclei or networks or nuclei. In this model, the elementary building blocks are derived to reflect the functional anatomy of the brain during the resting state. This model is estimated using a Bayesian framework which accurately quantifies uncertainty and automatically finds the most accurate and parsimonious combination of basis functions describing the data. We demonstrate the utility of this framework by predicting quantitative SPECT images of striatal dopamine function and we compare a variety of basis sets including generic isotropic functions, anatomical representations of the striatum derived from structural MRI, and two different soft functional parcellations of the striatum derived from resting-state fMRI (rfMRI). We found that a combination of ∼50 multiscale functional basis functions accurately represented the striatal dopamine activity, and that functional basis functions derived from an advanced parcellation technique known as Instantaneous Connectivity Parcellation (ICP) provided the most parsimonious models of dopamine function. Importantly, functional basis functions derived from resting fMRI were more accurate than both structural and generic basis sets in representing dopamine function in the striatum for a fixed model order. We demonstrate the translational validity of our framework by constructing classification models for discriminating parkinsonian disorders and their subtypes. Here, we show that ICP approach is the only basis set that performs well across all comparisons and performs better overall than the classical voxel-based approach

  15. Nonlinear System Identification via Basis Functions Based Time Domain Volterra Model

    Directory of Open Access Journals (Sweden)

    Yazid Edwar

    2014-07-01

    Full Text Available This paper proposes basis functions based time domain Volterra model for nonlinear system identification. The Volterra kernels are expanded by using complex exponential basis functions and estimated via genetic algorithm (GA. The accuracy and practicability of the proposed method are then assessed experimentally from a scaled 1:100 model of a prototype truss spar platform. Identification results in time and frequency domain are presented and coherent functions are performed to check the quality of the identification results. It is shown that results between experimental data and proposed method are in good agreement.

  16. Satisfiability of logic programming based on radial basis function neural networks

    International Nuclear Information System (INIS)

    Hamadneh, Nawaf; Sathasivam, Saratha; Tilahun, Surafel Luleseged; Choon, Ong Hong

    2014-01-01

    In this paper, we propose a new technique to test the Satisfiability of propositional logic programming and quantified Boolean formula problem in radial basis function neural networks. For this purpose, we built radial basis function neural networks to represent the proportional logic which has exactly three variables in each clause. We used the Prey-predator algorithm to calculate the output weights of the neural networks, while the K-means clustering algorithm is used to determine the hidden parameters (the centers and the widths). Mean of the sum squared error function is used to measure the activity of the two algorithms. We applied the developed technique with the recurrent radial basis function neural networks to represent the quantified Boolean formulas. The new technique can be applied to solve many applications such as electronic circuits and NP-complete problems

  17. Satisfiability of logic programming based on radial basis function neural networks

    Energy Technology Data Exchange (ETDEWEB)

    Hamadneh, Nawaf; Sathasivam, Saratha; Tilahun, Surafel Luleseged; Choon, Ong Hong [School of Mathematical Sciences, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia)

    2014-07-10

    In this paper, we propose a new technique to test the Satisfiability of propositional logic programming and quantified Boolean formula problem in radial basis function neural networks. For this purpose, we built radial basis function neural networks to represent the proportional logic which has exactly three variables in each clause. We used the Prey-predator algorithm to calculate the output weights of the neural networks, while the K-means clustering algorithm is used to determine the hidden parameters (the centers and the widths). Mean of the sum squared error function is used to measure the activity of the two algorithms. We applied the developed technique with the recurrent radial basis function neural networks to represent the quantified Boolean formulas. The new technique can be applied to solve many applications such as electronic circuits and NP-complete problems.

  18. Modeling multivariate time series on manifolds with skew radial basis functions.

    Science.gov (United States)

    Jamshidi, Arta A; Kirby, Michael J

    2011-01-01

    We present an approach for constructing nonlinear empirical mappings from high-dimensional domains to multivariate ranges. We employ radial basis functions and skew radial basis functions for constructing a model using data that are potentially scattered or sparse. The algorithm progresses iteratively, adding a new function at each step to refine the model. The placement of the functions is driven by a statistical hypothesis test that accounts for correlation in the multivariate range variables. The test is applied on training and validation data and reveals nonstatistical or geometric structure when it fails. At each step, the added function is fit to data contained in a spatiotemporally defined local region to determine the parameters--in particular, the scale of the local model. The scale of the function is determined by the zero crossings of the autocorrelation function of the residuals. The model parameters and the number of basis functions are determined automatically from the given data, and there is no need to initialize any ad hoc parameters save for the selection of the skew radial basis functions. Compactly supported skew radial basis functions are employed to improve model accuracy, order, and convergence properties. The extension of the algorithm to higher-dimensional ranges produces reduced-order models by exploiting the existence of correlation in the range variable data. Structure is tested not just in a single time series but between all pairs of time series. We illustrate the new methodologies using several illustrative problems, including modeling data on manifolds and the prediction of chaotic time series.

  19. Patient-Specific Modeling in Tomorrow's Medicine

    CERN Document Server

    2012-01-01

    This book reviews the frontier of research and clinical applications of Patient Specific Modeling, and provides a state-of-the-art update as well as perspectives on future directions in this exciting field. The book is useful for medical physicists, biomedical engineers and other engineers who are interested in the science and technology aspects of Patient Specific Modeling, as well as for radiologists and other medical specialists who wish to be updated about the state of implementation.

  20. Problem-Matched Basis Functions for Microstrip Coupled Slot Arrays based on Transmission Line Green+s Functions (TLGF)

    NARCIS (Netherlands)

    Bruni, S.; Llombart, N.; Neto, A.; Gerini, G.; Maci, S.

    2004-01-01

    A method is proposed for the analysis of arrays of linear printed antennas. After the formulation of pertinent set of integral equations, the appropriate equivalent currents of the Method of Moments are represented in terms of two sets of entire domain basis functions. These functions synthesize on

  1. Method of moments solution of volume integral equations using higher-order hierarchical Legendre basis functions

    DEFF Research Database (Denmark)

    Kim, Oleksiy S.; Jørgensen, Erik; Meincke, Peter

    2004-01-01

    An efficient higher-order method of moments (MoM) solution of volume integral equations is presented. The higher-order MoM solution is based on higher-order hierarchical Legendre basis functions and higher-order geometry modeling. An unstructured mesh composed of 8-node trilinear and/or curved 27...... of magnitude in comparison to existing higher-order hierarchical basis functions. Consequently, an iterative solver can be applied even for high expansion orders. Numerical results demonstrate excellent agreement with the analytical Mie series solution for a dielectric sphere as well as with results obtained...

  2. Exponential Convergence for Numerical Solution of Integral Equations Using Radial Basis Functions

    Directory of Open Access Journals (Sweden)

    Zakieh Avazzadeh

    2014-01-01

    Full Text Available We solve some different type of Urysohn integral equations by using the radial basis functions. These types include the linear and nonlinear Fredholm, Volterra, and mixed Volterra-Fredholm integral equations. Our main aim is to investigate the rate of convergence to solve these equations using the radial basis functions which have normic structure that utilize approximation in higher dimensions. Of course, the use of this method often leads to ill-posed systems. Thus we propose an algorithm to improve the results. Numerical results show that this method leads to the exponential convergence for solving integral equations as it was already confirmed for partial and ordinary differential equations.

  3. Patient-specific hip prostheses designed by surgeons

    Directory of Open Access Journals (Sweden)

    Coigny Florian

    2016-09-01

    Full Text Available Patient-specific bone and joint replacement implants lead to better functional and aesthetic results than conventional methods [1], [2], [3]. But extracting 3D shape information from CT Data and designing individual implants is demanding and requires multiple surgeon-to-engineer interactions. For manufacturing purposes, Additive Manufacturing offers various advantages, especially for low volume manufacturing parts, such as patient specific implants. To ease these new approaches and to avoid surgeon-to-engineer interactions a new design software approach is needed which offers highly automated and user friendly planning steps.

  4. Reconfiguration of face expressions based on the discrete capture data of radial basis function interpolation

    Institute of Scientific and Technical Information of China (English)

    ZHENG Guangguo; ZHOU Dongsheng; WEI Xiaopeng; ZHANG Qiang

    2012-01-01

    Compactly supported radial basis function can enable the coefficient matrix of solving weigh linear system to have a sparse banded structure, thereby reducing the complexity of the algorithm. Firstly, based on the compactly supported radial basis function, the paper makes the complex quadratic function (Multiquadric, MQ for short) to be transformed and proposes a class of compactly supported MQ function. Secondly, the paper describes a method that interpolates discrete motion capture data to solve the motion vectors of the interpolation points and they are used in facial expression reconstruction. Finally, according to this characteris- tic of the uneven distribution of the face markers, the markers are numbered and grouped in accordance with the density level, and then be interpolated in line with each group. The approach not only ensures the accuracy of the deformation of face local area and smoothness, but also reduces the time complexity of computing.

  5. Fast generation of macro basis functions for LEGO through the adaptive cross approximation

    NARCIS (Netherlands)

    Lancellotti, V.

    2015-01-01

    We present a method for the fast generation of macro basis functions in the context of the linear embedding via Green's operators approach (LEGO) which is a domain decomposition technique based on the combination of electromagnetic bricks in turn described by means of scattering operators. We show

  6. Method of applying single higher order polynomial basis function over multiple domains

    CSIR Research Space (South Africa)

    Lysko, AA

    2010-03-01

    Full Text Available A novel method has been devised where one set of higher order polynomial-based basis functions can be applied over several wire segments, thus permitting to decouple the number of unknowns from the number of segments, and so from the geometrical...

  7. Sea Surface Temperature Modeling using Radial Basis Function Networks With a Dynamically Weighted Particle Filter

    KAUST Repository

    Ryu, Duchwan; Liang, Faming; Mallick, Bani K.

    2013-01-01

    be modeled by a dynamic system which changes with time and location. In this article, we propose a radial basis function network-based dynamic model which is able to catch the nonlinearity of the data and propose to use the dynamically weighted particle

  8. New Method for Mesh Moving Based on Radial Basis Function Interpolation

    NARCIS (Netherlands)

    De Boer, A.; Van der Schoot, M.S.; Bijl, H.

    2006-01-01

    A new point-by-point mesh movement algorithm is developed for the deformation of unstructured grids. The method is based on using radial basis function, RBFs, to interpolate the displacements of the boundary nodes to the whole flow mesh. A small system of equations has to be solved, only involving

  9. Least square fitting of low resolution gamma ray spectra with cubic B-spline basis functions

    International Nuclear Information System (INIS)

    Zhu Menghua; Liu Lianggang; Qi Dongxu; You Zhong; Xu Aoao

    2009-01-01

    In this paper, the least square fitting method with the cubic B-spline basis functions is derived to reduce the influence of statistical fluctuations in the gamma ray spectra. The derived procedure is simple and automatic. The results show that this method is better than the convolution method with a sufficient reduction of statistical fluctuation. (authors)

  10. A metric for the Radial Basis Function Network - Application on Real Radar Data

    NARCIS (Netherlands)

    Heiden, R. van der; Groen, F.C.A.

    1996-01-01

    A Radial Basis Functions (RBF) network for pattern recognition is considered. Classification with such a network is based on distances between patterns, so a metric is always present. Using real radar data, the Euclidean metric is shown to perform poorly - a metric based on the so called Box-Cox

  11. MR-guided dynamic PET reconstruction with the kernel method and spectral temporal basis functions

    Science.gov (United States)

    Novosad, Philip; Reader, Andrew J.

    2016-06-01

    Recent advances in dynamic positron emission tomography (PET) reconstruction have demonstrated that it is possible to achieve markedly improved end-point kinetic parameter maps by incorporating a temporal model of the radiotracer directly into the reconstruction algorithm. In this work we have developed a highly constrained, fully dynamic PET reconstruction algorithm incorporating both spectral analysis temporal basis functions and spatial basis functions derived from the kernel method applied to a co-registered T1-weighted magnetic resonance (MR) image. The dynamic PET image is modelled as a linear combination of spatial and temporal basis functions, and a maximum likelihood estimate for the coefficients can be found using the expectation-maximization (EM) algorithm. Following reconstruction, kinetic fitting using any temporal model of interest can be applied. Based on a BrainWeb T1-weighted MR phantom, we performed a realistic dynamic [18F]FDG simulation study with two noise levels, and investigated the quantitative performance of the proposed reconstruction algorithm, comparing it with reconstructions incorporating either spectral analysis temporal basis functions alone or kernel spatial basis functions alone, as well as with conventional frame-independent reconstruction. Compared to the other reconstruction algorithms, the proposed algorithm achieved superior performance, offering a decrease in spatially averaged pixel-level root-mean-square-error on post-reconstruction kinetic parametric maps in the grey/white matter, as well as in the tumours when they were present on the co-registered MR image. When the tumours were not visible in the MR image, reconstruction with the proposed algorithm performed similarly to reconstruction with spectral temporal basis functions and was superior to both conventional frame-independent reconstruction and frame-independent reconstruction with kernel spatial basis functions. Furthermore, we demonstrate that a joint spectral

  12. A conceptual basis to encode and detect organic functional groups in XML.

    Science.gov (United States)

    Sankar, Punnaivanam; Krief, Alain; Vijayasarathi, Durairaj

    2013-06-01

    A conceptual basis to define and detect organic functional groups is developed. The basic model of a functional group is termed as a primary functional group and is characterized by a group center composed of one or more group center atoms bonded to terminal atoms and skeletal carbon atoms. The generic group center patterns are identified from the structures of known functional groups. Accordingly, a chemical ontology 'Font' is developed to organize the existing functional groups as well as the new ones to be defined by the chemists. The basic model is extended to accommodate various combinations of primary functional groups as functional group assemblies. A concept of skeletal group is proposed to define the characteristic groups composed of only carbon atoms to be regarded as equivalent to functional groups. The combination of primary functional groups with skeletal groups is categorized as skeletal group assembly. In order to make the model suitable for reaction modeling purpose, a Graphical User Interface (GUI) is developed to define the functional groups and to encode in XML format appropriate to detect them in chemical structures. The system is capable of detecting multiple instances of primary functional groups as well as the overlapping poly-functional groups as the respective assemblies. Copyright © 2013 Elsevier Inc. All rights reserved.

  13. Density Functional Theory and the Basis Set Truncation Problem with Correlation Consistent Basis Sets: Elephant in the Room or Mouse in the Closet?

    Science.gov (United States)

    Feller, David; Dixon, David A

    2018-03-08

    Two recent papers in this journal called into question the suitability of the correlation consistent basis sets for density functional theory (DFT) calculations, because the sets were designed for correlated methods such as configuration interaction, perturbation theory, and coupled cluster theory. These papers focused on the ability of the correlation consistent and other basis sets to reproduce total energies, atomization energies, and dipole moments obtained from "quasi-exact" multiwavelet results. Undesirably large errors were observed for the correlation consistent basis sets. One of the papers argued that basis sets specifically optimized for DFT methods were "essential" for obtaining high accuracy. In this work we re-examined the performance of the correlation consistent basis sets by resolving problems with the previous calculations and by making more appropriate basis set choices for the alkali and alkaline-earth metals and second-row elements. When this is done, the statistical errors with respect to the benchmark values and with respect to DFT optimized basis sets are greatly reduced, especially in light of the relatively large intrinsic error of the underlying DFT method. When judged with respect to high-quality Feller-Peterson-Dixon coupled cluster theory atomization energies, the PBE0 DFT method used in the previous studies exhibits a mean absolute deviation more than a factor of 50 larger than the quintuple zeta basis set truncation error.

  14. Identifying the molecular functions of electron transport proteins using radial basis function networks and biochemical properties.

    Science.gov (United States)

    Le, Nguyen-Quoc-Khanh; Nguyen, Trinh-Trung-Duong; Ou, Yu-Yen

    2017-05-01

    The electron transport proteins have an important role in storing and transferring electrons in cellular respiration, which is the most proficient process through which cells gather energy from consumed food. According to the molecular functions, the electron transport chain components could be formed with five complexes with several different electron carriers and functions. Therefore, identifying the molecular functions in the electron transport chain is vital for helping biologists understand the electron transport chain process and energy production in cells. This work includes two phases for discriminating electron transport proteins from transport proteins and classifying categories of five complexes in electron transport proteins. In the first phase, the performances from PSSM with AAIndex feature set were successful in identifying electron transport proteins in transport proteins with achieved sensitivity of 73.2%, specificity of 94.1%, and accuracy of 91.3%, with MCC of 0.64 for independent data set. With the second phase, our method can approach a precise model for identifying of five complexes with different molecular functions in electron transport proteins. The PSSM with AAIndex properties in five complexes achieved MCC of 0.51, 0.47, 0.42, 0.74, and 1.00 for independent data set, respectively. We suggest that our study could be a power model for determining new proteins that belongs into which molecular function of electron transport proteins. Copyright © 2017 Elsevier Inc. All rights reserved.

  15. An enhanced radial basis function network for short-term electricity price forecasting

    International Nuclear Information System (INIS)

    Lin, Whei-Min; Gow, Hong-Jey; Tsai, Ming-Tang

    2010-01-01

    This paper proposed a price forecasting system for electric market participants to reduce the risk of price volatility. Combining the Radial Basis Function Network (RBFN) and Orthogonal Experimental Design (OED), an Enhanced Radial Basis Function Network (ERBFN) has been proposed for the solving process. The Locational Marginal Price (LMP), system load, transmission flow and temperature of the PJM system were collected and the data clusters were embedded in the Excel Database according to the year, season, workday and weekend. With the OED applied to learning rates in the ERBFN, the forecasting error can be reduced during the training process to improve both accuracy and reliability. This would mean that even the ''spikes'' could be tracked closely. The Back-propagation Neural Network (BPN), Probability Neural Network (PNN), other algorithms, and the proposed ERBFN were all developed and compared to check the performance. Simulation results demonstrated the effectiveness of the proposed ERBFN to provide quality information in a price volatile environment. (author)

  16. Machine learning of radial basis function neural network based on Kalman filter: Introduction

    Directory of Open Access Journals (Sweden)

    Vuković Najdan L.

    2014-01-01

    Full Text Available This paper analyzes machine learning of radial basis function neural network based on Kalman filtering. Three algorithms are derived: linearized Kalman filter, linearized information filter and unscented Kalman filter. We emphasize basic properties of these estimation algorithms, demonstrate how their advantages can be used for optimization of network parameters, derive mathematical models and show how they can be applied to model problems in engineering practice.

  17. Solution of volume-surface integral equations using higher-order hierarchical Legendre basis functions

    DEFF Research Database (Denmark)

    Kim, Oleksiy S.; Meincke, Peter; Breinbjerg, Olav

    2007-01-01

    The problem of electromagnetic scattering by composite metallic and dielectric objects is solved using the coupled volume-surface integral equation (VSIE). The method of moments (MoM) based on higher-order hierarchical Legendre basis functions and higher-order curvilinear geometrical elements...... with the analytical Mie series solution. Scattering by more complex metal-dielectric objects are also considered to compare the presented technique with other numerical methods....

  18. Reconfigurable Flight Control Design using a Robust Servo LQR and Radial Basis Function Neural Networks

    Science.gov (United States)

    Burken, John J.

    2005-01-01

    This viewgraph presentation reviews the use of a Robust Servo Linear Quadratic Regulator (LQR) and a Radial Basis Function (RBF) Neural Network in reconfigurable flight control designs in adaptation to a aircraft part failure. The method uses a robust LQR servomechanism design with model Reference adaptive control, and RBF neural networks. During the failure the LQR servomechanism behaved well, and using the neural networks improved the tracking.

  19. Application of natural basis functions to soft x-ray tomography

    International Nuclear Information System (INIS)

    Ingesson, L.

    2000-03-01

    Natural basis functions (NBFs), also known as natural pixels in the literature, have been applied in tomographic reconstructions of simulated measurements for the JET soft x-ray system, which has a total of about 200 detectors spread over 6 directions. Various types of NBFs, i.e. normal, generalized and orthonormal NBFs, are reviewed. The number of basis functions is roughly equal to the number of measurements. Therefore, little a priori information is required as regularization and truncated singular-value decomposition can be used for the tomographic inversion. The results of NBFs are compared with reconstructions by the same solution technique using local basis functions (LBFs), and with the reconstructions of a conventional constrained-optimization tomography method with many more LBFs that requires more a priori information. Although the results of the conventional method are superior due to the a priori information, the results of the NBF and other LBF methods are reasonable and show the main features. Therefore, NBFs are a promising way to assess whether features in reconstructions are real or artefacts resulting from the a priori information. Of the NBFs, regular triangular (generalized) NBFs give the most acceptable reconstructions, much better than traditional square pixels, although the reconstructions with pyramid-shaped LBFs are also reasonable and have slightly smaller reconstruction errors. A more-regular (virtual) viewing geometry improves the reconstructions. However, simulations with a viewing geometry with a total of 480 channels spread over 12 directions clearly show that a priori information still improves the reconstructions considerably. (author)

  20. A prediction method for the wax deposition rate based on a radial basis function neural network

    Directory of Open Access Journals (Sweden)

    Ying Xie

    2017-06-01

    Full Text Available The radial basis function neural network is a popular supervised learning tool based on machinery learning technology. Its high precision having been proven, the radial basis function neural network has been applied in many areas. The accumulation of deposited materials in the pipeline may lead to the need for increased pumping power, a decreased flow rate or even to the total blockage of the line, with losses of production and capital investment, so research on predicting the wax deposition rate is significant for the safe and economical operation of an oil pipeline. This paper adopts the radial basis function neural network to predict the wax deposition rate by considering four main influencing factors, the pipe wall temperature gradient, pipe wall wax crystal solubility coefficient, pipe wall shear stress and crude oil viscosity, by the gray correlational analysis method. MATLAB software is employed to establish the RBF neural network. Compared with the previous literature, favorable consistency exists between the predicted outcomes and the experimental results, with a relative error of 1.5%. It can be concluded that the prediction method of wax deposition rate based on the RBF neural network is feasible.

  1. Rational quadratic trigonometric Bézier curve based on new basis with exponential functions

    Directory of Open Access Journals (Sweden)

    Wu Beibei

    2017-06-01

    Full Text Available We construct a rational quadratic trigonometric Bézier curve with four shape parameters by introducing two exponential functions into the trigonometric basis functions in this paper. It has the similar properties as the rational quadratic Bézier curve. For given control points, the shape of the curve can be flexibly adjusted by changing the shape parameters and the weight. Some conics can be exactly represented when the control points, the shape parameters and the weight are chosen appropriately. The C0, C1 and C2 continuous conditions for joining two constructed curves are discussed. Some examples are given.

  2. Parallel Fixed Point Implementation of a Radial Basis Function Network in an FPGA

    Directory of Open Access Journals (Sweden)

    Alisson C. D. de Souza

    2014-09-01

    Full Text Available This paper proposes a parallel fixed point radial basis function (RBF artificial neural network (ANN, implemented in a field programmable gate array (FPGA trained online with a least mean square (LMS algorithm. The processing time and occupied area were analyzed for various fixed point formats. The problems of precision of the ANN response for nonlinear classification using the XOR gate and interpolation using the sine function were also analyzed in a hardware implementation. The entire project was developed using the System Generator platform (Xilinx, with a Virtex-6 xc6vcx240t-1ff1156 as the target FPGA.

  3. Patient specific 3D printed phantom for IMRT quality assurance

    International Nuclear Information System (INIS)

    Ehler, Eric D; Higgins, Patrick D; Dusenbery, Kathryn E; Barney, Brett M

    2014-01-01

    The purpose of this study was to test the feasibility of a patient specific phantom for patient specific dosimetric verification. Using the head and neck region of an anthropomorphic phantom as a substitute for an actual patient, a soft-tissue equivalent model was constructed with the use of a 3D printer. Calculated and measured dose in the anthropomorphic phantom and the 3D printed phantom was compared for a parallel-opposed head and neck field geometry to establish tissue equivalence. A nine-field IMRT plan was constructed and dose verification measurements were performed for the 3D printed phantom as well as traditional standard phantoms. The maximum difference in calculated dose was 1.8% for the parallel-opposed configuration. Passing rates of various dosimetric parameters were compared for the IMRT plan measurements; the 3D printed phantom results showed greater disagreement at superficial depths than other methods. A custom phantom was created using a 3D printer. It was determined that the use of patient specific phantoms to perform dosimetric verification and estimate the dose in the patient is feasible. In addition, end-to-end testing on a per-patient basis was possible with the 3D printed phantom. Further refinement of the phantom construction process is needed for routine use. (paper)

  4. Performance-oriented asymptotic tracking control of hydraulic systems with radial basis function network disturbance observer

    Directory of Open Access Journals (Sweden)

    Jian Hu

    2016-05-01

    Full Text Available Uncertainties, including parametric uncertainties and uncertain nonlinearities, always exist in positioning servo systems driven by a hydraulic actuator, which would degrade their tracking accuracy. In this article, an integrated control scheme, which combines adaptive robust control together with radial basis function neural network–based disturbance observer, is proposed for high-accuracy motion control of hydraulic systems. Not only parametric uncertainties but also uncertain nonlinearities (i.e. nonlinear friction, external disturbances, and/or unmodeled dynamics are taken into consideration in the proposed controller. The above uncertainties are compensated, respectively, by adaptive control and radial basis function neural network, which are ultimately integrated together by applying feedforward compensation technique, in which the global stabilization of the controller is ensured via a robust feedback path. A new kind of parameter and weight adaptation law is designed on the basis of Lyapunov stability theory. Furthermore, the proposed controller obtains an expected steady performance even if modeling uncertainties exist, and extensive simulation results in various working conditions have proven the high performance of the proposed control scheme.

  5. Reconstruction of tissue dynamics in the compressed breast using multiplexed measurements and temporal basis functions

    Science.gov (United States)

    Boverman, Gregory; Miller, Eric L.; Brooks, Dana H.; Fang, Qianqian; Carp, S. A.; Selb, J. J.; Boas, David A.

    2007-02-01

    In the course of our experiments imaging the compressed breast in conjunction with digital tomosynthesis, we have noted that significant changes in tissue optical properties, on the order of 5%, occur during our imaging protocol. These changes seem to consistent with changes both in total Hemoglobin concentration as well as in oxygen saturation, as was the case for our standalone breast compression study, which made use of reflectance measurements. Simulation experiments show the importance of taking into account the temporal dynamics in the image reconstruction, and demonstrate the possibility of imaging the spatio-temporal dynamics of oxygen saturation and total Hemoglobin in the breast. In the image reconstruction, we make use of spatio-temporal basis functions, specifically a voxel basis for spatial imaging, and a cubic spline basis in time, and we reconstruct the spatio-temporal images using the entire data set simultaneously, making use of both absolute and relative measurements in the cost function. We have modified the sequence of sources used in our imaging acquisition protocol to improve our temporal resolution, and preliminary results are shown for normal subjects.

  6. Symmetry-Adapted Ro-vibrational Basis Functions for Variational Nuclear Motion Calculations: TROVE Approach.

    Science.gov (United States)

    Yurchenko, Sergei N; Yachmenev, Andrey; Ovsyannikov, Roman I

    2017-09-12

    We present a general, numerically motivated approach to the construction of symmetry-adapted basis functions for solving ro-vibrational Schrödinger equations. The approach is based on the property of the Hamiltonian operator to commute with the complete set of symmetry operators and, hence, to reflect the symmetry of the system. The symmetry-adapted ro-vibrational basis set is constructed numerically by solving a set of reduced vibrational eigenvalue problems. In order to assign the irreducible representations associated with these eigenfunctions, their symmetry properties are probed on a grid of molecular geometries with the corresponding symmetry operations. The transformation matrices are reconstructed by solving overdetermined systems of linear equations related to the transformation properties of the corresponding wave functions on the grid. Our method is implemented in the variational approach TROVE and has been successfully applied to many problems covering the most important molecular symmetry groups. Several examples are used to illustrate the procedure, which can be easily applied to different types of coordinates, basis sets, and molecular systems.

  7. Group Theory of Wannier Functions Providing the Basis for a Deeper Understanding of Magnetism and Superconductivity

    Directory of Open Access Journals (Sweden)

    Ekkehard Krüger

    2015-05-01

    Full Text Available The paper presents the group theory of optimally-localized and symmetry-adapted Wannier functions in a crystal of any given space group G or magnetic group M. Provided that the calculated band structure of the considered material is given and that the symmetry of the Bloch functions at all of the points of symmetry in the Brillouin zone is known, the paper details whether or not the Bloch functions of particular energy bands can be unitarily transformed into optimally-localized Wannier functions symmetry-adapted to the space group G, to the magnetic group M or to a subgroup of G or M. In this context, the paper considers usual, as well as spin-dependent Wannier functions, the latter representing the most general definition of Wannier functions. The presented group theory is a review of the theory published by one of the authors (Ekkehard Krüger in several former papers and is independent of any physical model of magnetism or superconductivity. However, it is suggested to interpret the special symmetry of the optimally-localized Wannier functions in the framework of a nonadiabatic extension of the Heisenberg model, the nonadiabatic Heisenberg model. On the basis of the symmetry of the Wannier functions, this model of strongly-correlated localized electrons makes clear predictions of whether or not the system can possess superconducting or magnetic eigenstates.

  8. A comparison of the behavior of functional/basis set combinations for hydrogen-bonding in the water dimer with emphasis on basis set superposition error.

    Science.gov (United States)

    Plumley, Joshua A; Dannenberg, J J

    2011-06-01

    We evaluate the performance of ten functionals (B3LYP, M05, M05-2X, M06, M06-2X, B2PLYP, B2PLYPD, X3LYP, B97D, and MPWB1K) in combination with 16 basis sets ranging in complexity from 6-31G(d) to aug-cc-pV5Z for the calculation of the H-bonded water dimer with the goal of defining which combinations of functionals and basis sets provide a combination of economy and accuracy for H-bonded systems. We have compared the results to the best non-density functional theory (non-DFT) molecular orbital (MO) calculations and to experimental results. Several of the smaller basis sets lead to qualitatively incorrect geometries when optimized on a normal potential energy surface (PES). This problem disappears when the optimization is performed on a counterpoise (CP) corrected PES. The calculated interaction energies (ΔEs) with the largest basis sets vary from -4.42 (B97D) to -5.19 (B2PLYPD) kcal/mol for the different functionals. Small basis sets generally predict stronger interactions than the large ones. We found that, because of error compensation, the smaller basis sets gave the best results (in comparison to experimental and high-level non-DFT MO calculations) when combined with a functional that predicts a weak interaction with the largest basis set. As many applications are complex systems and require economical calculations, we suggest the following functional/basis set combinations in order of increasing complexity and cost: (1) D95(d,p) with B3LYP, B97D, M06, or MPWB1k; (2) 6-311G(d,p) with B3LYP; (3) D95++(d,p) with B3LYP, B97D, or MPWB1K; (4) 6-311++G(d,p) with B3LYP or B97D; and (5) aug-cc-pVDZ with M05-2X, M06-2X, or X3LYP. Copyright © 2011 Wiley Periodicals, Inc.

  9. Molecular basis of the functional heterogeneity of the muscarinic acetylcholine receptor

    International Nuclear Information System (INIS)

    Numa, S.; Fukuda, K.; Kubo, T.; Maeda, A.; Akiba, I.; Bujo, H.; Nakai, J.; Mishina, M.; Higashida, H.

    1988-01-01

    The muscarinic acetylcholine receptor (mAChR) mediates a variety of cellular responses, including inhibition of adenylate cyclase, breakdown of phosphoinositides, and modulation of potassium channels, through the action of guanine-nucleotide-binding regulatory proteins (G proteins). The question then arises as to whether multiple mAChR species exist that are responsible for the various biochemical and physiological effects. In fact, pharmacologically distinguishable forms of the mAChR occur in different tissues and have been provisionally classified into M 1 (I), M 2 cardiac (II), and M 2 glandular (III) subtypes on the basis of their difference in apparent affinity for antagonists. Here, the authors have made attempts to understand the molecular basis of the functional heterogeneity of the mAChR, using recombinant DNA technology

  10. New deconvolution method for microscopic images based on the continuous Gaussian radial basis function interpolation model.

    Science.gov (United States)

    Chen, Zhaoxue; Chen, Hao

    2014-01-01

    A deconvolution method based on the Gaussian radial basis function (GRBF) interpolation is proposed. Both the original image and Gaussian point spread function are expressed as the same continuous GRBF model, thus image degradation is simplified as convolution of two continuous Gaussian functions, and image deconvolution is converted to calculate the weighted coefficients of two-dimensional control points. Compared with Wiener filter and Lucy-Richardson algorithm, the GRBF method has an obvious advantage in the quality of restored images. In order to overcome such a defect of long-time computing, the method of graphic processing unit multithreading or increasing space interval of control points is adopted, respectively, to speed up the implementation of GRBF method. The experiments show that based on the continuous GRBF model, the image deconvolution can be efficiently implemented by the method, which also has a considerable reference value for the study of three-dimensional microscopic image deconvolution.

  11. Radial basis function neural network for power system load-flow

    International Nuclear Information System (INIS)

    Karami, A.; Mohammadi, M.S.

    2008-01-01

    This paper presents a method for solving the load-flow problem of the electric power systems using radial basis function (RBF) neural network with a fast hybrid training method. The main idea is that some operating conditions (values) are needed to solve the set of non-linear algebraic equations of load-flow by employing an iterative numerical technique. Therefore, we may view the outputs of a load-flow program as functions of the operating conditions. Indeed, we are faced with a function approximation problem and this can be done by an RBF neural network. The proposed approach has been successfully applied to the 10-machine and 39-bus New England test system. In addition, this method has been compared with that of a multi-layer perceptron (MLP) neural network model. The simulation results show that the RBF neural network is a simpler method to implement and requires less training time to converge than the MLP neural network. (author)

  12. Neural Basis of Enhanced Executive Function in Older Video Game Players: An fMRI Study.

    Science.gov (United States)

    Wang, Ping; Zhu, Xing-Ting; Qi, Zhigang; Huang, Silin; Li, Hui-Jie

    2017-01-01

    Video games have been found to have positive influences on executive function in older adults; however, the underlying neural basis of the benefits from video games has been unclear. Adopting a task-based functional magnetic resonance imaging (fMRI) study targeted at the flanker task, the present study aims to explore the neural basis of the improved executive function in older adults with video game experiences. Twenty video game players (VGPs) and twenty non-video game players (NVGPs) of 60 years of age or older participated in the present study, and there are no significant differences in age ( t = 0.62, p = 0.536), gender ratio ( t = 1.29, p = 0.206) and years of education ( t = 1.92, p = 0.062) between VGPs and NVGPs. The results show that older VGPs present significantly better behavioral performance than NVGPs. Older VGPs activate greater than NVGPs in brain regions, mainly in frontal-parietal areas, including the right dorsolateral prefrontal cortex, the left supramarginal gyrus, the right angular gyrus, the right precuneus and the left paracentral lobule. The present study reveals that video game experiences may have positive influences on older adults in behavioral performance and the underlying brain activation. These results imply the potential role that video games can play as an effective tool to improve cognitive ability in older adults.

  13. Computing single step operators of logic programming in radial basis function neural networks

    Energy Technology Data Exchange (ETDEWEB)

    Hamadneh, Nawaf; Sathasivam, Saratha; Choon, Ong Hong [School of Mathematical Sciences, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia)

    2014-07-10

    Logic programming is the process that leads from an original formulation of a computing problem to executable programs. A normal logic program consists of a finite set of clauses. A valuation I of logic programming is a mapping from ground atoms to false or true. The single step operator of any logic programming is defined as a function (T{sub p}:I→I). Logic programming is well-suited to building the artificial intelligence systems. In this study, we established a new technique to compute the single step operators of logic programming in the radial basis function neural networks. To do that, we proposed a new technique to generate the training data sets of single step operators. The training data sets are used to build the neural networks. We used the recurrent radial basis function neural networks to get to the steady state (the fixed point of the operators). To improve the performance of the neural networks, we used the particle swarm optimization algorithm to train the networks.

  14. Computing single step operators of logic programming in radial basis function neural networks

    Science.gov (United States)

    Hamadneh, Nawaf; Sathasivam, Saratha; Choon, Ong Hong

    2014-07-01

    Logic programming is the process that leads from an original formulation of a computing problem to executable programs. A normal logic program consists of a finite set of clauses. A valuation I of logic programming is a mapping from ground atoms to false or true. The single step operator of any logic programming is defined as a function (Tp:I→I). Logic programming is well-suited to building the artificial intelligence systems. In this study, we established a new technique to compute the single step operators of logic programming in the radial basis function neural networks. To do that, we proposed a new technique to generate the training data sets of single step operators. The training data sets are used to build the neural networks. We used the recurrent radial basis function neural networks to get to the steady state (the fixed point of the operators). To improve the performance of the neural networks, we used the particle swarm optimization algorithm to train the networks.

  15. Reconstruction of Daily Sea Surface Temperature Based on Radial Basis Function Networks

    Directory of Open Access Journals (Sweden)

    Zhihong Liao

    2017-11-01

    Full Text Available A radial basis function network (RBFN method is proposed to reconstruct daily Sea surface temperatures (SSTs with limited SST samples. For the purpose of evaluating the SSTs using this method, non-biased SST samples in the Pacific Ocean (10°N–30°N, 115°E–135°E are selected when the tropical storm Hagibis arrived in June 2014, and these SST samples are obtained from the Reynolds optimum interpolation (OI v2 daily 0.25° SST (OISST products according to the distribution of AVHRR L2p SST and in-situ SST data. Furthermore, an improved nearest neighbor cluster (INNC algorithm is designed to search for the optimal hidden knots for RBFNs from both the SST samples and the background fields. Then, the reconstructed SSTs from the RBFN method are compared with the results from the OI method. The statistical results show that the RBFN method has a better performance of reconstructing SST than the OI method in the study, and that the average RMSE is 0.48 °C for the RBFN method, which is quite smaller than the value of 0.69 °C for the OI method. Additionally, the RBFN methods with different basis functions and clustering algorithms are tested, and we discover that the INNC algorithm with multi-quadric function is quite suitable for the RBFN method to reconstruct SSTs when the SST samples are sparsely distributed.

  16. Neural Basis of Enhanced Executive Function in Older Video Game Players: An fMRI Study

    Directory of Open Access Journals (Sweden)

    Ping Wang

    2017-11-01

    Full Text Available Video games have been found to have positive influences on executive function in older adults; however, the underlying neural basis of the benefits from video games has been unclear. Adopting a task-based functional magnetic resonance imaging (fMRI study targeted at the flanker task, the present study aims to explore the neural basis of the improved executive function in older adults with video game experiences. Twenty video game players (VGPs and twenty non-video game players (NVGPs of 60 years of age or older participated in the present study, and there are no significant differences in age (t = 0.62, p = 0.536, gender ratio (t = 1.29, p = 0.206 and years of education (t = 1.92, p = 0.062 between VGPs and NVGPs. The results show that older VGPs present significantly better behavioral performance than NVGPs. Older VGPs activate greater than NVGPs in brain regions, mainly in frontal-parietal areas, including the right dorsolateral prefrontal cortex, the left supramarginal gyrus, the right angular gyrus, the right precuneus and the left paracentral lobule. The present study reveals that video game experiences may have positive influences on older adults in behavioral performance and the underlying brain activation. These results imply the potential role that video games can play as an effective tool to improve cognitive ability in older adults.

  17. Computing single step operators of logic programming in radial basis function neural networks

    International Nuclear Information System (INIS)

    Hamadneh, Nawaf; Sathasivam, Saratha; Choon, Ong Hong

    2014-01-01

    Logic programming is the process that leads from an original formulation of a computing problem to executable programs. A normal logic program consists of a finite set of clauses. A valuation I of logic programming is a mapping from ground atoms to false or true. The single step operator of any logic programming is defined as a function (T p :I→I). Logic programming is well-suited to building the artificial intelligence systems. In this study, we established a new technique to compute the single step operators of logic programming in the radial basis function neural networks. To do that, we proposed a new technique to generate the training data sets of single step operators. The training data sets are used to build the neural networks. We used the recurrent radial basis function neural networks to get to the steady state (the fixed point of the operators). To improve the performance of the neural networks, we used the particle swarm optimization algorithm to train the networks

  18. Morphing patient-specific musculoskeletal models

    DEFF Research Database (Denmark)

    Rasmussen, John; Galibarov, Pavel E.; Al-Munajjed, Amir

    the resulting models do indeed represent the patients’ biomechanics. As a particularly challenging case, foot deformities based only on point sets recovered from surface scans are considered as shown in the figure. The preliminary results are promising for the cases of severe flat foot and metatarsalgia while...... other conditions may require CT or MRI data. The method and its theoretical assumptions, advantages and limitations are presented, and several examples will illustrate morphing to patient-specific models. [1] Carbes S; Tørholm S; Rasmussen, J. A Detailed Twenty-six Segments Kinematic Foot model...

  19. Modelling of coil-loaded wire antenna using composite multiple domain basis functions

    CSIR Research Space (South Africa)

    Lysko, AA

    2010-03-01

    Full Text Available - tional Electromagnetics, Artech House, 2001. 3. Rogers, S. D. and C. M. Butler, \\An e–cient curved-wire integral equation solution technique," IEEE Trans. Ant. and Propag., 70{79, Vol. 49, Jan. 2001. 4. Mosig, J. and E. Suter, \\A multilevel divide.... 8. Wan, J. X., J. Lei, and C.-H. Liang, \\An e–cient analysis of large-scale periodic microstrip antenna arrays using the characteristic basis function method," Progress In Electromagnetics Research, PIER 50, 61{81, 2005. 9. Taguchi, M., K...

  20. Radial basis function neural networks with sequential learning MRAN and its applications

    CERN Document Server

    Sundararajan, N; Wei Lu Ying

    1999-01-01

    This book presents in detail the newly developed sequential learning algorithm for radial basis function neural networks, which realizes a minimal network. This algorithm, created by the authors, is referred to as Minimal Resource Allocation Networks (MRAN). The book describes the application of MRAN in different areas, including pattern recognition, time series prediction, system identification, control, communication and signal processing. Benchmark problems from these areas have been studied, and MRAN is compared with other algorithms. In order to make the book self-contained, a review of t

  1. Interface information transfer between non-matching, nonconforming interfaces using radial basis function interpolation

    CSIR Research Space (South Africa)

    Bogaers, Alfred EJ

    2016-10-01

    Full Text Available words, gB = [ φBA PB ] [ MAA PA P TA 0 ]−1 [ gA 0 ] . (15) NAME: DEFINITION C0 compactly supported piecewise polynomial (C0): (1− (||x|| /r))2+ C2 compactly supported piecewise polynomial (C2): (1− (||x|| /r))4+ (4 (||x|| /r) + 1) Thin-plate spline (TPS... a numerical comparison to Kriging and the moving least-squares method, see Krishnamurthy [16]). RBF interpolation is based on fitting a series of splines, or basis functions to interpolate information from one point cloud to another. Let us assume we...

  2. Design and Modeling of RF Power Amplifiers with Radial Basis Function Artificial Neural Networks

    OpenAIRE

    Ali Reza Zirak; Sobhan Roshani

    2016-01-01

    A radial basis function (RBF) artificial neural network model for a designed high efficiency radio frequency class-F power amplifier (PA) is presented in this paper. The presented amplifier is designed at 1.8 GHz operating frequency with 12 dB of gain and 36 dBm of 1dB output compression point. The obtained power added efficiency (PAE) for the presented PA is 76% under 26 dBm input power. The proposed RBF model uses input and DC power of the PA as inputs variables and considers output power a...

  3. KARHUNEN-LOÈVE Basis Functions of Kolmogorov Turbulence in the Sphere

    Science.gov (United States)

    Mathar, Richard J.

    In support of modeling atmospheric turbulence, the statistically independent Karhunen-Loève modes of refractive indices with isotropic Kolmogorov spectrum of the covariance are calculated inside a sphere of fixed radius, rendered as series of 3D Zernike functions. Many of the symmetry arguments of the well-known associated 2D problem for the circular input pupil remain valid. The technique of efficient diagonalization of the eigenvalue problem in wavenumber space is founded on the Fourier representation of the 3D Zernike basis, and extensible to the von-Kármán power spectrum.

  4. Finite element transport using Wachspress rational basis functions on quadrilaterals in diffusive regions

    International Nuclear Information System (INIS)

    Davidson, G.; Palmer, T.S.

    2005-01-01

    In 1975, Wachspress developed basis functions that can be constructed upon very general zone shapes, including convex polygons and polyhedra, as well as certain zone shapes with curved sides and faces. Additionally, Adams has recently shown that weight functions with certain properties will produce solutions with full-resolution. Wachspress rational functions possess those necessary properties. Here we present methods to construct and integrate Wachspress rational functions on quadrilaterals. We also present an asymptotic analysis of a discontinuous finite element discretization on quadrilaterals, and we present 3 numerical results that confirm the predictions of our analysis. In the first test problem, we showed that Wachspress rational functions could give robust solutions for a strongly heterogeneous problem with both orthogonal and skewed meshes. This strongly heterogenous problem contained thick, diffusive regions, and the discretization provided full-resolution solutions. In the second test problem, we confirmed our asymptotic analysis by demonstrating that the transport solution will converge to the diffusion solution as the problem is made increasingly thick and diffusive. In the third test problem, we demonstrated that bilinear discontinuous based transport and Wachspress rational function based transport converge in the one-mesh limit

  5. GRACE L1b inversion through a self-consistent modified radial basis function approach

    Science.gov (United States)

    Yang, Fan; Kusche, Juergen; Rietbroek, Roelof; Eicker, Annette

    2016-04-01

    Implementing a regional geopotential representation such as mascons or, more general, RBFs (radial basis functions) has been widely accepted as an efficient and flexible approach to recover the gravity field from GRACE (Gravity Recovery and Climate Experiment), especially at higher latitude region like Greenland. This is since RBFs allow for regionally specific regularizations over areas which have sufficient and dense GRACE observations. Although existing RBF solutions show a better resolution than classical spherical harmonic solutions, the applied regularizations cause spatial leakage which should be carefully dealt with. It has been shown that leakage is a main error source which leads to an evident underestimation of yearly trend of ice-melting over Greenland. Unlike some popular post-processing techniques to mitigate leakage signals, this study, for the first time, attempts to reduce the leakage directly in the GRACE L1b inversion by constructing an innovative modified (MRBF) basis in place of the standard RBFs to retrieve a more realistic temporal gravity signal along the coastline. Our point of departure is that the surface mass loading associated with standard RBF is smooth but disregards physical consistency between continental mass and passive ocean response. In this contribution, based on earlier work by Clarke et al.(2007), a physically self-consistent MRBF representation is constructed from standard RBFs, with the help of the sea level equation: for a given standard RBF basis, the corresponding MRBF basis is first obtained by keeping the surface load over the continent unchanged, but imposing global mass conservation and equilibrium response of the oceans. Then, the updated set of MRBFs as well as standard RBFs are individually employed as the basis function to determine the temporal gravity field from GRACE L1b data. In this way, in the MRBF GRACE solution, the passive (e.g. ice melting and land hydrology response) sea level is automatically

  6. Machine learning (ML)-guided OPC using basis functions of polar Fourier transform

    Science.gov (United States)

    Choi, Suhyeong; Shim, Seongbo; Shin, Youngsoo

    2016-03-01

    With shrinking feature size, runtime has become a limitation of model-based OPC (MB-OPC). A few machine learning-guided OPC (ML-OPC) have been studied as candidates for next-generation OPC, but they all employ too many parameters (e.g. local densities), which set their own limitations. We propose to use basis functions of polar Fourier transform (PFT) as parameters of ML-OPC. Since PFT functions are orthogonal each other and well reflect light phenomena, the number of parameters can significantly be reduced without loss of OPC accuracy. Experiments demonstrate that our new ML-OPC achieves 80% reduction in OPC time and 35% reduction in the error of predicted mask bias when compared to conventional ML-OPC.

  7. Functional imaging in oncology. Biophysical basis and technical approaches. Vol. 1

    Energy Technology Data Exchange (ETDEWEB)

    Luna, Antonio [Health Time Group, Jaen (Spain); University Hospitals, Case Western Reserve Univ., Cleveland, OH (United States). Dept. of Radiology; Vilanova, Joan C. [Clinica Girona - Hospital Sta. Caterina, Girona (Spain); Hygino da Cruz, L. Celso Jr. [CDPI and IRM, Rio de Janeiro, RJ (Brazil). Dept. of Radiology; Rossi, Santiago E. (ed.) [Centro de Diagnostico, Buenos Aires (Argentina)

    2014-07-01

    Easy-to-read manual on new functional imaging techniques in oncology. Explains current clinical applications and outlines future avenues. Includes numerous high-quality illustrations to highlight the major teaching points. In the new era of functional and molecular imaging, both currently available imaging biomarkers and biomarkers under development are expected to lead to major changes in the management of oncological patients. This well-illustrated two-volume book is a practical manual on the various imaging techniques capable of delivering functional information on cancer, including preclinical and clinical imaging techniques, based on US, CT, MRI, PET and hybrid modalities. This first volume explains the biophysical basis for these functional imaging techniques and describes the techniques themselves. Detailed information is provided on the imaging of cancer hallmarks, including angiogenesis, tumor metabolism, and hypoxia. The techniques and their roles are then discussed individually, covering the full range of modalities in clinical use as well as new molecular and functional techniques. The value of a multiparametric approach is also carefully considered.

  8. Cellular and molecular basis of chronic constipation: taking the functional/idiopathic label out.

    Science.gov (United States)

    Bassotti, Gabrio; Villanacci, Vincenzo; Creţoiu, Dragos; Creţoiu, Sanda Maria; Becheanu, Gabriel

    2013-07-14

    In recent years, the improvement of technology and the increase in knowledge have shifted several strongly held paradigms. This is particularly true in gastroenterology, and specifically in the field of the so-called "functional" or "idiopathic" disease, where conditions thought for decades to be based mainly on alterations of visceral perception or aberrant psychosomatic mechanisms have, in fact, be reconducted to an organic basis (or, at the very least, have shown one or more demonstrable abnormalities). This is particularly true, for instance, for irritable bowel syndrome, the prototype entity of "functional" gastrointestinal disorders, where low-grade inflammation of both mucosa and myenteric plexus has been repeatedly demonstrated. Thus, researchers have also investigated other functional/idiopathic gastrointestinal disorders, and found that some organic ground is present, such as abnormal neurotransmission and myenteric plexitis in esophageal achalasia and mucosal immune activation and mild eosinophilia in functional dyspepsia. Here we show evidence, based on our own and other authors' work, that chronic constipation has several abnormalities reconductable to alterations in the enteric nervous system, abnormalities mainly characterized by a constant decrease of enteric glial cells and interstitial cells of Cajal (and, sometimes, of enteric neurons). Thus, we feel that (at least some forms of) chronic constipation should no more be considered as a functional/idiopathic gastrointestinal disorder, but instead as a true enteric neuropathic abnormality.

  9. Functional imaging in oncology. Biophysical basis and technical approaches. Vol. 1

    International Nuclear Information System (INIS)

    Luna, Antonio; Hygino da Cruz, L. Celso Jr.

    2014-01-01

    Easy-to-read manual on new functional imaging techniques in oncology. Explains current clinical applications and outlines future avenues. Includes numerous high-quality illustrations to highlight the major teaching points. In the new era of functional and molecular imaging, both currently available imaging biomarkers and biomarkers under development are expected to lead to major changes in the management of oncological patients. This well-illustrated two-volume book is a practical manual on the various imaging techniques capable of delivering functional information on cancer, including preclinical and clinical imaging techniques, based on US, CT, MRI, PET and hybrid modalities. This first volume explains the biophysical basis for these functional imaging techniques and describes the techniques themselves. Detailed information is provided on the imaging of cancer hallmarks, including angiogenesis, tumor metabolism, and hypoxia. The techniques and their roles are then discussed individually, covering the full range of modalities in clinical use as well as new molecular and functional techniques. The value of a multiparametric approach is also carefully considered.

  10. A Comparison of the Behavior of Functional/Basis Set Combinations for Hydrogen-Bonding in the Water Dimer with Emphasis on Basis Set Superposition Error

    OpenAIRE

    Plumley, Joshua A.; Dannenberg, J. J.

    2011-01-01

    We evaluate the performance of nine functionals (B3LYP, M05, M05-2X, M06, M06-2X, B2PLYP, B2PLYPD, X3LYP, B97D and MPWB1K) in combination with 16 basis sets ranging in complexity from 6-31G(d) to aug-cc-pV5Z for the calculation of the H-bonded water dimer with the goal of defining which combinations of functionals and basis sets provide a combination of economy and accuracy for H-bonded systems. We have compared the results to the best non-DFT molecular orbital calculations and to experimenta...

  11. The static response function in Kohn-Sham theory: An appropriate basis for its matrix representation in case of finite AO basis sets

    International Nuclear Information System (INIS)

    Kollmar, Christian; Neese, Frank

    2014-01-01

    The role of the static Kohn-Sham (KS) response function describing the response of the electron density to a change of the local KS potential is discussed in both the theory of the optimized effective potential (OEP) and the so-called inverse Kohn-Sham problem involving the task to find the local KS potential for a given electron density. In a general discussion of the integral equation to be solved in both cases, it is argued that a unique solution of this equation can be found even in case of finite atomic orbital basis sets. It is shown how a matrix representation of the response function can be obtained if the exchange-correlation potential is expanded in terms of a Schmidt-orthogonalized basis comprising orbitals products of occupied and virtual orbitals. The viability of this approach in both OEP theory and the inverse KS problem is illustrated by numerical examples

  12. Functional Basis for Efficient Physical Layer Classical Control in Quantum Processors

    Science.gov (United States)

    Ball, Harrison; Nguyen, Trung; Leong, Philip H. W.; Biercuk, Michael J.

    2016-12-01

    The rapid progress seen in the development of quantum-coherent devices for information processing has motivated serious consideration of quantum computer architecture and organization. One topic which remains open for investigation and optimization relates to the design of the classical-quantum interface, where control operations on individual qubits are applied according to higher-level algorithms; accommodating competing demands on performance and scalability remains a major outstanding challenge. In this work, we present a resource-efficient, scalable framework for the implementation of embedded physical layer classical controllers for quantum-information systems. Design drivers and key functionalities are introduced, leading to the selection of Walsh functions as an effective functional basis for both programing and controller hardware implementation. This approach leverages the simplicity of real-time Walsh-function generation in classical digital hardware, and the fact that a wide variety of physical layer controls, such as dynamic error suppression, are known to fall within the Walsh family. We experimentally implement a real-time field-programmable-gate-array-based Walsh controller producing Walsh timing signals and Walsh-synthesized analog waveforms appropriate for critical tasks in error-resistant quantum control and noise characterization. These demonstrations represent the first step towards a unified framework for the realization of physical layer controls compatible with large-scale quantum-information processing.

  13. The neural basis of human social values: evidence from functional MRI.

    Science.gov (United States)

    Zahn, Roland; Moll, Jorge; Paiva, Mirella; Garrido, Griselda; Krueger, Frank; Huey, Edward D; Grafman, Jordan

    2009-02-01

    Social values are composed of social concepts (e.g., "generosity") and context-dependent moral sentiments (e.g., "pride"). The neural basis of this intricate cognitive architecture has not been investigated thus far. Here, we used functional magnetic resonance imaging while subjects imagined their own actions toward another person (self-agency) which either conformed or were counter to a social value and were associated with pride or guilt, respectively. Imagined actions of another person toward the subjects (other-agency) in accordance with or counter to a value were associated with gratitude or indignation/anger. As hypothesized, superior anterior temporal lobe (aTL) activity increased with conceptual detail in all conditions. During self-agency, activity in the anterior ventromedial prefrontal cortex correlated with pride and guilt, whereas activity in the subgenual cingulate solely correlated with guilt. In contrast, indignation/anger activated lateral orbitofrontal-insular cortices. Pride and gratitude additionally evoked mesolimbic and basal forebrain activations. Our results demonstrate that social values emerge from coactivation of stable abstract social conceptual representations in the superior aTL and context-dependent moral sentiments encoded in fronto-mesolimbic regions. This neural architecture may provide the basis of our ability to communicate about the meaning of social values across cultural contexts without limiting our flexibility to adapt their emotional interpretation.

  14. Applications of patient-specific 3D printing in medicine.

    Science.gov (United States)

    Heller, Martin; Bauer, Heide-Katharina; Goetze, Elisabeth; Gielisch, Matthias; Roth, Klaus E; Drees, Philipp; Maier, Gerrit S; Dorweiler, Bernhard; Ghazy, Ahmed; Neufurth, Meik; Müller, Werner E G; Schröder, Heinz C; Wang, Xiaohong; Vahl, Christian-Friedrich; Al-Nawas, Bilal

    Already three decades ago, the potential of medical 3D printing (3DP) or rapid prototyping for improved patient treatment began to be recognized. Since then, more and more medical indications in different surgical disciplines have been improved by using this new technique. Numerous examples have demonstrated the enormous benefit of 3DP in the medical care of patients by, for example, planning complex surgical interventions preoperatively, reducing implantation steps and anesthesia times, and helping with intraoperative orientation. At the beginning of every individual 3D model, patient-specific data on the basis of computed tomography (CT), magnetic resonance imaging (MRI), or ultrasound data is generated, which is then digitalized and processed using computer-aided design/computer-aided manufacturing (CAD/CAM) software. Finally, the resulting data sets are used to generate 3D-printed models or even implants. There are a variety of different application areas in the various medical fields, eg, drill or positioning templates, or surgical guides in maxillofacial surgery, or patient-specific implants in orthopedics. Furthermore, in vascular surgery it is possible to visualize pathologies such as aortic aneurysms so as to improve the planning of surgical treatment. Although rapid prototyping of individual models and implants is already applied very successfully in regenerative medicine, most of the materials used for 3DP are not yet suitable for implantation in the body. Therefore, it will be necessary in future to develop novel therapy approaches and design new materials in order to completely reconstruct natural tissue.

  15. Patient specific ankle-foot orthoses using rapid prototyping.

    Science.gov (United States)

    Mavroidis, Constantinos; Ranky, Richard G; Sivak, Mark L; Patritti, Benjamin L; DiPisa, Joseph; Caddle, Alyssa; Gilhooly, Kara; Govoni, Lauren; Sivak, Seth; Lancia, Michael; Drillio, Robert; Bonato, Paolo

    2011-01-12

    Prefabricated orthotic devices are currently designed to fit a range of patients and therefore they do not provide individualized comfort and function. Custom-fit orthoses are superior to prefabricated orthotic devices from both of the above-mentioned standpoints. However, creating a custom-fit orthosis is a laborious and time-intensive manual process performed by skilled orthotists. Besides, adjustments made to both prefabricated and custom-fit orthoses are carried out in a qualitative manner. So both comfort and function can potentially suffer considerably. A computerized technique for fabricating patient-specific orthotic devices has the potential to provide excellent comfort and allow for changes in the standard design to meet the specific needs of each patient. In this paper, 3D laser scanning is combined with rapid prototyping to create patient-specific orthoses. A novel process was engineered to utilize patient-specific surface data of the patient anatomy as a digital input, manipulate the surface data to an optimal form using Computer Aided Design (CAD) software, and then download the digital output from the CAD software to a rapid prototyping machine for fabrication. Two AFOs were rapidly prototyped to demonstrate the proposed process. Gait analysis data of a subject wearing the AFOs indicated that the rapid prototyped AFOs performed comparably to the prefabricated polypropylene design. The rapidly prototyped orthoses fabricated in this study provided good fit of the subject's anatomy compared to a prefabricated AFO while delivering comparable function (i.e. mechanical effect on the biomechanics of gait). The rapid fabrication capability is of interest because it has potential for decreasing fabrication time and cost especially when a replacement of the orthosis is required.

  16. Patient specific ankle-foot orthoses using rapid prototyping

    Directory of Open Access Journals (Sweden)

    Sivak Seth

    2011-01-01

    Full Text Available Abstract Background Prefabricated orthotic devices are currently designed to fit a range of patients and therefore they do not provide individualized comfort and function. Custom-fit orthoses are superior to prefabricated orthotic devices from both of the above-mentioned standpoints. However, creating a custom-fit orthosis is a laborious and time-intensive manual process performed by skilled orthotists. Besides, adjustments made to both prefabricated and custom-fit orthoses are carried out in a qualitative manner. So both comfort and function can potentially suffer considerably. A computerized technique for fabricating patient-specific orthotic devices has the potential to provide excellent comfort and allow for changes in the standard design to meet the specific needs of each patient. Methods In this paper, 3D laser scanning is combined with rapid prototyping to create patient-specific orthoses. A novel process was engineered to utilize patient-specific surface data of the patient anatomy as a digital input, manipulate the surface data to an optimal form using Computer Aided Design (CAD software, and then download the digital output from the CAD software to a rapid prototyping machine for fabrication. Results Two AFOs were rapidly prototyped to demonstrate the proposed process. Gait analysis data of a subject wearing the AFOs indicated that the rapid prototyped AFOs performed comparably to the prefabricated polypropylene design. Conclusions The rapidly prototyped orthoses fabricated in this study provided good fit of the subject's anatomy compared to a prefabricated AFO while delivering comparable function (i.e. mechanical effect on the biomechanics of gait. The rapid fabrication capability is of interest because it has potential for decreasing fabrication time and cost especially when a replacement of the orthosis is required.

  17. Calculating vibrational spectra with sum of product basis functions without storing full-dimensional vectors or matrices.

    Science.gov (United States)

    Leclerc, Arnaud; Carrington, Tucker

    2014-05-07

    We propose an iterative method for computing vibrational spectra that significantly reduces the memory cost of calculations. It uses a direct product primitive basis, but does not require storing vectors with as many components as there are product basis functions. Wavefunctions are represented in a basis each of whose functions is a sum of products (SOP) and the factorizable structure of the Hamiltonian is exploited. If the factors of the SOP basis functions are properly chosen, wavefunctions are linear combinations of a small number of SOP basis functions. The SOP basis functions are generated using a shifted block power method. The factors are refined with a rank reduction algorithm to cap the number of terms in a SOP basis function. The ideas are tested on a 20-D model Hamiltonian and a realistic CH3CN (12 dimensional) potential. For the 20-D problem, to use a standard direct product iterative approach one would need to store vectors with about 10(20) components and would hence require about 8 × 10(11) GB. With the approach of this paper only 1 GB of memory is necessary. Results for CH3CN agree well with those of a previous calculation on the same potential.

  18. Radial basis functions in mathematical modelling of flow boiling in minichannels

    Directory of Open Access Journals (Sweden)

    Hożejowska Sylwia

    2017-01-01

    Full Text Available The paper addresses heat transfer processes in flow boiling in a vertical minichannel of 1.7 mm depth with a smooth heated surface contacting fluid. The heated element for FC-72 flowing in a minichannel was a 0.45 mm thick plate made of Haynes-230 alloy. An infrared camera positioned opposite the central, axially symmetric part of the channel measured the plate temperature. K-type thermocouples and pressure converters were installed at the inlet and outlet of the minichannel. In the study radial basis functions were used to solve a problem concerning heat transfer in a heated plate supplied with the controlled direct current. According to the model assumptions, the problem is treated as twodimensional and governed by the Poisson equation. The aim of the study lies in determining the temperature field and the heat transfer coefficient. The results were verified by comparing them with those obtained by the Trefftz method.

  19. Sample Data Synchronization and Harmonic Analysis Algorithm Based on Radial Basis Function Interpolation

    Directory of Open Access Journals (Sweden)

    Huaiqing Zhang

    2014-01-01

    Full Text Available The spectral leakage has a harmful effect on the accuracy of harmonic analysis for asynchronous sampling. This paper proposed a time quasi-synchronous sampling algorithm which is based on radial basis function (RBF interpolation. Firstly, a fundamental period is evaluated by a zero-crossing technique with fourth-order Newton’s interpolation, and then, the sampling sequence is reproduced by the RBF interpolation. Finally, the harmonic parameters can be calculated by FFT on the synchronization of sampling data. Simulation results showed that the proposed algorithm has high accuracy in measuring distorted and noisy signals. Compared to the local approximation schemes as linear, quadric, and fourth-order Newton interpolations, the RBF is a global approximation method which can acquire more accurate results while the time-consuming is about the same as Newton’s.

  20. Matrix elements of N-particle explicitly correlated Gaussian basis functions with complex exponential parameters.

    Science.gov (United States)

    Bubin, Sergiy; Adamowicz, Ludwik

    2006-06-14

    In this work we present analytical expressions for Hamiltonian matrix elements with spherically symmetric, explicitly correlated Gaussian basis functions with complex exponential parameters for an arbitrary number of particles. The expressions are derived using the formalism of matrix differential calculus. In addition, we present expressions for the energy gradient that includes derivatives of the Hamiltonian integrals with respect to the exponential parameters. The gradient is used in the variational optimization of the parameters. All the expressions are presented in the matrix form suitable for both numerical implementation and theoretical analysis. The energy and gradient formulas have been programmed and used to calculate ground and excited states of the He atom using an approach that does not involve the Born-Oppenheimer approximation.

  1. Matrix elements of N-particle explicitly correlated Gaussian basis functions with complex exponential parameters

    Science.gov (United States)

    Bubin, Sergiy; Adamowicz, Ludwik

    2006-06-01

    In this work we present analytical expressions for Hamiltonian matrix elements with spherically symmetric, explicitly correlated Gaussian basis functions with complex exponential parameters for an arbitrary number of particles. The expressions are derived using the formalism of matrix differential calculus. In addition, we present expressions for the energy gradient that includes derivatives of the Hamiltonian integrals with respect to the exponential parameters. The gradient is used in the variational optimization of the parameters. All the expressions are presented in the matrix form suitable for both numerical implementation and theoretical analysis. The energy and gradient formulas have been programed and used to calculate ground and excited states of the He atom using an approach that does not involve the Born-Oppenheimer approximation.

  2. Big geo data surface approximation using radial basis functions: A comparative study

    Science.gov (United States)

    Majdisova, Zuzana; Skala, Vaclav

    2017-12-01

    Approximation of scattered data is often a task in many engineering problems. The Radial Basis Function (RBF) approximation is appropriate for big scattered datasets in n-dimensional space. It is a non-separable approximation, as it is based on the distance between two points. This method leads to the solution of an overdetermined linear system of equations. In this paper the RBF approximation methods are briefly described, a new approach to the RBF approximation of big datasets is presented, and a comparison for different Compactly Supported RBFs (CS-RBFs) is made with respect to the accuracy of the computation. The proposed approach uses symmetry of a matrix, partitioning the matrix into blocks and data structures for storage of the sparse matrix. The experiments are performed for synthetic and real datasets.

  3. A fast identification algorithm for Box-Cox transformation based radial basis function neural network.

    Science.gov (United States)

    Hong, Xia

    2006-07-01

    In this letter, a Box-Cox transformation-based radial basis function (RBF) neural network is introduced using the RBF neural network to represent the transformed system output. Initially a fixed and moderate sized RBF model base is derived based on a rank revealing orthogonal matrix triangularization (QR decomposition). Then a new fast identification algorithm is introduced using Gauss-Newton algorithm to derive the required Box-Cox transformation, based on a maximum likelihood estimator. The main contribution of this letter is to explore the special structure of the proposed RBF neural network for computational efficiency by utilizing the inverse of matrix block decomposition lemma. Finally, the Box-Cox transformation-based RBF neural network, with good generalization and sparsity, is identified based on the derived optimal Box-Cox transformation and a D-optimality-based orthogonal forward regression algorithm. The proposed algorithm and its efficacy are demonstrated with an illustrative example in comparison with support vector machine regression.

  4. Radial Basis Function (RBF Interpolation and Investigating its Impact on Rainfall Duration Mapping

    Directory of Open Access Journals (Sweden)

    Hassan Derakhshan

    2012-01-01

    Full Text Available The missing data in database must be reproduced primarily by appropriate interpolation techniques. Radial basis function (RBF interpolators can play a significant role in data completion of precipitation mapping. Five RBF techniques were engaged to be employed in compensating the missing data in event-wised dataset of Upper Paramatta River Catchment in the western suburbs of Sydney, Australia. The related shape parameter, C, of RBFs was optimized for first event of database during a cross-validation process. The Normalized mean square error (NMSE, percent average estimation error (PAEE and coefficient of determination (R2 were the statistics used as validation tools. Results showed that the multiquadric RBF technique with the least error, best suits compensation of the related database.

  5. Radial basis function (RBF) neural network control for mechanical systems design, analysis and Matlab simulation

    CERN Document Server

    Liu, Jinkun

    2013-01-01

    Radial Basis Function (RBF) Neural Network Control for Mechanical Systems is motivated by the need for systematic design approaches to stable adaptive control system design using neural network approximation-based techniques. The main objectives of the book are to introduce the concrete design methods and MATLAB simulation of stable adaptive RBF neural control strategies. In this book, a broad range of implementable neural network control design methods for mechanical systems are presented, such as robot manipulators, inverted pendulums, single link flexible joint robots, motors, etc. Advanced neural network controller design methods and their stability analysis are explored. The book provides readers with the fundamentals of neural network control system design.   This book is intended for the researchers in the fields of neural adaptive control, mechanical systems, Matlab simulation, engineering design, robotics and automation. Jinkun Liu is a professor at Beijing University of Aeronautics and Astronauti...

  6. Upset Prediction in Friction Welding Using Radial Basis Function Neural Network

    Directory of Open Access Journals (Sweden)

    Wei Liu

    2013-01-01

    Full Text Available This paper addresses the upset prediction problem of friction welded joints. Based on finite element simulations of inertia friction welding (IFW, a radial basis function (RBF neural network was developed initially to predict the final upset for a number of welding parameters. The predicted joint upset by the RBF neural network was compared to validated finite element simulations, producing an error of less than 8.16% which is reasonable. Furthermore, the effects of initial rotational speed and axial pressure on the upset were investigated in relation to energy conversion with the RBF neural network. The developed RBF neural network was also applied to linear friction welding (LFW and continuous drive friction welding (CDFW. The correlation coefficients of RBF prediction for LFW and CDFW were 0.963 and 0.998, respectively, which further suggest that an RBF neural network is an effective method for upset prediction of friction welded joints.

  7. Fault diagnosis and performance evaluation for high current LIA based on radial basis function neural network

    International Nuclear Information System (INIS)

    Yang Xinglin; Wang Huacen; Chen Nan; Dai Wenhua; Li Jin

    2006-01-01

    High current linear induction accelerator (LIA) is a complicated experimental physics device. It is difficult to evaluate and predict its performance. this paper presents a method which combines wavelet packet transform and radial basis function (RBF) neural network to build fault diagnosis and performance evaluation in order to improve reliability of high current LIA. The signal characteristics vectors which are extracted based on energy parameters of wavelet packet transform can well present the temporal and steady features of pulsed power signal, and reduce data dimensions effectively. The fault diagnosis system for accelerating cell and the trend classification system for the beam current based on RBF networks can perform fault diagnosis and evaluation, and provide predictive information for precise maintenance of high current LIA. (authors)

  8. THE ALGORITHM OF MESHFREE METHOD OF RADIAL BASIS FUNCTIONS IN TASKS OF UNDERGROUND HYDROMECHANICS

    Directory of Open Access Journals (Sweden)

    N. V. Medvid

    2016-01-01

    Full Text Available A Mathematical model of filtering consolidation in the body of soil dam with conduit andwashout zone in two-dimensional case is considered. The impact of such technogenic factors as temperature, salt concentration, subsidence of upper boundary and interior points of the dam with time is taken into account. The software to automate the calculation of numerical solution of the boundary problem by radial basis functions has been created, which enables to conduct numerical experiments by varying the input parameters and shape. The influence of the presence of conduit and washout zone on the pressure, temperature and concentration of salts in the dam body at different time intervals isinvestigated. A number of numerical experiments is conducted and the analysis of dam accidents is performed.

  9. Physiological basis and image processing in functional magnetic resonance imaging: Neuronal and motor activity in brain

    Directory of Open Access Journals (Sweden)

    Sharma Rakesh

    2004-05-01

    Full Text Available Abstract Functional magnetic resonance imaging (fMRI is recently developing as imaging modality used for mapping hemodynamics of neuronal and motor event related tissue blood oxygen level dependence (BOLD in terms of brain activation. Image processing is performed by segmentation and registration methods. Segmentation algorithms provide brain surface-based analysis, automated anatomical labeling of cortical fields in magnetic resonance data sets based on oxygen metabolic state. Registration algorithms provide geometric features using two or more imaging modalities to assure clinically useful neuronal and motor information of brain activation. This review article summarizes the physiological basis of fMRI signal, its origin, contrast enhancement, physical factors, anatomical labeling by segmentation, registration approaches with examples of visual and motor activity in brain. Latest developments are reviewed for clinical applications of fMRI along with other different neurophysiological and imaging modalities.

  10. Efficient O(N) integration for all-electron electronic structure calculation using numeric basis functions

    International Nuclear Information System (INIS)

    Havu, V.; Blum, V.; Havu, P.; Scheffler, M.

    2009-01-01

    We consider the problem of developing O(N) scaling grid-based operations needed in many central operations when performing electronic structure calculations with numeric atom-centered orbitals as basis functions. We outline the overall formulation of localized algorithms, and specifically the creation of localized grid batches. The choice of the grid partitioning scheme plays an important role in the performance and memory consumption of the grid-based operations. Three different top-down partitioning methods are investigated, and compared with formally more rigorous yet much more expensive bottom-up algorithms. We show that a conceptually simple top-down grid partitioning scheme achieves essentially the same efficiency as the more rigorous bottom-up approaches.

  11. Sea Surface Temperature Modeling using Radial Basis Function Networks With a Dynamically Weighted Particle Filter

    KAUST Repository

    Ryu, Duchwan

    2013-03-01

    The sea surface temperature (SST) is an important factor of the earth climate system. A deep understanding of SST is essential for climate monitoring and prediction. In general, SST follows a nonlinear pattern in both time and location and can be modeled by a dynamic system which changes with time and location. In this article, we propose a radial basis function network-based dynamic model which is able to catch the nonlinearity of the data and propose to use the dynamically weighted particle filter to estimate the parameters of the dynamic model. We analyze the SST observed in the Caribbean Islands area after a hurricane using the proposed dynamic model. Comparing to the traditional grid-based approach that requires a supercomputer due to its high computational demand, our approach requires much less CPU time and makes real-time forecasting of SST doable on a personal computer. Supplementary materials for this article are available online. © 2013 American Statistical Association.

  12. Improvement of the Model of Enterprise Management Process on the Basis of General Management Functions

    Directory of Open Access Journals (Sweden)

    Ruslan Skrynkovskyy

    2017-12-01

    Full Text Available The purpose of the article is to improve the model of the enterprise (institution, organization management process on the basis of general management functions. The graphic model of the process of management according to the process-structured management is presented. It has been established that in today's business environment, the model of the management process should include such general management functions as: 1 controlling the achievement of results; 2 planning based on the main goal; 3 coordination and corrective actions (in the system of organization of work and production; 4 action as a form of act (conscious, volitional, directed; 5 accounting system (accounting, statistical, operational-technical and managerial; 6 diagnosis (economic, legal with such subfunctions as: identification of the state and capabilities; analysis (economic, legal, systemic with argumentation; assessment of the state, trends and prospects of development. The prospect of further research in this direction is: 1 the formation of a system of interrelation of functions and management methods, taking into account the presented research results; 2 development of the model of effective and efficient communication business process of the enterprise.

  13. Vibration control of uncertain multiple launch rocket system using radial basis function neural network

    Science.gov (United States)

    Li, Bo; Rui, Xiaoting

    2018-01-01

    Poor dispersion characteristics of rockets due to the vibration of Multiple Launch Rocket System (MLRS) have always restricted the MLRS development for several decades. Vibration control is a key technique to improve the dispersion characteristics of rockets. For a mechanical system such as MLRS, the major difficulty in designing an appropriate control strategy that can achieve the desired vibration control performance is to guarantee the robustness and stability of the control system under the occurrence of uncertainties and nonlinearities. To approach this problem, a computed torque controller integrated with a radial basis function neural network is proposed to achieve the high-precision vibration control for MLRS. In this paper, the vibration response of a computed torque controlled MLRS is described. The azimuth and elevation mechanisms of the MLRS are driven by permanent magnet synchronous motors and supposed to be rigid. First, the dynamic model of motor-mechanism coupling system is established using Lagrange method and field-oriented control theory. Then, in order to deal with the nonlinearities, a computed torque controller is designed to control the vibration of the MLRS when it is firing a salvo of rockets. Furthermore, to compensate for the lumped uncertainty due to parametric variations and un-modeled dynamics in the design of the computed torque controller, a radial basis function neural network estimator is developed to adapt the uncertainty based on Lyapunov stability theory. Finally, the simulated results demonstrate the effectiveness of the proposed control system and show that the proposed controller is robust with regard to the uncertainty.

  14. Polarization functions for the modified m6-31G basis sets for atoms Ga through Kr.

    Science.gov (United States)

    Mitin, Alexander V

    2013-09-05

    The 2df polarization functions for the modified m6-31G basis sets of the third-row atoms Ga through Kr (Int J Quantum Chem, 2007, 107, 3028; Int J. Quantum Chem, 2009, 109, 1158) are proposed. The performances of the m6-31G, m6-31G(d,p), and m6-31G(2df,p) basis sets were examined in molecular calculations carried out by the density functional theory (DFT) method with B3LYP hybrid functional, Møller-Plesset perturbation theory of the second order (MP2), quadratic configuration interaction method with single and double substitutions and were compared with those for the known 6-31G basis sets as well as with the other similar 641 and 6-311G basis sets with and without polarization functions. Obtained results have shown that the performances of the m6-31G, m6-31G(d,p), and m6-31G(2df,p) basis sets are better in comparison with the performances of the known 6-31G, 6-31G(d,p) and 6-31G(2df,p) basis sets. These improvements are mainly reached due to better approximations of different electrons belonging to the different atomic shells in the modified basis sets. Applicability of the modified basis sets in thermochemical calculations is also discussed. © 2013 Wiley Periodicals, Inc.

  15. Consistent structures and interactions by density functional theory with small atomic orbital basis sets.

    Science.gov (United States)

    Grimme, Stefan; Brandenburg, Jan Gerit; Bannwarth, Christoph; Hansen, Andreas

    2015-08-07

    A density functional theory (DFT) based composite electronic structure approach is proposed to efficiently compute structures and interaction energies in large chemical systems. It is based on the well-known and numerically robust Perdew-Burke-Ernzerhoff (PBE) generalized-gradient-approximation in a modified global hybrid functional with a relatively large amount of non-local Fock-exchange. The orbitals are expanded in Ahlrichs-type valence-double zeta atomic orbital (AO) Gaussian basis sets, which are available for many elements. In order to correct for the basis set superposition error (BSSE) and to account for the important long-range London dispersion effects, our well-established atom-pairwise potentials are used. In the design of the new method, particular attention has been paid to an accurate description of structural parameters in various covalent and non-covalent bonding situations as well as in periodic systems. Together with the recently proposed three-fold corrected (3c) Hartree-Fock method, the new composite scheme (termed PBEh-3c) represents the next member in a hierarchy of "low-cost" electronic structure approaches. They are mainly free of BSSE and account for most interactions in a physically sound and asymptotically correct manner. PBEh-3c yields good results for thermochemical properties in the huge GMTKN30 energy database. Furthermore, the method shows excellent performance for non-covalent interaction energies in small and large complexes. For evaluating its performance on equilibrium structures, a new compilation of standard test sets is suggested. These consist of small (light) molecules, partially flexible, medium-sized organic molecules, molecules comprising heavy main group elements, larger systems with long bonds, 3d-transition metal systems, non-covalently bound complexes (S22 and S66×8 sets), and peptide conformations. For these sets, overall deviations from accurate reference data are smaller than for various other tested DFT methods

  16. Consistent structures and interactions by density functional theory with small atomic orbital basis sets

    International Nuclear Information System (INIS)

    Grimme, Stefan; Brandenburg, Jan Gerit; Bannwarth, Christoph; Hansen, Andreas

    2015-01-01

    A density functional theory (DFT) based composite electronic structure approach is proposed to efficiently compute structures and interaction energies in large chemical systems. It is based on the well-known and numerically robust Perdew-Burke-Ernzerhoff (PBE) generalized-gradient-approximation in a modified global hybrid functional with a relatively large amount of non-local Fock-exchange. The orbitals are expanded in Ahlrichs-type valence-double zeta atomic orbital (AO) Gaussian basis sets, which are available for many elements. In order to correct for the basis set superposition error (BSSE) and to account for the important long-range London dispersion effects, our well-established atom-pairwise potentials are used. In the design of the new method, particular attention has been paid to an accurate description of structural parameters in various covalent and non-covalent bonding situations as well as in periodic systems. Together with the recently proposed three-fold corrected (3c) Hartree-Fock method, the new composite scheme (termed PBEh-3c) represents the next member in a hierarchy of “low-cost” electronic structure approaches. They are mainly free of BSSE and account for most interactions in a physically sound and asymptotically correct manner. PBEh-3c yields good results for thermochemical properties in the huge GMTKN30 energy database. Furthermore, the method shows excellent performance for non-covalent interaction energies in small and large complexes. For evaluating its performance on equilibrium structures, a new compilation of standard test sets is suggested. These consist of small (light) molecules, partially flexible, medium-sized organic molecules, molecules comprising heavy main group elements, larger systems with long bonds, 3d-transition metal systems, non-covalently bound complexes (S22 and S66×8 sets), and peptide conformations. For these sets, overall deviations from accurate reference data are smaller than for various other tested DFT

  17. Surgeon Design Interface for Patient-Specific Concentric Tube Robots.

    Science.gov (United States)

    Morimoto, Tania K; Greer, Joseph D; Hsieh, Michael H; Okamura, Allison M

    2016-06-01

    Concentric tube robots have potential for use in a wide variety of surgical procedures due to their small size, dexterity, and ability to move in highly curved paths. Unlike most existing clinical robots, the design of these robots can be developed and manufactured on a patient- and procedure-specific basis. The design of concentric tube robots typically requires significant computation and optimization, and it remains unclear how the surgeon should be involved. We propose to use a virtual reality-based design environment for surgeons to easily and intuitively visualize and design a set of concentric tube robots for a specific patient and procedure. In this paper, we describe a novel patient-specific design process in the context of the virtual reality interface. We also show a resulting concentric tube robot design, created by a pediatric urologist to access a kidney stone in a pediatric patient.

  18. Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation

    International Nuclear Information System (INIS)

    Lin Lin; Lu Jianfeng; Ying Lexing; Weinan, E

    2012-01-01

    Kohn–Sham density functional theory is one of the most widely used electronic structure theories. In the pseudopotential framework, uniform discretization of the Kohn–Sham Hamiltonian generally results in a large number of basis functions per atom in order to resolve the rapid oscillations of the Kohn–Sham orbitals around the nuclei. Previous attempts to reduce the number of basis functions per atom include the usage of atomic orbitals and similar objects, but the atomic orbitals generally require fine tuning in order to reach high accuracy. We present a novel discretization scheme that adaptively and systematically builds the rapid oscillations of the Kohn–Sham orbitals around the nuclei as well as environmental effects into the basis functions. The resulting basis functions are localized in the real space, and are discontinuous in the global domain. The continuous Kohn–Sham orbitals and the electron density are evaluated from the discontinuous basis functions using the discontinuous Galerkin (DG) framework. Our method is implemented in parallel and the current implementation is able to handle systems with at least thousands of atoms. Numerical examples indicate that our method can reach very high accuracy (less than 1 meV) with a very small number (4–40) of basis functions per atom.

  19. On grouping individual wire segments into equivalent wires or chains, and introduction of multiple domain basis functions

    CSIR Research Space (South Africa)

    Lysko, AA

    2009-06-01

    Full Text Available The paper introduces a method to cover several wire segments with a single basis function, describes related practical algorithms, and gives some results. The process involves three steps: identifying chains of wire segments, splitting the chains...

  20. Patient-Specific Modeling of Intraventricular Hemodynamics

    Science.gov (United States)

    Vedula, Vijay; Marsden, Alison

    2017-11-01

    Heart disease is the one of the leading causes of death in the world. Apart from malfunctions in electrophysiology and myocardial mechanics, abnormal hemodynamics is a major factor attributed to heart disease across all ages. Computer simulations offer an efficient means to accurately reproduce in vivo flow conditions and also make predictions of post-operative outcomes and disease progression. We present an experimentally validated computational framework for performing patient-specific modeling of intraventricular hemodynamics. Our modeling framework employs the SimVascular open source software to build an anatomic model and employs robust image registration methods to extract ventricular motion from the image data. We then employ a stabilized finite element solver to simulate blood flow in the ventricles, solving the Navier-Stokes equations in arbitrary Lagrangian-Eulerian (ALE) coordinates by prescribing the wall motion extracted during registration. We model the fluid-structure interaction effects of the cardiac valves using an immersed boundary method and discuss the potential application of this methodology in single ventricle physiology and trans-catheter aortic valve replacement (TAVR). This research is supported in part by the Stanford Child Health Research Institute and the Stanford NIH-NCATS-CTSA through Grant UL1 TR001085 and partly through NIH NHLBI R01 Grant 5R01HL129727-02.

  1. Update of patient-specific maxillofacial implant.

    Science.gov (United States)

    Owusu, James A; Boahene, Kofi

    2015-08-01

    Patient-specific implant (PSI) is a personalized approach to reconstructive and esthetic surgery. This is particularly useful in maxillofacial surgery in which restoring the complex three-dimensional (3D) contour can be quite challenging. In certain situations, the best results can only be achieved with implants custom-made to fit a particular need. Significant progress has been made over the past decade in the design and manufacture of maxillofacial PSIs. Computer-aided design (CAD)/computer-aided manufacturing (CAM) technology is rapidly advancing and has provided new options for fabrication of PSIs with better precision. Maxillofacial PSIs can now be designed using preoperative imaging data as input into CAD software. The designed implant is then fabricated using a CAM technique such as 3D printing. This approach increases precision and decreases or completely eliminates the need for intraoperative modification of implants. The use of CAD/CAM-produced PSIs for maxillofacial reconstruction and augmentation can significantly improve contour outcomes and decrease operating time. CAD/CAM technology allows timely and precise fabrication of maxillofacial PSIs. This approach is gaining increasing popularity in maxillofacial reconstructive surgery. Continued advances in CAD technology and 3D printing are bound to improve the cost-effectiveness and decrease the production time of maxillofacial PSIs.

  2. A new diffusion nodal method based on analytic basis function expansion

    International Nuclear Information System (INIS)

    Noh, J.M.; Cho, N.Z.

    1993-01-01

    The transverse integration procedure commonly used in most advanced nodal methods results in some limitations. The first is that the transverse leakage term that appears in the transverse integration procedure must be appropriately approximated. In most advanced nodal methods, this term is expanded in a quadratic polynomial. The second arises when reconstructing the pinwise flux distribution within a node. The available one-dimensional flux shapes from nodal calculation in each spatial direction cannot be used directly in the flux reconstruction. Finally, the transverse leakage defined for a hexagonal node becomes so complicated as not to be easily handled and contains nonphysical singular terms. In this paper, a new nodal method called the analytic function expansion nodal (AFEN) method is described for both the rectangular geometry and the hexagonal geometry in order to overcome these limitations. This method does not solve the transverse-integrated one-dimensional diffusion equations but instead solves directly the original multidimensional diffusion equation within a node. This is a accomplished by expanding the solution (or the intranodal homogeneous flux distribution) in terms of nonseparable analytic basis functions satisfying the diffusion equation at any point in the node

  3. Automatic Curve Fitting Based on Radial Basis Functions and a Hierarchical Genetic Algorithm

    Directory of Open Access Journals (Sweden)

    G. Trejo-Caballero

    2015-01-01

    Full Text Available Curve fitting is a very challenging problem that arises in a wide variety of scientific and engineering applications. Given a set of data points, possibly noisy, the goal is to build a compact representation of the curve that corresponds to the best estimate of the unknown underlying relationship between two variables. Despite the large number of methods available to tackle this problem, it remains challenging and elusive. In this paper, a new method to tackle such problem using strictly a linear combination of radial basis functions (RBFs is proposed. To be more specific, we divide the parameter search space into linear and nonlinear parameter subspaces. We use a hierarchical genetic algorithm (HGA to minimize a model selection criterion, which allows us to automatically and simultaneously determine the nonlinear parameters and then, by the least-squares method through Singular Value Decomposition method, to compute the linear parameters. The method is fully automatic and does not require subjective parameters, for example, smooth factor or centre locations, to perform the solution. In order to validate the efficacy of our approach, we perform an experimental study with several tests on benchmarks smooth functions. A comparative analysis with two successful methods based on RBF networks has been included.

  4. Application of radial basis function neural network to predict soil sorption partition coefficient using topological descriptors.

    Science.gov (United States)

    Sabour, Mohammad Reza; Moftakhari Anasori Movahed, Saman

    2017-02-01

    The soil sorption partition coefficient logK oc is an indispensable parameter that can be used in assessing the environmental risk of organic chemicals. In order to predict soil sorption partition coefficient for different and even unknown compounds in a fast and accurate manner, a radial basis function neural network (RBFNN) model was developed. Eight topological descriptors of 800 organic compounds were used as inputs of the model. These 800 organic compounds were chosen from a large and very diverse data set. Generalized Regression Neural Network (GRNN) was utilized as the function in this neural network model due to its capability to adapt very quickly. Hence, it can be used to predict logK oc for new chemicals, as well. Out of total data set, 560 organic compounds were used for training and 240 to test efficiency of the model. The obtained results indicate that the model performance is very well. The correlation coefficients (R2) for training and test sets were 0.995 and 0.933, respectively. The root-mean square errors (RMSE) were 0.2321 for training set and 0.413 for test set. As the results for both training and test set are extremely satisfactory, the proposed neural network model can be employed not only to predict logK oc of known compounds, but also to be adaptive for prediction of this value precisely for new products that enter the market each year. Copyright © 2016 Elsevier Ltd. All rights reserved.

  5. Response functions of a superlattice with a basis: A model for oxide superconductors

    International Nuclear Information System (INIS)

    Griffin, A.

    1988-01-01

    The new high-T/sub c/ oxide superconductors appear to be superlattice structures with a basis composed of metallic sheets as well as metallic chains. Using a simple free-electron-gas model for the sheets and chains, we obtain the dielectric function ε(q,ω) of such a multilayer system within the random-phase approximation (RPA). We give results valid for arbitrary wave vector q appropriate to sheets and chains (as in the orthorhombic phase of Y-Ba-Cu-O) as well as for two different kinds of sheets (such as may be present in the Bi-Ca-Sr-Cu-O superconductors). The occurrence of acoustic plasmons is a general phenomenon in such superlattices, as shown by an alternative formulation based on the exact response functions for the individual sheets and chains, in which only the interchain (sheet) Coulomb interaction is treated in the RPA. These results generalize the long-wavelength expressions recently given in the literature. We also briefly discuss the analogous results for two arrays of mutually perpendicular chains, such as found in Hg chain compounds

  6. Solution to PDEs using radial basis function finite-differences (RBF-FD) on multiple GPUs

    International Nuclear Information System (INIS)

    Bollig, Evan F.; Flyer, Natasha; Erlebacher, Gordon

    2012-01-01

    This paper presents parallelization strategies for the radial basis function-finite difference (RBF-FD) method. As a generalized finite differencing scheme, the RBF-FD method functions without the need for underlying meshes to structure nodes. It offers high-order accuracy approximation and scales as O(N) per time step, with N being with the total number of nodes. To our knowledge, this is the first implementation of the RBF-FD method to leverage GPU accelerators for the solution of PDEs. Additionally, this implementation is the first to span both multiple CPUs and multiple GPUs. OpenCL kernels target the GPUs and inter-processor communication and synchronization is managed by the Message Passing Interface (MPI). We verify our implementation of the RBF-FD method with two hyperbolic PDEs on the sphere, and demonstrate up to 9x speedup on a commodity GPU with unoptimized kernel implementations. On a high performance cluster, the method achieves up to 7x speedup for the maximum problem size of 27,556 nodes.

  7. Accuracy of Lagrange-sinc functions as a basis set for electronic structure calculations of atoms and molecules

    International Nuclear Information System (INIS)

    Choi, Sunghwan; Hong, Kwangwoo; Kim, Jaewook; Kim, Woo Youn

    2015-01-01

    We developed a self-consistent field program based on Kohn-Sham density functional theory using Lagrange-sinc functions as a basis set and examined its numerical accuracy for atoms and molecules through comparison with the results of Gaussian basis sets. The result of the Kohn-Sham inversion formula from the Lagrange-sinc basis set manifests that the pseudopotential method is essential for cost-effective calculations. The Lagrange-sinc basis set shows faster convergence of the kinetic and correlation energies of benzene as its size increases than the finite difference method does, though both share the same uniform grid. Using a scaling factor smaller than or equal to 0.226 bohr and pseudopotentials with nonlinear core correction, its accuracy for the atomization energies of the G2-1 set is comparable to all-electron complete basis set limits (mean absolute deviation ≤1 kcal/mol). The same basis set also shows small mean absolute deviations in the ionization energies, electron affinities, and static polarizabilities of atoms in the G2-1 set. In particular, the Lagrange-sinc basis set shows high accuracy with rapid convergence in describing density or orbital changes by an external electric field. Moreover, the Lagrange-sinc basis set can readily improve its accuracy toward a complete basis set limit by simply decreasing the scaling factor regardless of systems

  8. The matrix elements of the potential energy operator between the Sp(2,R) basis generating functions. Near-magic nuclei

    International Nuclear Information System (INIS)

    Filippov, G.F.; Ovcharenko, V.I.; Teryoshin, Yu.V.

    1980-01-01

    For near-magnetic nuclei, the matrix elements of the central exchange nucleon-nucleon interaction potential energy operator between the generating functions of the total basis of the Sn are obtained. The basis states are highest weigt vectorsp(2,R) irreducible representatio of the SO(3) irredicible representation and in addition, have a definite O(A-1) symmetry. The Sp(2,R) basis generating matrix elements simplify essentially the problem of calculating the spectrum of collective excitations of the atomic nucleus over an intrinsic function of definite O(A-1) symmetry

  9. Patient-specific workup of adrenal incidentalomas

    Directory of Open Access Journals (Sweden)

    Romy R. de Haan

    Full Text Available Purpose: : To develop a clinical prediction model to predict a clinically relevant adrenal disorder for patients with adrenal incidentaloma. Materials and methods: : This retrospective study is approved by the institutional review board, with waiver of informed consent. Natural language processing is used for filtering of adrenal incidentaloma cases in all thoracic and abdominal CT reports from 2010 till 2012. A total of 635 patients are identified. Stepwise logistic regression is used to construct the prediction model. The model predicts if a patient is at risk for malignancy or hormonal hyperfunction of the adrenal gland at the moment of initial presentation, thus generates a predicted probability for every individual patient. The prediction model is evaluated on its usefulness in clinical practice using decision curve analysis (DCA based on different threshold probabilities. For patients whose predicted probability is lower than the predetermined threshold probability, further workup could be omitted. Results: : A prediction model is successfully developed, with an area under the curve (AUC of 0.78. Results of the DCA indicate that up to 11% of patients with an adrenal incidentaloma can be avoided from unnecessary workup, with a sensitivity of 100% and specificity of 11%. Conclusion: : A prediction model can accurately predict if an adrenal incidentaloma patient is at risk for malignancy or hormonal hyperfunction of the adrenal gland based on initial imaging features and patient demographics. However, with most adrenal incidentalomas labeled as nonfunctional adrenocortical adenomas requiring no further treatment, it is likely that more patients could be omitting from unnecessary diagnostics. Keywords: Adrenal incidentaloma, Patient-specific workup, Prediction model

  10. Radial basis function networks applied to DNBR calculation in digital core protection systems

    International Nuclear Information System (INIS)

    Lee, Gyu-Cheon; Heung Chang, Soon

    2003-01-01

    The nuclear power plant has to be operated with sufficient margin from the specified DNBR limit for assuring its safety. The digital core protection system calculates on-line real-time DNBR by using a complex subchannel analysis program, and triggers a reliable reactor shutdown if the calculated DNBR approaches the specified limit. However, it takes a relatively long calculation time even for a steady state condition, which may have an adverse effect on the operation flexibility. To overcome the drawback, a new method using a radial basis function network is presented in this paper. Nonparametric training approach is utilized, which shows dramatic reduction of the training time, no tedious heuristic process for optimizing parameters, and no local minima problem during the training. The test results show that the predicted DNBR is within about ±2% deviation from the target DNBR for the fixed axial flux shape case. For the variable axial flux case including severely skewed shapes that appeared during accidents, the deviation is within about ±10%. The suggested method could be the alternative that can calculate DNBR very quickly while guaranteeing the plant safety

  11. Natural emulsifiers - Biosurfactants, phospholipids, biopolymers, and colloidal particles: Molecular and physicochemical basis of functional performance.

    Science.gov (United States)

    McClements, David Julian; Gumus, Cansu Ekin

    2016-08-01

    There is increasing consumer pressure for commercial products that are more natural, sustainable, and environmentally friendly, including foods, cosmetics, detergents, and personal care products. Industry has responded by trying to identify natural alternatives to synthetic functional ingredients within these products. The focus of this review article is on the replacement of synthetic surfactants with natural emulsifiers, such as amphiphilic proteins, polysaccharides, biosurfactants, phospholipids, and bioparticles. In particular, the physicochemical basis of emulsion formation and stabilization by natural emulsifiers is discussed, and the benefits and limitations of different natural emulsifiers are compared. Surface-active polysaccharides typically have to be used at relatively high levels to produce small droplets, but the droplets formed are highly resistant to environmental changes. Conversely, surface-active proteins are typically utilized at low levels, but the droplets formed are highly sensitive to changes in pH, ionic strength, and temperature. Certain phospholipids are capable of producing small oil droplets during homogenization, but again the droplets formed are highly sensitive to changes in environmental conditions. Biosurfactants (saponins) can be utilized at low levels to form fine oil droplets that remain stable over a range of environmental conditions. Some nature-derived nanoparticles (e.g., cellulose, chitosan, and starch) are effective at stabilizing emulsions containing relatively large oil droplets. Future research is encouraged to identify, isolate, purify, and characterize new types of natural emulsifier, and to test their efficacy in food, cosmetic, detergent, personal care, and other products. Copyright © 2016 Elsevier B.V. All rights reserved.

  12. A meshless local radial basis function method for two-dimensional incompressible Navier-Stokes equations

    KAUST Repository

    Wang, Zhiheng

    2014-12-10

    A meshless local radial basis function method is developed for two-dimensional incompressible Navier-Stokes equations. The distributed nodes used to store the variables are obtained by the philosophy of an unstructured mesh, which results in two main advantages of the method. One is that the unstructured nodes generation in the computational domain is quite simple, without much concern about the mesh quality; the other is that the localization of the obtained collocations for the discretization of equations is performed conveniently with the supporting nodes. The algebraic system is solved by a semi-implicit pseudo-time method, in which the convective and source terms are explicitly marched by the Runge-Kutta method, and the diffusive terms are implicitly solved. The proposed method is validated by several benchmark problems, including natural convection in a square cavity, the lid-driven cavity flow, and the natural convection in a square cavity containing a circular cylinder, and very good agreement with the existing results are obtained.

  13. Gaussian Radial Basis Function for Efficient Computation of Forest Indirect Illumination

    Science.gov (United States)

    Abbas, Fayçal; Babahenini, Mohamed Chaouki

    2018-06-01

    Global illumination of natural scenes in real time like forests is one of the most complex problems to solve, because the multiple inter-reflections between the light and material of the objects composing the scene. The major problem that arises is the problem of visibility computation. In fact, the computing of visibility is carried out for all the set of leaves visible from the center of a given leaf, given the enormous number of leaves present in a tree, this computation performed for each leaf of the tree which also reduces performance. We describe a new approach that approximates visibility queries, which precede in two steps. The first step is to generate point cloud representing the foliage. We assume that the point cloud is composed of two classes (visible, not-visible) non-linearly separable. The second step is to perform a point cloud classification by applying the Gaussian radial basis function, which measures the similarity in term of distance between each leaf and a landmark leaf. It allows approximating the visibility requests to extract the leaves that will be used to calculate the amount of indirect illumination exchanged between neighbor leaves. Our approach allows efficiently treat the light exchanges in the scene of a forest, it allows a fast computation and produces images of good visual quality, all this takes advantage of the immense power of computation of the GPU.

  14. Motion planning for autonomous vehicle based on radial basis function neural network in unstructured environment.

    Science.gov (United States)

    Chen, Jiajia; Zhao, Pan; Liang, Huawei; Mei, Tao

    2014-09-18

    The autonomous vehicle is an automated system equipped with features like environment perception, decision-making, motion planning, and control and execution technology. Navigating in an unstructured and complex environment is a huge challenge for autonomous vehicles, due to the irregular shape of road, the requirement of real-time planning, and the nonholonomic constraints of vehicle. This paper presents a motion planning method, based on the Radial Basis Function (RBF) neural network, to guide the autonomous vehicle in unstructured environments. The proposed algorithm extracts the drivable region from the perception grid map based on the global path, which is available in the road network. The sample points are randomly selected in the drivable region, and a gradient descent method is used to train the RBF network. The parameters of the motion-planning algorithm are verified through the simulation and experiment. It is observed that the proposed approach produces a flexible, smooth, and safe path that can fit any road shape. The method is implemented on autonomous vehicle and verified against many outdoor scenes; furthermore, a comparison of proposed method with the existing well-known Rapidly-exploring Random Tree (RRT) method is presented. The experimental results show that the proposed method is highly effective in planning the vehicle path and offers better motion quality.

  15. DATA CLASSIFICATION WITH NEURAL CLASSIFIER USING RADIAL BASIS FUNCTION WITH DATA REDUCTION USING HIERARCHICAL CLUSTERING

    Directory of Open Access Journals (Sweden)

    M. Safish Mary

    2012-04-01

    Full Text Available Classification of large amount of data is a time consuming process but crucial for analysis and decision making. Radial Basis Function networks are widely used for classification and regression analysis. In this paper, we have studied the performance of RBF neural networks to classify the sales of cars based on the demand, using kernel density estimation algorithm which produces classification accuracy comparable to data classification accuracy provided by support vector machines. In this paper, we have proposed a new instance based data selection method where redundant instances are removed with help of a threshold thus improving the time complexity with improved classification accuracy. The instance based selection of the data set will help reduce the number of clusters formed thereby reduces the number of centers considered for building the RBF network. Further the efficiency of the training is improved by applying a hierarchical clustering technique to reduce the number of clusters formed at every step. The paper explains the algorithm used for classification and for conditioning the data. It also explains the complexities involved in classification of sales data for analysis and decision-making.

  16. S-pairing in neutron matter: I. Correlated basis function theory

    International Nuclear Information System (INIS)

    Fabrocini, Adelchi; Fantoni, Stefano; Illarionov, Alexey Yu.; Schmidt, Kevin E.

    2008-01-01

    S-wave pairing in neutron matter is studied within an extension of correlated basis function (CBF) theory to include the strong, short range spatial correlations due to realistic nuclear forces and the pairing correlations of the Bardeen, Cooper and Schrieffer (BCS) approach. The correlation operator contains central as well as tensor components. The correlated BCS scheme of [S. Fantoni, Nucl. Phys. A 363 (1981) 381], developed for simple scalar correlations, is generalized to this more realistic case. The energy of the correlated pair condensed phase of neutron matter is evaluated at the two-body order of the cluster expansion, but considering the one-body density and the corresponding energy vertex corrections at the first order of the Power Series expansion. Based on these approximations, we have derived a system of Euler equations for the correlation factors and for the BCS amplitudes, resulting in correlated nonlinear gap equations, formally close to the standard BCS ones. These equations have been solved for the momentum independent part of several realistic potentials (Reid, Argonne v 14 and Argonne v 8 ' ) to stress the role of the tensor correlations and of the many-body effects. Simple Jastrow correlations and/or the lack of the density corrections enhance the gap with respect to uncorrelated BCS, whereas it is reduced according to the strength of the tensor interaction and following the inclusion of many-body contributions

  17. Radial Basis Functional Model of Multi-Point Dieless Forming Process for Springback Reduction and Compensation

    Directory of Open Access Journals (Sweden)

    Misganaw Abebe

    2017-11-01

    Full Text Available Springback in multi-point dieless forming (MDF is a common problem because of the small deformation and blank holder free boundary condition. Numerical simulations are widely used in sheet metal forming to predict the springback. However, the computational time in using the numerical tools is time costly to find the optimal process parameters value. This study proposes radial basis function (RBF to replace the numerical simulation model by using statistical analyses that are based on a design of experiment (DOE. Punch holding time, blank thickness, and curvature radius are chosen as effective process parameters for determining the springback. The Latin hypercube DOE method facilitates statistical analyses and the extraction of a prediction model in the experimental process parameter domain. Finite element (FE simulation model is conducted in the ABAQUS commercial software to generate the springback responses of the training and testing samples. The genetic algorithm is applied to find the optimal value for reducing and compensating the induced springback for the different blank thicknesses using the developed RBF prediction model. Finally, the RBF numerical result is verified by comparing with the FE simulation result of the optimal process parameters and both results show that the springback is almost negligible from the target shape.

  18. Cost-Sensitive Radial Basis Function Neural Network Classifier for Software Defect Prediction.

    Science.gov (United States)

    Kumudha, P; Venkatesan, R

    Effective prediction of software modules, those that are prone to defects, will enable software developers to achieve efficient allocation of resources and to concentrate on quality assurance activities. The process of software development life cycle basically includes design, analysis, implementation, testing, and release phases. Generally, software testing is a critical task in the software development process wherein it is to save time and budget by detecting defects at the earliest and deliver a product without defects to the customers. This testing phase should be carefully operated in an effective manner to release a defect-free (bug-free) software product to the customers. In order to improve the software testing process, fault prediction methods identify the software parts that are more noted to be defect-prone. This paper proposes a prediction approach based on conventional radial basis function neural network (RBFNN) and the novel adaptive dimensional biogeography based optimization (ADBBO) model. The developed ADBBO based RBFNN model is tested with five publicly available datasets from the NASA data program repository. The computed results prove the effectiveness of the proposed ADBBO-RBFNN classifier approach with respect to the considered metrics in comparison with that of the early predictors available in the literature for the same datasets.

  19. Prediction of water formation temperature in natural gas dehydrators using radial basis function (RBF neural networks

    Directory of Open Access Journals (Sweden)

    Tatar Afshin

    2016-03-01

    Full Text Available Raw natural gases usually contain water. It is very important to remove the water from these gases through dehydration processes due to economic reasons and safety considerations. One of the most important methods for water removal from these gases is using dehydration units which use Triethylene glycol (TEG. The TEG concentration at which all water is removed and dew point characteristics of mixture are two important parameters, which should be taken into account in TEG dehydration system. Hence, developing a reliable and accurate model to predict the performance of such a system seems to be very important in gas engineering operations. This study highlights the use of intelligent modeling techniques such as Multilayer perceptron (MLP and Radial Basis Function Neural Network (RBF-ANN to predict the equilibrium water dew point in a stream of natural gas based on the TEG concentration of stream and contractor temperature. Literature data set used in this study covers temperatures from 10 °C to 80 °C and TEG concentrations from 90.000% to 99.999%. Results showed that both models are accurate in prediction of experimental data and the MLP model gives more accurate predictions compared to RBF model.

  20. Reconstruction of gastric slow wave from finger photoplethysmographic signal using radial basis function neural network.

    Science.gov (United States)

    Mohamed Yacin, S; Srinivasa Chakravarthy, V; Manivannan, M

    2011-11-01

    Extraction of extra-cardiac information from photoplethysmography (PPG) signal is a challenging research problem with significant clinical applications. In this study, radial basis function neural network (RBFNN) is used to reconstruct the gastric myoelectric activity (GMA) slow wave from finger PPG signal. Finger PPG and GMA (measured using Electrogastrogram, EGG) signals were acquired simultaneously at the sampling rate of 100 Hz from ten healthy subjects. Discrete wavelet transform (DWT) was used to extract slow wave (0-0.1953 Hz) component from the finger PPG signal; this slow wave PPG was used to reconstruct EGG. A RBFNN is trained on signals obtained from six subjects in both fasting and postprandial conditions. The trained network is tested on data obtained from the remaining four subjects. In the earlier study, we have shown the presence of GMA information in finger PPG signal using DWT and cross-correlation method. In this study, we explicitly reconstruct gastric slow wave from finger PPG signal by the proposed RBFNN-based method. It was found that the network-reconstructed slow wave provided significantly higher (P wave than the correlation obtained (≈0.7) between the PPG slow wave from DWT and the EEG slow wave. Our results showed that a simple finger PPG signal can be used to reconstruct gastric slow wave using RBFNN method.

  1. A Basis Function Approach to Simulate Storm Surge Events for Coastal Flood Risk Assessment

    Science.gov (United States)

    Wu, Wenyan; Westra, Seth; Leonard, Michael

    2017-04-01

    Storm surge is a significant contributor to flooding in coastal and estuarine regions, especially when it coincides with other flood producing mechanisms, such as extreme rainfall. Therefore, storm surge has always been a research focus in coastal flood risk assessment. Often numerical models have been developed to understand storm surge events for risk assessment (Kumagai et al. 2016; Li et al. 2016; Zhang et al. 2016) (Bastidas et al. 2016; Bilskie et al. 2016; Dalledonne and Mayerle 2016; Haigh et al. 2014; Kodaira et al. 2016; Lapetina and Sheng 2015), and assess how these events may change or evolve in the future (Izuru et al. 2015; Oey and Chou 2016). However, numeric models often require a lot of input information and difficulties arise when there are not sufficient data available (Madsen et al. 2015). Alternative, statistical methods have been used to forecast storm surge based on historical data (Hashemi et al. 2016; Kim et al. 2016) or to examine the long term trend in the change of storm surge events, especially under climate change (Balaguru et al. 2016; Oh et al. 2016; Rueda et al. 2016). In these studies, often the peak of surge events is used, which result in the loss of dynamic information within a tidal cycle or surge event (i.e. a time series of storm surge values). In this study, we propose an alternative basis function (BF) based approach to examine the different attributes (e.g. peak and durations) of storm surge events using historical data. Two simple two-parameter BFs were used: the exponential function and the triangular function. High quality hourly storm surge record from 15 tide gauges around Australia were examined. It was found that there are significantly location and seasonal variability in the peak and duration of storm surge events, which provides additional insights in coastal flood risk. In addition, the simple form of these BFs allows fast simulation of storm surge events and minimises the complexity of joint probability

  2. Use of radial basis functions for meshless numerical solutions applied to financial engineering barrier options

    Directory of Open Access Journals (Sweden)

    Gisele Tessari Santos

    2009-08-01

    Full Text Available A large number of financial engineering problems involve non-linear equations with non-linear or time-dependent boundary conditions. Despite available analytical solutions, many classical and modified forms of the well-known Black-Scholes (BS equation require fast and accurate numerical solutions. This work introduces the radial basis function (RBF method as applied to the solution of the BS equation with non-linear boundary conditions, related to path-dependent barrier options. Furthermore, the diffusional method for solving advective-diffusive equations is explored as to its effectiveness to solve BS equations. Cubic and Thin-Plate Spline (TPS radial basis functions were employed and evaluated as to their effectiveness to solve barrier option problems. The numerical results, when compared against analytical solutions, allow affirming that the RBF method is very accurate and easy to be implemented. When the RBF method is applied, the diffusional method leads to the same results as those obtained from the classical formulation of Black-Scholes equation.Muitos problemas de engenharia financeira envolvem equações não-lineares com condições de contorno não-lineares ou dependentes do tempo. Apesar de soluções analíticas disponíveis, várias formas clássicas e modificadas da conhecida equação de Black-Scholes (BS requerem soluções numéricas rápidas e acuradas. Este trabalho introduz o método de função de base radial (RBF aplicado à solução da equação BS com condições de contorno não-lineares relacionadas a opções de barreira dependentes da trajetória. Além disso, explora-se o método difusional para solucionar equações advectivo-difusivas quanto à sua efetividade para solucionar equações BS. Utilizam-se funções de base radial Cúbica e Thin-Plate Spline (TPS, aplicadas à solução de problemas de opções de barreiras. Os resultados numéricos, quando comparados com as soluções analíticas, permitem afirmar

  3. Radial basis function interpolation of unstructured, three-dimensional, volumetric particle tracking velocimetry data

    International Nuclear Information System (INIS)

    Casa, L D C; Krueger, P S

    2013-01-01

    Unstructured three-dimensional fluid velocity data were interpolated using Gaussian radial basis function (RBF) interpolation. Data were generated to imitate the spatial resolution and experimental uncertainty of a typical implementation of defocusing digital particle image velocimetry. The velocity field associated with a steadily rotating infinite plate was simulated to provide a bounded, fully three-dimensional analytical solution of the Navier–Stokes equations, allowing for robust analysis of the interpolation accuracy. The spatial resolution of the data (i.e. particle density) and the number of RBFs were varied in order to assess the requirements for accurate interpolation. Interpolation constraints, including boundary conditions and continuity, were included in the error metric used for the least-squares minimization that determines the interpolation parameters to explore methods for improving RBF interpolation results. Even spacing and logarithmic spacing of RBF locations were also investigated. Interpolation accuracy was assessed using the velocity field, divergence of the velocity field, and viscous torque on the rotating boundary. The results suggest that for the present implementation, RBF spacing of 0.28 times the boundary layer thickness is sufficient for accurate interpolation, though theoretical error analysis suggests that improved RBF positioning may yield more accurate results. All RBF interpolation results were compared to standard Gaussian weighting and Taylor expansion interpolation methods. Results showed that RBF interpolation improves interpolation results compared to the Taylor expansion method by 60% to 90% based on the average squared velocity error and provides comparable velocity results to Gaussian weighted interpolation in terms of velocity error. RMS accuracy of the flow field divergence was one to two orders of magnitude better for the RBF interpolation compared to the other two methods. RBF interpolation that was applied to

  4. Statistical Downscaling of Gusts During Extreme European Winter Storms Using Radial-Basis-Function Networks

    Science.gov (United States)

    Voigt, M.; Lorenz, P.; Kruschke, T.; Osinski, R.; Ulbrich, U.; Leckebusch, G. C.

    2012-04-01

    Winterstorms and related gusts can cause extensive socio-economic damages. Knowledge about the occurrence and the small scale structure of such events may help to make regional estimations of storm losses. For a high spatial and temporal representation, the use of dynamical downscaling methods (RCM) is a cost-intensive and time-consuming option and therefore only applicable for a limited number of events. The current study explores a methodology to provide a statistical downscaling, which offers small scale structured gust fields from an extended large scale structured eventset. Radial-basis-function (RBF) networks in combination with bidirectional Kohonen (BDK) maps are used to generate the gustfields on a spatial resolution of 7 km from the 6-hourly mean sea level pressure field from ECMWF reanalysis data. BDK maps are a kind of neural network which handles supervised classification problems. In this study they are used to provide prototypes for the RBF network and give a first order approximation for the output data. A further interpolation is done by the RBF network. For the training process the 50 most extreme storm events over the North Atlantic area from 1957 to 2011 are used, which have been selected from ECMWF reanalysis datasets ERA40 and ERA-Interim by an objective wind based tracking algorithm. These events were downscaled dynamically by application of the DWD model chain GME → COSMO-EU. Different model parameters and their influence on the quality of the generated high-resolution gustfields are studied. It is shown that the statistical RBF network approach delivers reasonable results in modeling the regional gust fields for untrained events.

  5. Linear response calculation using the canonical-basis TDHFB with a schematic pairing functional

    International Nuclear Information System (INIS)

    Ebata, Shuichiro; Nakatsukasa, Takashi; Yabana, Kazuhiro

    2011-01-01

    A canonical-basis formulation of the time-dependent Hartree-Fock-Bogoliubov (TDHFB) theory is obtained with an approximation that the pair potential is assumed to be diagonal in the time-dependent canonical basis. The canonical-basis formulation significantly reduces the computational cost. We apply the method to linear-response calculations for even-even nuclei. E1 strength distributions for proton-rich Mg isotopes are systematically calculated. The calculation suggests strong Landau damping of giant dipole resonance for drip-line nuclei.

  6. Density functional theory calculations of the lowest energy quintet and triplet states of model hemes: role of functional, basis set, and zero-point energy corrections.

    Science.gov (United States)

    Khvostichenko, Daria; Choi, Andrew; Boulatov, Roman

    2008-04-24

    We investigated the effect of several computational variables, including the choice of the basis set, application of symmetry constraints, and zero-point energy (ZPE) corrections, on the structural parameters and predicted ground electronic state of model 5-coordinate hemes (iron(II) porphines axially coordinated by a single imidazole or 2-methylimidazole). We studied the performance of B3LYP and B3PW91 with eight Pople-style basis sets (up to 6-311+G*) and B97-1, OLYP, and TPSS functionals with 6-31G and 6-31G* basis sets. Only hybrid functionals B3LYP, B3PW91, and B97-1 reproduced the quintet ground state of the model hemes. With a given functional, the choice of the basis set caused up to 2.7 kcal/mol variation of the quintet-triplet electronic energy gap (DeltaEel), in several cases, resulting in the inversion of the sign of DeltaEel. Single-point energy calculations with triple-zeta basis sets of the Pople (up to 6-311G++(2d,2p)), Ahlrichs (TZVP and TZVPP), and Dunning (cc-pVTZ) families showed the same trend. The zero-point energy of the quintet state was approximately 1 kcal/mol lower than that of the triplet, and accounting for ZPE corrections was crucial for establishing the ground state if the electronic energy of the triplet state was approximately 1 kcal/mol less than that of the quintet. Within a given model chemistry, effects of symmetry constraints and of a "tense" structure of the iron porphine fragment coordinated to 2-methylimidazole on DeltaEel were limited to 0.3 kcal/mol. For both model hemes the best agreement with crystallographic structural data was achieved with small 6-31G and 6-31G* basis sets. Deviation of the computed frequency of the Fe-Im stretching mode from the experimental value with the basis set decreased in the order: nonaugmented basis sets, basis sets with polarization functions, and basis sets with polarization and diffuse functions. Contraction of Pople-style basis sets (double-zeta or triple-zeta) affected the results

  7. General Fit-Basis Functions and Specialized Coordinates in an Adaptive Density-Guided Approach to Potential Energy Surfaces

    DEFF Research Database (Denmark)

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

    . This results in a decreased number of single point calculations required during the potential construction. Especially the Morse-like fit-basis functions are of interest, when combined with rectilinear hybrid optimized and localized coordinates (HOLCs), which can be generated as orthogonal transformations......The overall shape of a molecular energy surface can be very different for different molecules and different vibrational coordinates. This means that the fit-basis functions used to generate an analytic representation of a potential will be met with different requirements. It is therefore worthwhile...... single point calculations when constructing the molecular potential. We therefore present a uniform framework that can handle general fit-basis functions of any type which are specified on input. This framework is implemented to suit the black-box nature of the ADGA in order to avoid arbitrary choices...

  8. Improving Stability and Convergence for Adaptive Radial Basis Function Neural Networks Algorithm. (On-Line Harmonics Estimation Application

    Directory of Open Access Journals (Sweden)

    Eyad K Almaita

    2017-03-01

    Keywords: Energy efficiency, Power quality, Radial basis function, neural networks, adaptive, harmonic. Article History: Received Dec 15, 2016; Received in revised form Feb 2nd 2017; Accepted 13rd 2017; Available online How to Cite This Article: Almaita, E.K and Shawawreh J.Al (2017 Improving Stability and Convergence for Adaptive Radial Basis Function Neural Networks Algorithm (On-Line Harmonics Estimation Application.  International Journal of Renewable Energy Develeopment, 6(1, 9-17. http://dx.doi.org/10.14710/ijred.6.1.9-17

  9. Mutual Connectivity Analysis (MCA) Using Generalized Radial Basis Function Neural Networks for Nonlinear Functional Connectivity Network Recovery in Resting-State Functional MRI.

    Science.gov (United States)

    DSouza, Adora M; Abidin, Anas Zainul; Nagarajan, Mahesh B; Wismüller, Axel

    2016-03-29

    We investigate the applicability of a computational framework, called mutual connectivity analysis (MCA), for directed functional connectivity analysis in both synthetic and resting-state functional MRI data. This framework comprises of first evaluating non-linear cross-predictability between every pair of time series prior to recovering the underlying network structure using community detection algorithms. We obtain the non-linear cross-prediction score between time series using Generalized Radial Basis Functions (GRBF) neural networks. These cross-prediction scores characterize the underlying functionally connected networks within the resting brain, which can be extracted using non-metric clustering approaches, such as the Louvain method. We first test our approach on synthetic models with known directional influence and network structure. Our method is able to capture the directional relationships between time series (with an area under the ROC curve = 0.92 ± 0.037) as well as the underlying network structure (Rand index = 0.87 ± 0.063) with high accuracy. Furthermore, we test this method for network recovery on resting-state fMRI data, where results are compared to the motor cortex network recovered from a motor stimulation sequence, resulting in a strong agreement between the two (Dice coefficient = 0.45). We conclude that our MCA approach is effective in analyzing non-linear directed functional connectivity and in revealing underlying functional network structure in complex systems.

  10. New real space correlated-basis-functions approach for the electron correlations of the semiconductor inversion layer

    International Nuclear Information System (INIS)

    Feng Weiguo; Wang Hongwei; Wu Xiang

    1989-12-01

    Based on the real space Correlated-Basis-Functions theory and the collective oscillation behaviour of the electron gas with effective Coulomb interaction, the many body wave function is obtained for the quasi-two-dimensional electron system in the semiconductor inversion layer. The pair-correlation function and the correlation energy of the system have been calculated by the integro-differential method in this paper. The comparison with the other previous theoretical results is also made. The new theoretical approach and its numerical results show that the pair-correlation functions are definitely positive and satisfy the normalization condition. (author). 10 refs, 2 figs

  11. Global and Regional Gravity Field Determination from GOCE Kinematic Orbit by Means of Spherical Radial Basis Functions

    Czech Academy of Sciences Publication Activity Database

    Bucha, B.; Bezděk, Aleš; Sebera, Josef; Janak, J.

    2015-01-01

    Roč. 36, č. 6 (2015), s. 773-801 ISSN 0169-3298 R&D Projects: GA ČR GA13-36843S Grant - others:SAV(SK) VEGA 1/0954/15 Institutional support: RVO:67985815 Keywords : spherical radial basis functions * spherical harmonics * geopotential Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics Impact factor: 3.622, year: 2015

  12. The orthogonal gradients method: A radial basis functions method for solving partial differential equations on arbitrary surfaces

    KAUST Repository

    Piret, Cé cile

    2012-01-01

    Much work has been done on reconstructing arbitrary surfaces using the radial basis function (RBF) method, but one can hardly find any work done on the use of RBFs to solve partial differential equations (PDEs) on arbitrary surfaces. In this paper

  13. An Intelligent Approach to Educational Data: Performance Comparison of the Multilayer Perceptron and the Radial Basis Function Artificial Neural Networks

    Science.gov (United States)

    Kayri, Murat

    2015-01-01

    The objective of this study is twofold: (1) to investigate the factors that affect the success of university students by employing two artificial neural network methods (i.e., multilayer perceptron [MLP] and radial basis function [RBF]); and (2) to compare the effects of these methods on educational data in terms of predictive ability. The…

  14. Disturbance observer that uses radial basis function networks for the low speed control of a servo motor

    DEFF Research Database (Denmark)

    Lee, Kyo-Beum; Bae, C.H.; Blaabjerg, Frede

    2005-01-01

    A scheme to estimate the moment of inertia in a servo motor drive system at very low speed is proposed. The typical speed estimation scheme used in most servo systems operated at low speed is highly sensitive to variations in the moment of inertia. An observer that uses a radial basis function...

  15. Funktioneel programmeren als basis voor het programmeeronderwijs [Functional Programming as Base for Computer Programming Courses

    NARCIS (Netherlands)

    Joosten, S.M.M.; van den Berg, Klaas; Mulder, F.

    1990-01-01

    Aan de Universiteit Twente is de afgelopen vier jaar geëxperimenteerd met een inleidende kursus in het programmeren, op basis van funktioneel programmeren. Dit artikel gaat in op het waarom van deze aanpak, de doelstelling van het programmeeronderwijs, de opzet en inhoud van de kursusonderdelen en

  16. From Patient-Specific Mathematical Neuro-Oncology to Precision Medicine

    Directory of Open Access Journals (Sweden)

    Anne eBaldock

    2013-04-01

    Full Text Available Gliomas are notoriously aggressive, malignant brain tumors that have variable response to treatment. These patients often have poor prognosis, informed primarily by histopathology. Mathematical neuro-oncology (MNO is a young and burgeoning field that leverages mathematical models to predict and quantify response to therapies. These mathematical models can form the basis of modern precision medicine approaches to tailor therapy in a patient-specific manner. Patient specific models (PSMs can be used to overcome imaging limitations, improve prognostic predictions, stratify patients and assess treatment response in silico. The information gleaned from such models can aid in the construction and efficacy of clinical trials and treatment protocols, accelerating the pace of clinical research in the war on cancer. This review focuses on the growing translation of PSM to clinical neuro-oncology. It will also provide a forward-looking view on a new era of patient-specific mathematical neuro-oncology.

  17. An editor for the maintenance and use of a bank of contracted Gaussian basis set functions

    International Nuclear Information System (INIS)

    Taurian, O.E.

    1984-01-01

    A bank of basis sets to be used in ab-initio calculations has been created. The bases are sets of contracted Gaussian type orbitals to be used as input to any molecular integral package. In this communication we shall describe the organization of the bank and a portable editor program which was designed for its maintenance and use. This program is operated by commands and it may be used to obtain any kind of information about the bases in the bank as well as to produce output to be directly used as input for different integral programs. The editor may also be used to format basis sets in the conventional way utilized in publications, as well as to generate a complete, or partial, manual of the contents of the bank if so desired. (orig.)

  18. Cellular and molecular basis of chronic constipation: Taking the functional/idiopathic label out

    OpenAIRE

    Bassotti, Gabrio; Villanacci, Vincenzo; Creƫoiu, Dragos; Creƫoiu, Sanda Maria; Becheanu, Gabriel

    2013-01-01

    In recent years, the improvement of technology and the increase in knowledge have shifted several strongly held paradigms. This is particularly true in gastroenterology, and specifically in the field of the so-called “functional” or “idiopathic” disease, where conditions thought for decades to be based mainly on alterations of visceral perception or aberrant psychosomatic mechanisms have, in fact, be reconducted to an organic basis (or, at the very least, have shown one or more demonstrable a...

  19. Energy and energy gradient matrix elements with N-particle explicitly correlated complex Gaussian basis functions with L =1

    Science.gov (United States)

    Bubin, Sergiy; Adamowicz, Ludwik

    2008-03-01

    In this work we consider explicitly correlated complex Gaussian basis functions for expanding the wave function of an N-particle system with the L =1 total orbital angular momentum. We derive analytical expressions for various matrix elements with these basis functions including the overlap, kinetic energy, and potential energy (Coulomb interaction) matrix elements, as well as matrix elements of other quantities. The derivatives of the overlap, kinetic, and potential energy integrals with respect to the Gaussian exponential parameters are also derived and used to calculate the energy gradient. All the derivations are performed using the formalism of the matrix differential calculus that facilitates a way of expressing the integrals in an elegant matrix form, which is convenient for the theoretical analysis and the computer implementation. The new method is tested in calculations of two systems: the lowest P state of the beryllium atom and the bound P state of the positronium molecule (with the negative parity). Both calculations yielded new, lowest-to-date, variational upper bounds, while the number of basis functions used was significantly smaller than in previous studies. It was possible to accomplish this due to the use of the analytic energy gradient in the minimization of the variational energy.

  20. Energy and energy gradient matrix elements with N-particle explicitly correlated complex Gaussian basis functions with L=1.

    Science.gov (United States)

    Bubin, Sergiy; Adamowicz, Ludwik

    2008-03-21

    In this work we consider explicitly correlated complex Gaussian basis functions for expanding the wave function of an N-particle system with the L=1 total orbital angular momentum. We derive analytical expressions for various matrix elements with these basis functions including the overlap, kinetic energy, and potential energy (Coulomb interaction) matrix elements, as well as matrix elements of other quantities. The derivatives of the overlap, kinetic, and potential energy integrals with respect to the Gaussian exponential parameters are also derived and used to calculate the energy gradient. All the derivations are performed using the formalism of the matrix differential calculus that facilitates a way of expressing the integrals in an elegant matrix form, which is convenient for the theoretical analysis and the computer implementation. The new method is tested in calculations of two systems: the lowest P state of the beryllium atom and the bound P state of the positronium molecule (with the negative parity). Both calculations yielded new, lowest-to-date, variational upper bounds, while the number of basis functions used was significantly smaller than in previous studies. It was possible to accomplish this due to the use of the analytic energy gradient in the minimization of the variational energy.

  1. Comparison of different eigensolvers for calculating vibrational spectra using low-rank, sum-of-product basis functions

    Science.gov (United States)

    Leclerc, Arnaud; Thomas, Phillip S.; Carrington, Tucker

    2017-08-01

    Vibrational spectra and wavefunctions of polyatomic molecules can be calculated at low memory cost using low-rank sum-of-product (SOP) decompositions to represent basis functions generated using an iterative eigensolver. Using a SOP tensor format does not determine the iterative eigensolver. The choice of the interative eigensolver is limited by the need to restrict the rank of the SOP basis functions at every stage of the calculation. We have adapted, implemented and compared different reduced-rank algorithms based on standard iterative methods (block-Davidson algorithm, Chebyshev iteration) to calculate vibrational energy levels and wavefunctions of the 12-dimensional acetonitrile molecule. The effect of using low-rank SOP basis functions on the different methods is analysed and the numerical results are compared with those obtained with the reduced rank block power method. Relative merits of the different algorithms are presented, showing that the advantage of using a more sophisticated method, although mitigated by the use of reduced-rank SOP functions, is noticeable in terms of CPU time.

  2. Genetic and Environmental Basis in Phenotype Correlation Between Physical Function and Cognition in Aging Chinese Twins

    DEFF Research Database (Denmark)

    Xu, Chunsheng; Zhang, Dongfeng; Tian, Xiaocao

    2017-01-01

    for cognition with handgrip strength, FTSST, near visual acuity, and number of teeth lost. Cognitive function was genetically related to pulmonary function. The FTSST and cognition shared almost the same common environmental factors but only part of the unique environmental factors, both with negative......Although the correlation between cognition and physical function has been well studied in the general population, the genetic and environmental nature of the correlation has been rarely investigated. We conducted a classical twin analysis on cognitive and physical function, including forced...... and cognitive function. Bivariate analysis showed mildly positively genetic correlations between cognition and FEV1, r G = 0.23 [95% CI: 0.03, 0.62], as well as FVC, r G = 0.35 [95% CI: 0.06, 1.00]. We found that FTSST and cognition presented very high common environmental correlation, r C = -1.00 [95% CI: -1...

  3. The genetic basis for altered blood vessel function in disease: large artery stiffening

    Directory of Open Access Journals (Sweden)

    Alex Agrotis

    2005-12-01

    Full Text Available Alex AgrotisThe Cell Biology Laboratory, Baker Heart Research Institute, Melbourne, Victoria, AustraliaAbstract: The progressive stiffening of the large arteries in humans that occurs during aging constitutes a potential risk factor for increased cardiovascular morbidity and mortality, and is accompanied by an elevation in systolic blood pressure and pulse pressure. While the underlying basis for these changes remains to be fully elucidated, factors that are able to influence the structure and composition of the extracellular matrix and the way it interacts with arterial smooth muscle cells could profoundly affect the properties of the large arteries. Thus, while age and sex represent important factors contributing to large artery stiffening, the variation in growth-stimulating factors and those that modulate extracellular production and homeostasis are also being increasingly recognized to play a key role in the process. Therefore, elucidating the contribution that genetic variation makes to large artery stiffening could ultimately provide the basis for clinical strategies designed to regulate the process for therapeutic benefit.Keywords: arterial stiffness, genes, polymorphism, extracellular matrix proteins

  4. The Functional Basis of Wing Patterning in Heliconius Butterflies: The Molecules Behind Mimicry

    Science.gov (United States)

    Kronforst, Marcus R.; Papa, Riccardo

    2015-01-01

    Wing-pattern mimicry in butterflies has provided an important example of adaptation since Charles Darwin and Alfred Russell Wallace proposed evolution by natural selection >150 years ago. The neotropical butterfly genus Heliconius played a central role in the development of mimicry theory and has since been studied extensively in the context of ecology and population biology, behavior, and mimicry genetics. Heliconius species are notable for their diverse color patterns, and previous crossing experiments revealed that much of this variation is controlled by a small number of large-effect, Mendelian switch loci. Recent comparative analyses have shown that the same switch loci control wing-pattern diversity throughout the genus, and a number of these have now been positionally cloned. Using a combination of comparative genetic mapping, association tests, and gene expression analyses, variation in red wing patterning throughout Heliconius has been traced back to the action of the transcription factor optix. Similarly, the signaling ligand WntA has been shown to control variation in melanin patterning across Heliconius and other butterflies. Our understanding of the molecular basis of Heliconius mimicry is now providing important insights into a variety of additional evolutionary phenomena, including the origin of supergenes, the interplay between constraint and evolvability, the genetic basis of convergence, the potential for introgression to facilitate adaptation, the mechanisms of hybrid speciation in animals, and the process of ecological speciation. PMID:25953905

  5. Forging the Basis for Developing Protein-Ligand Interaction Scoring Functions.

    Science.gov (United States)

    Liu, Zhihai; Su, Minyi; Han, Li; Liu, Jie; Yang, Qifan; Li, Yan; Wang, Renxiao

    2017-02-21

    In structure-based drug design, scoring functions are widely used for fast evaluation of protein-ligand interactions. They are often applied in combination with molecular docking and de novo design methods. Since the early 1990s, a whole spectrum of protein-ligand interaction scoring functions have been developed. Regardless of their technical difference, scoring functions all need data sets combining protein-ligand complex structures and binding affinity data for parametrization and validation. However, data sets of this kind used to be rather limited in terms of size and quality. On the other hand, standard metrics for evaluating scoring function used to be ambiguous. Scoring functions are often tested in molecular docking or even virtual screening trials, which do not directly reflect the genuine quality of scoring functions. Collectively, these underlying obstacles have impeded the invention of more advanced scoring functions. In this Account, we describe our long-lasting efforts to overcome these obstacles, which involve two related projects. On the first project, we have created the PDBbind database. It is the first database that systematically annotates the protein-ligand complexes in the Protein Data Bank (PDB) with experimental binding data. This database has been updated annually since its first public release in 2004. The latest release (version 2016) provides binding data for 16 179 biomolecular complexes in PDB. Data sets provided by PDBbind have been applied to many computational and statistical studies on protein-ligand interaction and various subjects. In particular, it has become a major data resource for scoring function development. On the second project, we have established the Comparative Assessment of Scoring Functions (CASF) benchmark for scoring function evaluation. Our key idea is to decouple the "scoring" process from the "sampling" process, so scoring functions can be tested in a relatively pure context to reflect their quality. In our

  6. Development of a Technical Basis and Guidance for Advanced SMR Function Allocation

    Energy Technology Data Exchange (ETDEWEB)

    Jacques Hugo; David Gertman; Jeffrey Joe; Ronal Farris; April Whaley; Heather Medema

    2013-09-01

    This report presents the results from three key activities for FY13 that influence the definition of new concepts of operations for advanced Small Modular Reactors (AdvSMR: a) the development of a framework for the analysis of the functional environmental, and structural attributes, b) the effect that new technologies and operational concepts would have on the way functions are allocated to humans or machines or combinations of the two, and c) the relationship between new concepts of operations, new function allocations, and human performance requirements.

  7. Dynamic Fault Diagnosis for Semi-Batch Reactor under Closed-Loop Control via Independent Radial Basis Function Neural Network

    OpenAIRE

    Abdelkarim M. Ertiame; D. W. Yu; D. L. Yu; J. B. Gomm

    2015-01-01

    In this paper, a robust fault detection and isolation (FDI) scheme is developed to monitor a multivariable nonlinear chemical process called the Chylla-Haase polymerization reactor, when it is under the cascade PI control. The scheme employs a radial basis function neural network (RBFNN) in an independent mode to model the process dynamics, and using the weighted sum-squared prediction error as the residual. The Recursive Orthogonal Least Squares algorithm (ROLS) is emplo...

  8. On the choice of basis functions to eliminate false roots of the quantization condition in quantum defect theory

    International Nuclear Information System (INIS)

    Child, M S; Hiyama, M

    2007-01-01

    It is shown that the inherent arbitrariness in the construction of basis functions in quantum defect theory allows a choice that eliminates the occurrence of false roots of the quantization condition, with energies below the minimum of the channel potential. Comparisons are given with the well-known Ham procedure and with the more recent generalization to arbitrary fields by Jungen and Texier. The significance of the results for ab initio R matrix/MQDT studies is also discussed

  9. Molecular Basis of Cardiac Delayed Rectifier Potassium Channel Function and Pharmacology.

    Science.gov (United States)

    Wu, Wei; Sanguinetti, Michael C

    2016-06-01

    Human cardiomyocytes express 3 distinct types of delayed rectifier potassium channels. Human ether-a-go-go-related gene (hERG) channels conduct the rapidly activating current IKr; KCNQ1/KCNE1 channels conduct the slowly activating current IKs; and Kv1.5 channels conduct an ultrarapid activating current IKur. Here the authors provide a general overview of the mechanistic and structural basis of ion selectivity, gating, and pharmacology of the 3 types of cardiac delayed rectifier potassium ion channels. Most blockers bind to S6 residues that line the central cavity of the channel, whereas activators interact with the channel at 4 symmetric binding sites outside the cavity. Copyright © 2016 Elsevier Inc. All rights reserved.

  10. Method and basis set dependence of anharmonic ground state nuclear wave functions and zero-point energies: Application to SSSH

    Science.gov (United States)

    Kolmann, Stephen J.; Jordan, Meredith J. T.

    2010-02-01

    One of the largest remaining errors in thermochemical calculations is the determination of the zero-point energy (ZPE). The fully coupled, anharmonic ZPE and ground state nuclear wave function of the SSSH radical are calculated using quantum diffusion Monte Carlo on interpolated potential energy surfaces (PESs) constructed using a variety of method and basis set combinations. The ZPE of SSSH, which is approximately 29 kJ mol-1 at the CCSD(T)/6-31G∗ level of theory, has a 4 kJ mol-1 dependence on the treatment of electron correlation. The anharmonic ZPEs are consistently 0.3 kJ mol-1 lower in energy than the harmonic ZPEs calculated at the Hartree-Fock and MP2 levels of theory, and 0.7 kJ mol-1 lower in energy at the CCSD(T)/6-31G∗ level of theory. Ideally, for sub-kJ mol-1 thermochemical accuracy, ZPEs should be calculated using correlated methods with as big a basis set as practicable. The ground state nuclear wave function of SSSH also has significant method and basis set dependence. The analysis of the nuclear wave function indicates that SSSH is localized to a single symmetry equivalent global minimum, despite having sufficient ZPE to be delocalized over both minima. As part of this work, modifications to the interpolated PES construction scheme of Collins and co-workers are presented.

  11. Method and basis set dependence of anharmonic ground state nuclear wave functions and zero-point energies: application to SSSH.

    Science.gov (United States)

    Kolmann, Stephen J; Jordan, Meredith J T

    2010-02-07

    One of the largest remaining errors in thermochemical calculations is the determination of the zero-point energy (ZPE). The fully coupled, anharmonic ZPE and ground state nuclear wave function of the SSSH radical are calculated using quantum diffusion Monte Carlo on interpolated potential energy surfaces (PESs) constructed using a variety of method and basis set combinations. The ZPE of SSSH, which is approximately 29 kJ mol(-1) at the CCSD(T)/6-31G* level of theory, has a 4 kJ mol(-1) dependence on the treatment of electron correlation. The anharmonic ZPEs are consistently 0.3 kJ mol(-1) lower in energy than the harmonic ZPEs calculated at the Hartree-Fock and MP2 levels of theory, and 0.7 kJ mol(-1) lower in energy at the CCSD(T)/6-31G* level of theory. Ideally, for sub-kJ mol(-1) thermochemical accuracy, ZPEs should be calculated using correlated methods with as big a basis set as practicable. The ground state nuclear wave function of SSSH also has significant method and basis set dependence. The analysis of the nuclear wave function indicates that SSSH is localized to a single symmetry equivalent global minimum, despite having sufficient ZPE to be delocalized over both minima. As part of this work, modifications to the interpolated PES construction scheme of Collins and co-workers are presented.

  12. Pupil filter design by using a Bessel functions basis at the image plane.

    Science.gov (United States)

    Canales, Vidal F; Cagigal, Manuel P

    2006-10-30

    Many applications can benefit from the use of pupil filters for controlling the light intensity distribution near the focus of an optical system. Most of the design methods for such filters are based on a second-order expansion of the Point Spread Function (PSF). Here, we present a new procedure for designing radially-symmetric pupil filters. It is more precise than previous procedures as it considers the exact expression of the PSF, expanded as a function of first-order Bessel functions. Furthermore, this new method presents other advantages: the height of the side lobes can be easily controlled, it allows the design of amplitude-only, phase-only or hybrid filters, and the coefficients of the PSF expansion can be directly related to filter parameters. Finally, our procedure allows the design of filters with very different behaviours and optimal performance.

  13. Concepts of soil mapping as a basis for the assessment of soil functions

    Science.gov (United States)

    Baumgarten, Andreas

    2014-05-01

    Soil mapping systems in Europe have been designed mainly as a tool for the description of soil characteristics from a morphogenetic viewpoint. Contrasting to the American or FAO system, the soil development has been in the main focus of European systems. Nevertheless , recent developments in soil science stress the importance of the functions of soils with respect to the ecosystems. As soil mapping systems usually offer a sound and extensive database, the deduction of soil functions from "classic" mapping parameters can be used for local and regional assessments. According to the used pedo-transfer functions and mapping systems, tailored approaches can be chosen for different applications. In Austria, a system mainly for spatial planning purposes has been developed that will be presented and illustrated by means of best practice examples.

  14. On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: Benchmarks approaching the complete basis set limit

    Science.gov (United States)

    Santra, Biswajit; Michaelides, Angelos; Scheffler, Matthias

    2007-11-01

    The ability of several density-functional theory (DFT) exchange-correlation functionals to describe hydrogen bonds in small water clusters (dimer to pentamer) in their global minimum energy structures is evaluated with reference to second order Møller-Plesset perturbation theory (MP2). Errors from basis set incompleteness have been minimized in both the MP2 reference data and the DFT calculations, thus enabling a consistent systematic evaluation of the true performance of the tested functionals. Among all the functionals considered, the hybrid X3LYP and PBE0 functionals offer the best performance and among the nonhybrid generalized gradient approximation functionals, mPWLYP and PBE1W perform best. The popular BLYP and B3LYP functionals consistently underbind and PBE and PW91 display rather variable performance with cluster size.

  15. The molecular basis of convergence in hemoglobin function in high-altitude Andean birds

    DEFF Research Database (Denmark)

    Storz, Jay; Natarajan, Chandrasekhar; Witt, Christopher C.

    2016-01-01

    Max Perutz predicted that adaptive changes in functional properties of vertebrate hemoglobin (Hb) would typically be attributable to a small number of substitutions at key residue positions (1983, Mol. Biol. Evol.). According to Perutz, amino acid substitutions that can be expected to make especi...

  16. Modeling of the Gross Regional Product on the Basis of Production Functions

    Science.gov (United States)

    Sadovin, Nikolay S.; Kokotkina, Tatiana N.; Barkalova, Tatiana G.; Tsaregorodsev, Evgeny I.

    2016-01-01

    The article is devoted to elaboration and construction of a static model of macroeconomics in which economics is considered as an unstructured holistic unit, the input of which receives the resources, and the output is the result of the functioning of economics in the form of gross domestic product or gross regional product. Resources are…

  17. Solution of the chemical master equation by radial basis functions approximation with interface tracking

    NARCIS (Netherlands)

    Kryven, I.; Röblitz, S; Schütte, C.

    2015-01-01

    Background: The chemical master equation is the fundamental equation of stochastic chemical kinetics. This differential-difference equation describes temporal evolution of the probability density function for states of a chemical system. A state of the system, usually encoded as a vector, represents

  18. Determining optimal interconnection capacity on the basis of hourly demand and supply functions of electricity

    International Nuclear Information System (INIS)

    Keppler, Jan Horst; Meunier, William; Coquentin, Alexandre

    2017-01-01

    Interconnections for cross-border electricity flows are at the heart of the project to create a common European electricity market. At the time, increase in production from variable renewables clustered during a limited numbers of hours reduces the availability of existing transport infrastructures. This calls for higher levels of optimal interconnection capacity than in the past. In complement to existing scenario-building exercises such as the TYNDP that respond to the challenge of determining optimal levels of infrastructure provision, the present paper proposes a new empirically-based methodology to perform Cost-Benefit analysis for the determination of optimal interconnection capacity, using as an example the French-German cross-border trade. Using a very fine dataset of hourly supply and demand curves (aggregated auction curves) for the year 2014 from the EPEX Spot market, it constructs linearized net export (NEC) and net import demand curves (NIDC) for both countries. This allows assessing hour by hour the welfare impacts for incremental increases in interconnection capacity. Summing these welfare increases over the 8 760 hours of the year, this provides the annual total for each step increase of interconnection capacity. Confronting welfare benefits with the annual cost of augmenting interconnection capacity indicated the socially optimal increase in interconnection capacity between France and Germany on the basis of empirical market micro-data. (authors)

  19. Specific neural basis of Chinese idioms processing: an event-related functional MRI study

    International Nuclear Information System (INIS)

    Chen Shaoqi; Zhang Yanzhen; Xiao Zhuangwei; Zhang Xuexin

    2007-01-01

    Objective: To address the neural basis of Chinese idioms processing with different kinds of stimuli using an event-related fMRI design. Methods: Sixteen native Chinese speakers were asked to perform a semantic decision task during fMRI scanning. Three kinds of stimuli were used: Real idioms (Real-idiom condition); Literally plausible phrases (Pseudo-idiom condition, the last character of a real idiom was replaced by a character with similar meaning); Literally implausible strings (Non-idiom condition, the last character of a real idiom was replaced by a character with unrelated meaning). Reaction time and correct rate were recorded at the same time. Results: The error rate was 2.6%, 5.2% and 0.9% (F=3.51, P 0.05) for real idioms, pseudo-idioms and wrong idioms, respectively. Similar neural network was activated in all of the three conditions. However, the right hippocampus was only activated in the real idiom condition, and significant activations were found in anterior portion of left inferior frontal gyms (BA47) in real-and pseudo-idiom conditions, but not in non-idiom condition. Conclusion: The right hippocampus plays a specific role in the particular wording of the Chinese idioms. And the left anterior inferior frontal gyms (BA47) may be engaged in the semantic processing of Chinese idioms. The results support the notion that there were specific neural bases for Chinese idioms processing. (authors)

  20. Resting state functional connectivity: its physiological basis and application in neuropharmacology.

    Science.gov (United States)

    Lu, Hanbing; Stein, Elliot A

    2014-09-01

    Brain structures do not work in isolation; they work in concert to produce sensory perception, motivation and behavior. Systems-level network activity can be investigated by resting state magnetic resonance imaging (rsMRI), an emerging neuroimaging technique that assesses the synchrony of the brain's ongoing spontaneous activity. Converging evidence reveals that rsMRI is able to consistently identify distinct spatiotemporal patterns of large-scale brain networks. Dysregulation within and between these networks has been implicated in a number of neurodegenerative and neuropsychiatric disorders, including Alzheimer's disease and drug addiction. Despite wide application of this approach in systems neuroscience, the physiological basis of these fluctuations remains incompletely understood. Here we review physiological studies in electrical, metabolic and hemodynamic fluctuations that are most pertinent to the rsMRI signal. We also review recent applications to neuropharmacology - specifically drug effects on resting state fluctuations. We speculate that the mechanisms governing spontaneous fluctuations in regional oxygenation availability likely give rise to the observed rsMRI signal. We conclude by identifying several open questions surrounding this technique. This article is part of the Special Issue Section entitled 'Neuroimaging in Neuropharmacology'. Published by Elsevier Ltd.

  1. The neuropathological basis to the functional role of microglia/macrophages in gliomas.

    Science.gov (United States)

    Schiffer, Davide; Mellai, Marta; Bovio, Enrica; Annovazzi, Laura

    2017-09-01

    The paper wants to be a tracking shot of the main recent acquisitions on the function and significance of microglia/macrophages in gliomas. The observations have been principally carried out on in vitro cultures and on tumor transplants in animals. Contrary to what is deduced from microglia in non-neoplastic pathologic conditions of central nervous system (CNS), most conclusions indicate that microglia acts favoring tumor proliferation through an immunosuppression induced by glioma cells. By immunohistochemistry, different microglia phenotypes are recognized in gliomas, from ramified microglia to frank macrophagic aspect. One wonders whether the functional conclusions drawn from many microglia studies, but not in conditions of human pathology, apply to all the phenotypes recognizable in them. It is difficult to verify in human pathology a prognostic significance of microglia. Only CD163-positive microglia/macrophages inversely correlate with glioma patients' survival, whereas the total number of microglia does not change with the malignancy grade.

  2. Plant functional modelling as a basis for assessing the impact of management on plant safety

    International Nuclear Information System (INIS)

    Rasmussen, Birgitte; Petersen, Kurt E.

    1999-01-01

    A major objective of the present work is to provide means for representing a chemical process plant as a socio-technical system, so as to allow hazard identification at a high level in order to identify major targets for safety development. The main phases of the methodology are: (1) preparation of a plant functional model where a set of plant functions describes coherently hardware, software, operations, work organization and other safety related aspects. The basic principle is that any aspect of the plant can be represented by an object based upon an Intent and associated with each Intent are Methods, by which the Intent is realized, and Constraints, which limit the Intent. (2) Plant level hazard identification based on keywords/checklists and the functional model. (3) Development of incident scenarios and selection of hazardous situation with different safety characteristics. (4) Evaluation of the impact of management on plant safety through interviews. (5) Identification of safety critical ways of action in the management system, i.e. identification of possible error- and violation-producing conditions

  3. Draft Function Allocation Framework and Preliminary Technical Basis for Advanced SMR Concepts of Operations

    Energy Technology Data Exchange (ETDEWEB)

    Jacques Hugo; John Forester; David Gertman; Jeffrey Joe; Heather Medema; Julius Persensky; April Whaley

    2013-04-01

    This report presents preliminary research results from the investigation in to the development of new models and guidance for concepts of operations (ConOps) in advanced small modular reactor (aSMR) designs. In support of this objective, three important research areas were included: operating principles of multi-modular plants, functional allocation models and strategies that would affect the development of new, non-traditional concept of operations, and the requiremetns for human performance, based upon work domain analysis and current regulatory requirements. As part of the approach for this report, we outline potential functions, including the theoretical and operational foundations for the development of a new functional allocation model and the identification of specific regulatory requirements that will influence the development of future concept of operations. The report also highlights changes in research strategy prompted by confirmationof the importance of applying the work domain analysis methodology to a reference aSMR design. It is described how this methodology will enrich the findings from this phase of the project in the subsequent phases and help in identification of metrics and focused studies for the determination of human performance criteria that can be used to support the design process.

  4. A Sequential Optimization Sampling Method for Metamodels with Radial Basis Functions

    Science.gov (United States)

    Pan, Guang; Ye, Pengcheng; Yang, Zhidong

    2014-01-01

    Metamodels have been widely used in engineering design to facilitate analysis and optimization of complex systems that involve computationally expensive simulation programs. The accuracy of metamodels is strongly affected by the sampling methods. In this paper, a new sequential optimization sampling method is proposed. Based on the new sampling method, metamodels can be constructed repeatedly through the addition of sampling points, namely, extrema points of metamodels and minimum points of density function. Afterwards, the more accurate metamodels would be constructed by the procedure above. The validity and effectiveness of proposed sampling method are examined by studying typical numerical examples. PMID:25133206

  5. Geometrical correction for the inter- and intramolecular basis set superposition error in periodic density functional theory calculations.

    Science.gov (United States)

    Brandenburg, Jan Gerit; Alessio, Maristella; Civalleri, Bartolomeo; Peintinger, Michael F; Bredow, Thomas; Grimme, Stefan

    2013-09-26

    We extend the previously developed geometrical correction for the inter- and intramolecular basis set superposition error (gCP) to periodic density functional theory (DFT) calculations. We report gCP results compared to those from the standard Boys-Bernardi counterpoise correction scheme and large basis set calculations. The applicability of the method to molecular crystals as the main target is tested for the benchmark set X23. It consists of 23 noncovalently bound crystals as introduced by Johnson et al. (J. Chem. Phys. 2012, 137, 054103) and refined by Tkatchenko et al. (J. Chem. Phys. 2013, 139, 024705). In order to accurately describe long-range electron correlation effects, we use the standard atom-pairwise dispersion correction scheme DFT-D3. We show that a combination of DFT energies with small atom-centered basis sets, the D3 dispersion correction, and the gCP correction can accurately describe van der Waals and hydrogen-bonded crystals. Mean absolute deviations of the X23 sublimation energies can be reduced by more than 70% and 80% for the standard functionals PBE and B3LYP, respectively, to small residual mean absolute deviations of about 2 kcal/mol (corresponding to 13% of the average sublimation energy). As a further test, we compute the interlayer interaction of graphite for varying distances and obtain a good equilibrium distance and interaction energy of 6.75 Å and -43.0 meV/atom at the PBE-D3-gCP/SVP level. We fit the gCP scheme for a recently developed pob-TZVP solid-state basis set and obtain reasonable results for the X23 benchmark set and the potential energy curve for water adsorption on a nickel (110) surface.

  6. Thermal Remote Sensing: A Powerful Tool in the Characterization of Landscapes on a Functional Basis

    Science.gov (United States)

    Jeffrey, Luvall C.; Kay, James; Fraser, Roydon

    1999-01-01

    Thermal remote sensing instruments can function as environmental measuring tools, with capabilities leading toward new directions in functional landscape ecology. Theoretical deduction and phenomenological observation leads us to believe that the second law of thermodynamics requires that all dynamically systems develop in a manner which dissipates gradients as rapidly as possible within the constraints of the system at hand. The ramification of this requirement is that dynamical systems will evolve dissipative structures which grow and complexify over time. This perspective has allowed us to develop a framework for discussing ecosystem development and integrity. In the context of this framework we have developed measures of development and integrity for ecosystems. One set of these measures is based on destruction of the exergy content of incoming solar energy. More developed ecosystems will be more effective at dissipating the solar gradient (destroying its exergy content). This can be measured by the effective surface temperature of the ecosystem on a landscape scale. These surface temperatures are measured using airborne thermal scanners such as the Thermal Infrared Multispectral Scanner (TIMS) and the Airborne Thermal/Visible Land Application Sensor(ATLAS) sensors. An analysis of agriculture and forest ecosystems will be used to illustrate the concept of ecological thermodynamics and the development of ecosystems.

  7. The functional and structural neural basis of individual differences in loss aversion.

    Science.gov (United States)

    Canessa, Nicola; Crespi, Chiara; Motterlini, Matteo; Baud-Bovy, Gabriel; Chierchia, Gabriele; Pantaleo, Giuseppe; Tettamanti, Marco; Cappa, Stefano F

    2013-09-04

    Decision making under risk entails the anticipation of prospective outcomes, typically leading to the greater sensitivity to losses than gains known as loss aversion. Previous studies on the neural bases of choice-outcome anticipation and loss aversion provided inconsistent results, showing either bidirectional mesolimbic responses of activation for gains and deactivation for losses, or a specific amygdala involvement in processing losses. Here we focused on loss aversion with the aim to address interindividual differences in the neural bases of choice-outcome anticipation. Fifty-six healthy human participants accepted or rejected 104 mixed gambles offering equal (50%) chances of gaining or losing different amounts of money while their brain activity was measured with functional magnetic resonance imaging (fMRI). We report both bidirectional and gain/loss-specific responses while evaluating risky gambles, with amygdala and posterior insula specifically tracking the magnitude of potential losses. At the individual level, loss aversion was reflected both in limbic fMRI responses and in gray matter volume in a structural amygdala-thalamus-striatum network, in which the volume of the "output" centromedial amygdala nuclei mediating avoidance behavior was negatively correlated with monetary performance. We conclude that outcome anticipation and ensuing loss aversion involve multiple neural systems, showing functional and structural individual variability directly related to the actual financial outcomes of choices. By supporting the simultaneous involvement of both appetitive and aversive processing in economic decision making, these results contribute to the interpretation of existing inconsistencies on the neural bases of anticipating choice outcomes.

  8. Mass spectra and wave functions of meson systems and the covariant oscillator quark model as an expansion basis

    International Nuclear Information System (INIS)

    Oda, Ryuichi; Ishida, Shin; Wada, Hiroaki; Yamada, Kenji; Sekiguchi, Motoo

    1999-01-01

    We examine mass spectra and wave functions of the nn-bar, cc-bar and bb-bar meson systems within the framework of the covariant oscillator quark model with the boosted LS-coupling scheme. We solve nonperturbatively an eigenvalue problem for the squared-mass operator, which incorporates the four-dimensional color-Coulomb-type interaction, by taking a set of covariant oscillator wave functions as an expansion basis. We obtain mass spectra of these meson systems, which reproduce quite well their experimental behavior. The resultant manifestly covariant wave functions, which are applicable to analyses of various reaction phenomena, are given. Our results seem to suggest that the present model may be considered effectively as a covariant version of the nonrelativistic linear-plus-Coulomb potential quark model. (author)

  9. Development and fabrication of patient-specific knee implant using additive manufacturing techniques

    Science.gov (United States)

    Zammit, Robert; Rochman, Arif

    2017-10-01

    Total knee replacement is the most effective treatment to relief pain and restore normal function in a diseased knee joint. The aim of this research was to develop a patient-specific knee implant which can be fabricated using additive manufacturing techniques and has reduced wear rates using a highly wear resistant materials. The proposed design was chosen based on implant requirements, such as reduction in wear rates as well as strong fixation. The patient-specific knee implant improves on conventional knee implants by modifying the articulating surfaces and bone-implant interfaces. Moreover, tribological tests of different polymeric wear couples were carried out to determine the optimal materials to use for the articulating surfaces. Finite element analysis was utilized to evaluate the stresses sustained by the proposed design. Finally, the patient-specific knee implant was successfully built using additive manufacturing techniques.

  10. Protein Tyrosine Nitration: Biochemical Mechanisms and Structural Basis of its Functional Effects

    Science.gov (United States)

    Radi, Rafael

    2012-01-01

    CONSPECTUS The nitration of protein tyrosine residues to 3-nitrotyrosine represents an oxidative postranslational modification that unveils the disruption of nitric oxide (•NO) signaling and metabolism towards pro-oxidant processes. Indeed, excess levels of reactive oxygen species in the presence of •NO or •NO-derived metabolites lead to the formation of nitrating species such as peroxynitrite. Thus, protein 3-nitrotyrosine has been established as a biomarker of cell, tissue and systemic “nitroxidative stress”. Moreover, tyrosine nitration modifies key properties of the amino acid (i.e. phenol group pKa, redox potential, hydrophobicity and volume). Thus, the incorporation of a nitro group (−NO2) to protein tyrosines can lead to profound structural and functional changes, some of which contribute to altered cell and tissue homeostasis. In this Account, I describe our current efforts to define 1) biologically-relevant mechanisms of protein tyrosine nitration and 2) how this modification can cause changes in protein structure and function at the molecular level. First, the relevance of protein tyrosine nitration via free radical-mediated reactions (in both peroxynitrite-dependent or independent pathways) involving the intermediacy of tyrosyl radical (Tyr•) will be underscored. This feature of the nitration process becomes critical as Tyr• can take variable fates, including the formation of 3-nitrotyrosine. Fast kinetic techniques, electron paramagnetic resonance (EPR) studies, bioanalytical methods and kinetic simulations have altogether assisted to characterize and fingerprint the reactions of tyrosine with peroxynitrite and one-electron oxidants and its further evolution to 3-nitrotyrosine. Recent findings show that nitration of tyrosines in proteins associated to biomembranes is linked to the lipid peroxidation process via a connecting reaction that involves the one-electron oxidation of tyrosine by lipid peroxyl radicals (LOO•). Second

  11. Comparing the Robustness of Evolutionary Algorithms on the Basis of Benchmark Functions

    Directory of Open Access Journals (Sweden)

    DENIZ ULKER, E.

    2013-05-01

    Full Text Available In real-world optimization problems, even though the solution quality is of great importance, the robustness of the solution is also an important aspect. This paper investigates how the optimization algorithms are sensitive to the variations of control parameters and to the random initialization of the solution set for fixed control parameters. The comparison is performed of three well-known evolutionary algorithms which are Particle Swarm Optimization (PSO algorithm, Differential Evolution (DE algorithm and the Harmony Search (HS algorithm. Various benchmark functions with different characteristics are used for the evaluation of these algorithms. The experimental results show that the solution quality of the algorithms is not directly related to their robustness. In particular, the algorithm that is highly robust can have a low solution quality, or the algorithm that has a high quality of solution can be quite sensitive to the parameter variations.

  12. Nanocomposites based on thermoplastic elastomers with functional basis of nano titanium dioxide

    Energy Technology Data Exchange (ETDEWEB)

    Yulovskaya, V. D.; Kuz’micheva, G. M., E-mail: galina-kuzmicheva@list.ru [Federal State Budget Educational Institution of Higher Education “Moscow Technological University” (Russian Federation); Klechkovskaya, V. V. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Orekhov, A. S.; Zubavichus, Ya. V. [National Research Centre “Kurchatov Institute” (Russian Federation); Domoroshchina, E. N.; Shegay, A. V. [Federal State Budget Educational Institution of Higher Education “Moscow Technological University” (Russian Federation)

    2016-03-15

    Nanocomposites based on a thermoplastic elastomer (TPE) (low-density polyethylene (LDPE) and 1,2-polybutadiene in a ratio of 60/40) with functional titanium dioxide nanoparticles of different nature, TiO{sub 2}/TPE, have been prepared and investigated by a complex of methods (X-ray diffraction analysis using X-ray and synchrotron radiation beams, scanning electron microscopy, transmission electron microscopy, and X-ray energy-dispersive spectroscopy). The morphology of the composites is found to be somewhat different, depending on the TiO{sub 2} characteristics. It is revealed that nanocomposites with cellular or porous structures containing nano-TiO{sub 2} aggregates with a large specific surface and large sizes of crystallites and nanoparticles exhibit the best deformation‒strength and fatigue properties and stability to the effect of active media under conditions of ozone and vapor‒air aging.

  13. Structural basis of transport function in major facilitator superfamily protein from Trichoderma harzianum.

    Science.gov (United States)

    Chaudhary, Nitika; Sandhu, Padmani; Ahmed, Mushtaq; Akhter, Yusuf

    2017-02-01

    Trichothecenes are the sesquiterpenes secreted by Trichoderma spp. residing in the rhizosphere. These compounds have been reported to act as plant growth promoters and bio-control agents. The structural knowledge for the transporter proteins of their efflux remained limited. In this study, three-dimensional structure of Thmfs1 protein, a trichothecene transporter from Trichoderma harzianum, was homology modelled and further Molecular Dynamics (MD) simulations were used to decipher its mechanism. Fourteen transmembrane helices of Thmfs1 protein are observed contributing to an inward-open conformation. The transport channel and ligand binding sites in Thmfs1 are identified based on heuristic, iterative algorithm and structural alignment with homologous proteins. MD simulations were performed to reveal the differential structural behaviour occurring in the ligand free and ligand bound forms. We found that two discrete trichothecene binding sites are located on either side of the central transport tunnel running from the cytoplasmic side to the extracellular side across the Thmfs1 protein. Detailed analysis of the MD trajectories showed an alternative access mechanism between N and C-terminal domains contributing to its function. These results also demonstrate that the transport of trichodermin occurs via hopping mechanism in which the substrate molecule jumps from one binding site to another lining the transport tunnel. Copyright © 2016 Elsevier B.V. All rights reserved.

  14. Cotransport of water and solutes in plant membranes: The molecular basis, and physiological functions

    Directory of Open Access Journals (Sweden)

    Lars H. Wegner

    2017-03-01

    Full Text Available Current concepts of plant membrane transport are based on the assumption that water and solutes move across membranes via separate pathways. According to this view, coupling between the fluxes is more or less exclusively constituted via the osmotic force that solutes exert on water transport. This view is questioned here, and experimental evidence for a cotransport of water and solutes is reviewed. The overview starts with ion channels that provide pathways for both ion and water transport, as exemplified for maxi K+ channels from cytoplasmic droplets of Chara corallina. Aquaporins are usually considered to be selective for water (just allowing for slippage of some other small, neutral molecules. Recently, however, a “dual function” aquaporin has been characterized from Arabidopsis thaliana (AtPIP2.1 that translocates water and at the same time conducts cations, preferentially Na+. By analogy with mammalian physiology, other candidates for solute-water flux coupling are cation-chloride cotransporters of the CCC type, and transporters of sugars and amino acids. The last part is dedicated to possible physiological functions that could rely on solute-water cotransport. Among these are the generation of root pressure, refilling of embolized xylem vessels, fast turgor-driven movements of leaves, cell elongation (growth, osmoregulation and adjustment of buoyancy in marine algae. This review will hopefully initiate further research in the field.

  15. Discerning Thermodynamic Basis of Self-Organization in Critical Zone Structure and Function

    Science.gov (United States)

    Richardson, M.; Kumar, P.

    2017-12-01

    Self-organization characterizes the spontaneous emergence of order. Self-organization in the Critical Zone, the region of Earth's skin from below the groundwater table to the top of the vegetation canopy, involves the interaction of biotic and abiotic processes occurring through a hierarchy of temporal and spatial scales. The self-organization is sustained through input of energy and material in an open system framework, and the resulting formations are called dissipative structures. Why do these local states of organization form and how are they thermodynamically favorable? We hypothesize that structure formation is linked to energy conversion and matter throughput rates across driving gradients. Furthermore, we predict that structures in the Critical Zone evolve based on local availability of nutrients, water, and energy. By considering ecosystems as open thermodynamic systems, we model and study the throughput signatures on short times scales to determine origins and characteristics of ecosystem structure. This diagnostic approach allows us to use fluxes of matter and energy to understand the thermodynamic drivers of the system. By classifying the fluxes and dynamics in a system, we can identify patterns to determine the thermodynamic drivers for organized states. Additionally, studying the partitioning of nutrients, water, and energy throughout ecosystems through dissipative structures will help identify reasons for structure shapes and how these shapes impact major Critical Zone functions.

  16. Structural basis for plant plasma membrane protein dynamics and organization into functional nanodomains.

    Science.gov (United States)

    Gronnier, Julien; Crowet, Jean-Marc; Habenstein, Birgit; Nasir, Mehmet Nail; Bayle, Vincent; Hosy, Eric; Platre, Matthieu Pierre; Gouguet, Paul; Raffaele, Sylvain; Martinez, Denis; Grelard, Axelle; Loquet, Antoine; Simon-Plas, Françoise; Gerbeau-Pissot, Patricia; Der, Christophe; Bayer, Emmanuelle M; Jaillais, Yvon; Deleu, Magali; Germain, Véronique; Lins, Laurence; Mongrand, Sébastien

    2017-07-31

    Plasma Membrane is the primary structure for adjusting to ever changing conditions. PM sub-compartmentalization in domains is thought to orchestrate signaling. Yet, mechanisms governing membrane organization are mostly uncharacterized. The plant-specific REMORINs are proteins regulating hormonal crosstalk and host invasion. REMs are the best-characterized nanodomain markers via an uncharacterized moiety called REMORIN C-terminal Anchor. By coupling biophysical methods, super-resolution microscopy and physiology, we decipher an original mechanism regulating the dynamic and organization of nanodomains. We showed that targeting of REMORIN is independent of the COP-II-dependent secretory pathway and mediated by PI4P and sterol. REM-CA is an unconventional lipid-binding motif that confers nanodomain organization. Analyses of REM-CA mutants by single particle tracking demonstrate that mobility and supramolecular organization are critical for immunity. This study provides a unique mechanistic insight into how the tight control of spatial segregation is critical in the definition of PM domain necessary to support biological function.

  17. ROAM: A Radial-Basis-Function Optimization Approximation Method for Diagnosing the Three-Dimensional Coronal Magnetic Field

    International Nuclear Information System (INIS)

    Dalmasse, Kevin; Nychka, Douglas W.; Gibson, Sarah E.; Fan, Yuhong; Flyer, Natasha

    2016-01-01

    The Coronal Multichannel Polarimeter (CoMP) routinely performs coronal polarimetric measurements using the Fe XIII 10747 and 10798 lines, which are sensitive to the coronal magnetic field. However, inverting such polarimetric measurements into magnetic field data is a difficult task because the corona is optically thin at these wavelengths and the observed signal is therefore the integrated emission of all the plasma along the line of sight. To overcome this difficulty, we take on a new approach that combines a parameterized 3D magnetic field model with forward modeling of the polarization signal. For that purpose, we develop a new, fast and efficient, optimization method for model-data fitting: the Radial-basis-functions Optimization Approximation Method (ROAM). Model-data fitting is achieved by optimizing a user-specified log-likelihood function that quantifies the differences between the observed polarization signal and its synthetic/predicted analog. Speed and efficiency are obtained by combining sparse evaluation of the magnetic model with radial-basis-function (RBF) decomposition of the log-likelihood function. The RBF decomposition provides an analytical expression for the log-likelihood function that is used to inexpensively estimate the set of parameter values optimizing it. We test and validate ROAM on a synthetic test bed of a coronal magnetic flux rope and show that it performs well with a significantly sparse sample of the parameter space. We conclude that our optimization method is well-suited for fast and efficient model-data fitting and can be exploited for converting coronal polarimetric measurements, such as the ones provided by CoMP, into coronal magnetic field data.

  18. The conceptual basis of mathematics in cardiology: (I) algebra, functions and graphs.

    Science.gov (United States)

    Bates, Jason H T; Sobel, Burton E

    2003-02-01

    This is the first in a series of four articles developed for the readers of. Without language ideas cannot be articulated. What may not be so immediately obvious is that they cannot be formulated either. One of the essential languages of cardiology is mathematics. Unfortunately, medical education does not emphasize, and in fact, often neglects empowering physicians to think mathematically. Reference to statistics, conditional probability, multicompartmental modeling, algebra, calculus and transforms is common but often without provision of genuine conceptual understanding. At the University of Vermont College of Medicine, Professor Bates developed a course designed to address these deficiencies. The course covered mathematical principles pertinent to clinical cardiovascular and pulmonary medicine and research. It focused on fundamental concepts to facilitate formulation and grasp of ideas. This series of four articles was developed to make the material available for a wider audience. The articles will be published sequentially in Coronary Artery Disease. Beginning with fundamental axioms and basic algebraic manipulations they address algebra, function and graph theory, real and complex numbers, calculus and differential equations, mathematical modeling, linear system theory and integral transforms and statistical theory. The principles and concepts they address provide the foundation needed for in-depth study of any of these topics. Perhaps of even more importance, they should empower cardiologists and cardiovascular researchers to utilize the language of mathematics in assessing the phenomena of immediate pertinence to diagnosis, pathophysiology and therapeutics. The presentations are interposed with queries (by Coronary Artery Disease, abbreviated as CAD) simulating the nature of interactions that occurred during the course itself. Each article concludes with one or more examples illustrating application of the concepts covered to cardiovascular medicine and

  19. Analysis of ion beam teletherapy patient-specific quality assurance.

    Science.gov (United States)

    Liu, Xiaoli; Deng, Yu; Schlegel, Nicki; Huang, Zhijie; Moyers, Michael F

    2018-02-27

    The objective of this study was to evaluate the procedures for patient-specific quality assurance measurements using modulated scanned and energy stacked beams for proton and carbon ion teletherapy. Delivery records from 1734 portal measurements were analyzed using a 3-point pass criteria: more than 22 of 24 chambers in a water phantom (WP) had to have a measured dose difference from the planned portal doses less than or equal to 3%, or the distance from the measurement point location to a point location in the plan having the same dose had to be less than or equal to 3 mm (distance to agreement [DTA]), and the mean dose deviation of all chambers had to be less than 3%. Stratification of results showed some associations between measurement parameters and pass rates. For proton portals, pass rates were high at all measurement depths, but for carbon ion portals, pass rates decreased as a function of increasing measurement depth. Pass rates of both proton and carbon ion portals with 1 WP were slightly lower than those with a second WP. The total pass rates were 97.7% and 91.9% for proton and carbon ion patient portals, respectively. In general, the measured doses exhibited good agreement with the treatment planning system (TPS) calculated doses. When the chamber position was deeper than 150 mm in carbon ion beams, a lower pass rate was observed, which may have been caused by ion chamber array setup uncertainty (lateral and depth) in highly modulated portals or incorrect modeling of scatter by the TPS. These deviations need further investigation. Copyright © 2018 American Association of Medical Dosimetrists. Published by Elsevier Inc. All rights reserved.

  20. Sturmian functions in a L{sup 2} basis: Critical nuclear charge for N-electron atoms

    Energy Technology Data Exchange (ETDEWEB)

    Frapiccini, A.L. [Departamento de Fisica, Universidad Nacional del Sur, Bahia Blanca (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (Argentina)], E-mail: afrapic@uns.edu.ar; Gasaneo, G. [Departamento de Fisica, Universidad Nacional del Sur, Bahia Blanca (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (Argentina); Colavecchia, F.D. [Centro Atomico Bariloche, San Carlos de Bariloche, Rio Negro (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (Argentina); Mitnik, D. [Instituto de Astronomia y Fisica del Espacio and, Departamento de Fisica, Universidad de Buenos Aires (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (Argentina)

    2007-10-15

    Two particle Sturmian functions [M. Rotenberg, Ann. Phys., NY 19 (1962) 262; S.V. Khristenko, Theor. Math. Fiz. 22 (1975) 31 (Engl. Transl. Theor. Math. Phys. 22, 21)] for a short range potentials are obtained by expanding the solution of the Schroedinger equation in a finite L{sup 2}Laguerre-type basis. These functions are chosen to satisfy certain boundary conditions, such as regularity at the origin and the correct asymptotic behavior according to the energy domain: exponential decay for negative energy and outgoing (incoming or standing wave) for positive energy. The set of eigenvalues obtained is discrete for both positive and negative energies. This Sturmian basis is used to solve the Schroedinger equation for a one-particle model potential [A.V. Sergeev, S. Kais, J. Quant. Chem. 75 (1999) 533] to describe the motion of a loosely bound electron in a multielectron atom. Values of the two parameters of the potential are computed to represent the Helium isoelectronic series and the critical nuclear charge Z{sub c} is found, in good agreement with previous calculations.

  1. Novel approach for tomographic reconstruction of gas concentration distributions in air: Use of smooth basis functions and simulated annealing

    Science.gov (United States)

    Drescher, A. C.; Gadgil, A. J.; Price, P. N.; Nazaroff, W. W.

    Optical remote sensing and iterative computed tomography (CT) can be applied to measure the spatial distribution of gaseous pollutant concentrations. We conducted chamber experiments to test this combination of techniques using an open path Fourier transform infrared spectrometer (OP-FTIR) and a standard algebraic reconstruction technique (ART). Although ART converged to solutions that showed excellent agreement with the measured ray-integral concentrations, the solutions were inconsistent with simultaneously gathered point-sample concentration measurements. A new CT method was developed that combines (1) the superposition of bivariate Gaussians to represent the concentration distribution and (2) a simulated annealing minimization routine to find the parameters of the Gaussian basis functions that result in the best fit to the ray-integral concentration data. This method, named smooth basis function minimization (SBFM), generated reconstructions that agreed well, both qualitatively and quantitatively, with the concentration profiles generated from point sampling. We present an analysis of two sets of experimental data that compares the performance of ART and SBFM. We conclude that SBFM is a superior CT reconstruction method for practical indoor and outdoor air monitoring applications.

  2. Solving one-dimensional phase change problems with moving grid method and mesh free radial basis functions

    International Nuclear Information System (INIS)

    Vrankar, L.; Turk, G.; Runovc, F.; Kansa, E.J.

    2006-01-01

    Many heat-transfer problems involve a change of phase of material due to solidification or melting. Applications include: the safety studies of nuclear reactors (molten core concrete interaction), the drilling of high ice-content soil, the storage of thermal energy, etc. These problems are often called Stefan's or moving boundary value problems. Mathematically, the interface motion is expressed implicitly in an equation for the conservation of thermal energy at the interface (Stefan's conditions). This introduces a non-linear character to the system which treats each problem somewhat uniquely. The exact solution of phase change problems is limited exclusively to the cases in which e.g. the heat transfer regions are infinite or semi-infinite one dimensional-space. Therefore, solution is obtained either by approximate analytical solution or by numerical methods. Finite-difference methods and finite-element techniques have been used extensively for numerical solution of moving boundary problems. Recently, the numerical methods have focused on the idea of using a mesh-free methodology for the numerical solution of partial differential equations based on radial basis functions. In our case we will study solid-solid transformation. The numerical solutions will be compared with analytical solutions. Actually, in our work we will examine usefulness of radial basis functions (especially multiquadric-MQ) for one-dimensional Stefan's problems. The position of the moving boundary will be simulated by moving grid method. The resultant system of RBF-PDE will be solved by affine space decomposition. (author)

  3. Prediction of the Reminiscence Functions in Older Adults on the Basis of the Five Personality Factor Model

    Directory of Open Access Journals (Sweden)

    Azam Farmani

    2014-07-01

    Full Text Available Objectives: The aim of the present study is to examine the prediction of the reminiscence functions in older adults on the basis of the five personality factor model.  Methods & Materials: 242 elderly adults older than 60 were recruited from retirement clubs of the city of Shiraz via available sampling method. The participants completed the Reminiscence Functions Scale and Goldberg's International Personality Item Pool. Forty participants were deleted from the sample because they did not complete the questionnaires fully. All the participants took part in the study with their conscious consent. To conduct the necessary descriptive and inferential statistical operations, SPSS (Version 16 was used. Mean, standard deviation and Pearson correlation coefficient were utilized to analyze the data in the descriptive statistics section, And in inferential statistics section, simultaneous multiple regression was used to predict reminiscence functions.  Results: According to the results of the multiple regression analysis, Neuroticism predicted the reminiscence functions of Bitterness Revival (β=0.28, P≤0.001 and Intimacy Maintenance (β=0.25, P≤0.001 and Extraversion predicted the reminiscence functions of Teach/Inform (β=0.18, P<0.05.  Conclusion: The results indicated that people with higher levels of psychological distress tend to rehash and ruminate on bitter memories and hold onto memories of intimate social relations who are no longer part of their lives. Moreover, extravert people tend to share memories to transmit a lesson of life and share personal ideologies and experiences. Clinicians should focus on more adaptive functions of reminiscence (e.g., identity, problem solving and teach/inform and teach such functions.

  4. Patient Specific Modeling of Head-Up Tilt

    DEFF Research Database (Denmark)

    Williams, Nakeya; Wright, Andrew; Mehlsen, Jesper

    2014-01-01

    Short term cardiovascular responses to head-up tilt (HUT) experiments involve complex cardiovascular regulation in order to maintain blood pressure at homeostatic levels. This manuscript presents a patient specific compartmental model developed to predict dynamic changes in heart rate and arterial...

  5. Patient specific 3D visualisation of human brain | Baichoo ...

    African Journals Online (AJOL)

    University of Mauritius Research Journal. Journal Home · ABOUT THIS JOURNAL · Advanced Search · Current Issue · Archives · Journal Home > Vol 15, No 1 (2009) >. Log in or Register to get access to full text downloads. Username, Password, Remember me, or Register. Patient specific 3D visualisation of human brain.

  6. Automatic selective feature retention in patient specific elastic surface registration

    CSIR Research Space (South Africa)

    Jansen van Rensburg, GJ

    2011-01-01

    Full Text Available The accuracy with which a recent elastic surface registration algorithm deforms the complex geometry of a skull is examined. This algorithm is then coupled to a line based algorithm as is frequently used in patient specific feature registration...

  7. Patient specific 3D visualisation of human brain

    African Journals Online (AJOL)

    Nafiisah

    development of powerful new 3D image analysis and visualization algorithms that ... The tool is aimed to provide facility to reconstruct patient-specific 3D ... In this paper we present a review of the ... medical diagnosis, procedures training, pre-operative planning, ..... Body: Handbook of Numerical Analysis, Elsevier, 2004.

  8. 3D-printed patient-specific applications in orthopedics

    Directory of Open Access Journals (Sweden)

    Wong KC

    2016-10-01

    Full Text Available Kwok Chuen Wong Department of Orthopedics and Traumatology, Prince of Wales Hospital, The Chinese University of Hong Kong, Shatin, Hong Kong Abstract: With advances in both medical imaging and computer programming, two-dimensional axial images can be processed into other reformatted views (sagittal and coronal and three-dimensional (3D virtual models that represent a patients’ own anatomy. This processed digital information can be analyzed in detail by orthopedic surgeons to perform patient-specific orthopedic procedures. The use of 3D printing is rising and has become more prevalent in medical applications over the last decade as surgeons and researchers are increasingly utilizing the technology’s flexibility in manufacturing objects. 3D printing is a type of manufacturing process in which materials such as plastic or metal are deposited in layers to create a 3D object from a digital model. This additive manufacturing method has the advantage of fabricating objects with complex freeform geometry, which is impossible using traditional subtractive manufacturing methods. Specifically in surgical applications, the 3D printing techniques can not only generate models that give a better understanding of the complex anatomy and pathology of the patients and aid in education and surgical training, but can also produce patient-specific surgical guides or even custom implants that are tailor-made to the surgical requirements. As the clinical workflow of the 3D printing technology continues to evolve, orthopedic surgeons should embrace the latest knowledge of the technology and incorporate it into their clinical practice for patient-specific orthopedic applications. This paper is written to help orthopedic surgeons stay up-to-date on the emerging 3D technology, starting from the acquisition of clinical imaging to 3D printing for patient-specific applications in orthopedics. It 1 presents the necessary steps to prepare the medical images that are

  9. Decoupling control of a five-phase fault-tolerant permanent magnet motor by radial basis function neural network inverse

    Science.gov (United States)

    Chen, Qian; Liu, Guohai; Xu, Dezhi; Xu, Liang; Xu, Gaohong; Aamir, Nazir

    2018-05-01

    This paper proposes a new decoupled control for a five-phase in-wheel fault-tolerant permanent magnet (IW-FTPM) motor drive, in which radial basis function neural network inverse (RBF-NNI) and internal model control (IMC) are combined. The RBF-NNI system is introduced into original system to construct a pseudo-linear system, and IMC is used as a robust controller. Hence, the newly proposed control system incorporates the merits of the IMC and RBF-NNI methods. In order to verify the proposed strategy, an IW-FTPM motor drive is designed based on dSPACE real-time control platform. Then, the experimental results are offered to verify that the d-axis current and the rotor speed are successfully decoupled. Besides, the proposed motor drive exhibits strong robustness even under load torque disturbance.

  10. Seismic modeling with radial basis function-generated finite differences (RBF-FD) – a simplified treatment of interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Martin, Bradley, E-mail: brma7253@colorado.edu; Fornberg, Bengt, E-mail: Fornberg@colorado.edu

    2017-04-15

    In a previous study of seismic modeling with radial basis function-generated finite differences (RBF-FD), we outlined a numerical method for solving 2-D wave equations in domains with material interfaces between different regions. The method was applicable on a mesh-free set of data nodes. It included all information about interfaces within the weights of the stencils (allowing the use of traditional time integrators), and was shown to solve problems of the 2-D elastic wave equation to 3rd-order accuracy. In the present paper, we discuss a refinement of that method that makes it simpler to implement. It can also improve accuracy for the case of smoothly-variable model parameter values near interfaces. We give several test cases that demonstrate the method solving 2-D elastic wave equation problems to 4th-order accuracy, even in the presence of smoothly-curved interfaces with jump discontinuities in the model parameters.

  11. Decoupling Research on Flexible Tactile Sensors Interfered by White Gaussian Noise Using Improved Radical Basis Function Neural Network

    Directory of Open Access Journals (Sweden)

    Feilu Wang

    2014-04-01

    Full Text Available Research on tactile sensors to enhance their flexibility and ability of multi- dimensional information detection is a key issue to develop humanoid robots. In view of that the tactile sensor is often affected by noise, this paper adds different white Gaussian noises (WGN into the ideal model of flexible tactile sensors based on conductive rubber purposely, then improves the standard radial basis function neural network (RNFNN to deal with the noises. The modified RBFNN is applied to approximate and decouple the mapping relationship between row-column resistance with WGNs and three-dimensional deformation. Numerical experiments demonstrate that the decoupling result of the deformation for the sensor is quite good. The results show that the improved RBFNN which doesn’t rely on the mathematical model of the system has good anti-noise ability and robustness.

  12. The orthogonal gradients method: A radial basis functions method for solving partial differential equations on arbitrary surfaces

    KAUST Repository

    Piret, Cécile

    2012-05-01

    Much work has been done on reconstructing arbitrary surfaces using the radial basis function (RBF) method, but one can hardly find any work done on the use of RBFs to solve partial differential equations (PDEs) on arbitrary surfaces. In this paper, we investigate methods to solve PDEs on arbitrary stationary surfaces embedded in . R3 using the RBF method. We present three RBF-based methods that easily discretize surface differential operators. We take advantage of the meshfree character of RBFs, which give us a high accuracy and the flexibility to represent the most complex geometries in any dimension. Two out of the three methods, which we call the orthogonal gradients (OGr) methods are the result of our work and are hereby presented for the first time. © 2012 Elsevier Inc.

  13. Simulation and prediction of the thuringiensin abiotic degradation processes in aqueous solution by a radius basis function neural network model.

    Science.gov (United States)

    Zhou, Jingwen; Xu, Zhenghong; Chen, Shouwen

    2013-04-01

    The thuringiensin abiotic degradation processes in aqueous solution under different conditions, with a pH range of 5.0-9.0 and a temperature range of 10-40°C, were systematically investigated by an exponential decay model and a radius basis function (RBF) neural network model, respectively. The half-lives of thuringiensin calculated by the exponential decay model ranged from 2.72 d to 16.19 d under the different conditions mentioned above. Furthermore, an RBF model with accuracy of 0.1 and SPREAD value 5 was employed to model the degradation processes. The results showed that the model could simulate and predict the degradation processes well. Both the half-lives and the prediction data showed that thuringiensin was an easily degradable antibiotic, which could be an important factor in the evaluation of its safety. Copyright © 2012 Elsevier Ltd. All rights reserved.

  14. Application of radial basis functions and sinc method for solving the forced vibration of fractional viscoelastic beam

    Energy Technology Data Exchange (ETDEWEB)

    Permoon, M. R.; Haddadpour, H. [Sharif University of Tech, Tehran (Iran, Islamic Republic of); Rashidinia, J.; Parsa, A.; Salehi, R. [Iran University of Science and Technology, Tehran (Iran, Islamic Republic of)

    2016-07-15

    In this paper, the forced vibrations of the fractional viscoelastic beam with the Kelvin-Voigt fractional order constitutive relationship is studied. The equation of motion is derived from Newton's second law and the Galerkin method is used to discretize the equation of motion in to a set of linear ordinary differential equations. For solving the discretized equations, the radial basis functions and Sinc quadrature rule are used. In order to show the effectiveness and accuracy of this method, some test problem are considered, and it is shown that the obtained results are in very good agreement with exact solution. In the following, the proposed numerical solution is applied to exploring the effects of fractional parameters on the response of the beam and finally some conclusions are outlined.

  15. Classification of endoscopic capsule images by using color wavelet features, higher order statistics and radial basis functions.

    Science.gov (United States)

    Lima, C S; Barbosa, D; Ramos, J; Tavares, A; Monteiro, L; Carvalho, L

    2008-01-01

    This paper presents a system to support medical diagnosis and detection of abnormal lesions by processing capsule endoscopic images. Endoscopic images possess rich information expressed by texture. Texture information can be efficiently extracted from medium scales of the wavelet transform. The set of features proposed in this paper to code textural information is named color wavelet covariance (CWC). CWC coefficients are based on the covariances of second order textural measures, an optimum subset of them is proposed. Third and forth order moments are added to cope with distributions that tend to become non-Gaussian, especially in some pathological cases. The proposed approach is supported by a classifier based on radial basis functions procedure for the characterization of the image regions along the video frames. The whole methodology has been applied on real data containing 6 full endoscopic exams and reached 95% specificity and 93% sensitivity.

  16. Robust and Stable Disturbance Observer of Servo System for Low Speed Operation Using the Radial Basis Function Network

    DEFF Research Database (Denmark)

    Lee, Kyo-Beum; Blaabjerg, Frede

    2005-01-01

    A new scheme to estimate the moment of inertia in the servo motor drive system in very low speed is proposed in this paper. The speed estimation scheme in most servo drive systems for low speed operation is sensitive to the variation of machine parameter, especially the moment of inertia....... To estimate the motor inertia value, the observer using the Radial Basis Function Network (RBFN) is applied. A control law for stabilizing the system and adaptive laws for updating both of the weights in the RBFN and a bounding constant are established so that the whole closed-loop system is stable...... in the sense of Lyapunov. The effectiveness of the proposed inertia estimation is verified by simulations and experiments. It is concluded that the speed control performance in low speed region is improved with the proposed disturbance observer using RBFN....

  17. Application of Radial Basis Function Methods in the Development of a 95th Percentile Male Seated FEA Model.

    Science.gov (United States)

    Vavalle, Nicholas A; Schoell, Samantha L; Weaver, Ashley A; Stitzel, Joel D; Gayzik, F Scott

    2014-11-01

    Human body finite element models (FEMs) are a valuable tool in the study of injury biomechanics. However, the traditional model development process can be time-consuming. Scaling and morphing an existing FEM is an attractive alternative for generating morphologically distinct models for further study. The objective of this work is to use a radial basis function to morph the Global Human Body Models Consortium (GHBMC) average male model (M50) to the body habitus of a 95th percentile male (M95) and to perform validation tests on the resulting model. The GHBMC M50 model (v. 4.3) was created using anthropometric and imaging data from a living subject representing a 50th percentile male. A similar dataset was collected from a 95th percentile male (22,067 total images) and was used in the morphing process. Homologous landmarks on the reference (M50) and target (M95) geometries, with the existing FE node locations (M50 model), were inputs to the morphing algorithm. The radial basis function was applied to morph the FE model. The model represented a mass of 103.3 kg and contained 2.2 million elements with 1.3 million nodes. Simulations of the M95 in seven loading scenarios were presented ranging from a chest pendulum impact to a lateral sled test. The morphed model matched anthropometric data to within a rootmean square difference of 4.4% while maintaining element quality commensurate to the M50 model and matching other anatomical ranges and targets. The simulation validation data matched experimental data well in most cases.

  18. Influence of the Training Methods in the Diagnosis of Multiple Sclerosis Using Radial Basis Functions Artificial Neural Networks

    Directory of Open Access Journals (Sweden)

    Ángel Gutiérrez

    2015-04-01

    Full Text Available The data available in the average clinical study of a disease is very often small. This is one of the main obstacles in the application of neural networks to the classification of biological signals used for diagnosing diseases. A rule of thumb states that the number of parameters (weights that can be used for training a neural network should be around 15% of the available data, to avoid overlearning. This condition puts a limit on the dimension of the input space. Different authors have used different approaches to solve this problem, like eliminating redundancy in the data, preprocessing the data to find centers for the radial basis functions, or extracting a small number of features that were used as inputs. It is clear that the classification would be better the more features we could feed into the network. The approach utilized in this paper is incrementing the number of training elements with randomly expanding training sets. This way the number of original signals does not constraint the dimension of the input set in the radial basis network. Then we train the network using the method that minimizes the error function using the gradient descent algorithm and the method that uses the particle swarm optimization technique. A comparison between the two methods showed that for the same number of iterations on both methods, the particle swarm optimization was faster, it was learning to recognize only the sick people. On the other hand, the gradient method was not as good in general better at identifying those people.

  19. Experimental evaluation and basis function optimization of the spatially variant image-space PSF on the Ingenuity PET/MR scanner

    International Nuclear Information System (INIS)

    Kotasidis, Fotis A.; Zaidi, Habib

    2014-01-01

    Purpose: The Ingenuity time-of-flight (TF) PET/MR is a recently developed hybrid scanner combining the molecular imaging capabilities of PET with the excellent soft tissue contrast of MRI. It is becoming common practice to characterize the system's point spread function (PSF) and understand its variation under spatial transformations to guide clinical studies and potentially use it within resolution recovery image reconstruction algorithms. Furthermore, due to the system's utilization of overlapping and spherical symmetric Kaiser-Bessel basis functions during image reconstruction, its image space PSF and reconstructed spatial resolution could be affected by the selection of the basis function parameters. Hence, a detailed investigation into the multidimensional basis function parameter space is needed to evaluate the impact of these parameters on spatial resolution. Methods: Using an array of 12 × 7 printed point sources, along with a custom made phantom, and with the MR magnet on, the system's spatially variant image-based PSF was characterized in detail. Moreover, basis function parameters were systematically varied during reconstruction (list-mode TF OSEM) to evaluate their impact on the reconstructed resolution and the image space PSF. Following the spatial resolution optimization, phantom, and clinical studies were subsequently reconstructed using representative basis function parameters. Results: Based on the analysis and under standard basis function parameters, the axial and tangential components of the PSF were found to be almost invariant under spatial transformations (∼4 mm) while the radial component varied modestly from 4 to 6.7 mm. Using a systematic investigation into the basis function parameter space, the spatial resolution was found to degrade for basis functions with a large radius and small shape parameter. However, it was found that optimizing the spatial resolution in the reconstructed PET images, while having a good basis function

  20. Automated cross-modal mapping in robotic eye/hand systems using plastic radial basis function networks

    Science.gov (United States)

    Meng, Qinggang; Lee, M. H.

    2007-03-01

    Advanced autonomous artificial systems will need incremental learning and adaptive abilities similar to those seen in humans. Knowledge from biology, psychology and neuroscience is now inspiring new approaches for systems that have sensory-motor capabilities and operate in complex environments. Eye/hand coordination is an important cross-modal cognitive function, and is also typical of many of the other coordinations that must be involved in the control and operation of embodied intelligent systems. This paper examines a biologically inspired approach for incrementally constructing compact mapping networks for eye/hand coordination. We present a simplified node-decoupled extended Kalman filter for radial basis function networks, and compare this with other learning algorithms. An experimental system consisting of a robot arm and a pan-and-tilt head with a colour camera is used to produce results and test the algorithms in this paper. We also present three approaches for adapting to structural changes during eye/hand coordination tasks, and the robustness of the algorithms under noise are investigated. The learning and adaptation approaches in this paper have similarities with current ideas about neural growth in the brains of humans and animals during tool-use, and infants during early cognitive development.

  1. The neural basis of love as a subliminal prime: an event-related functional magnetic resonance imaging study.

    Science.gov (United States)

    Ortigue, S; Bianchi-Demicheli, F; Hamilton, A F de C; Grafton, S T

    2007-07-01

    Throughout the ages, love has been defined as a motivated and goal-directed mechanism with explicit and implicit mechanisms. Recent evidence demonstrated that the explicit representation of love recruits subcorticocortical pathways mediating reward, emotion, and motivation systems. However, the neural basis of the implicit (unconscious) representation of love remains unknown. To assess this question, we combined event-related functional magnetic resonance imaging (fMRI) with a behavioral subliminal priming paradigm embedded in a lexical decision task. In this task, the name of either a beloved partner, a neutral friend, or a passionate hobby was subliminally presented before a target stimulus (word, nonword, or blank), and participants were required to decide if the target was a word or not. Behavioral results showed that subliminal presentation of either a beloved's name (love prime) or a passion descriptor (passion prime) enhanced reaction times in a similar fashion. Subliminal presentation of a friend's name (friend prime) did not show any beneficial effects. Functional results showed that subliminal priming with a beloved's name (as opposed to either a friend's name or a passion descriptor) specifically recruited brain areas involved in abstract representations of others and the self, in addition to motivation circuits shared with other sources of passion. More precisely, love primes recruited the fusiform and angular gyri. Our findings suggest that love, as a subliminal prime, involves a specific neural network that surpasses a dopaminergic-motivation system.

  2. Constrained optimization by radial basis function interpolation for high-dimensional expensive black-box problems with infeasible initial points

    Science.gov (United States)

    Regis, Rommel G.

    2014-02-01

    This article develops two new algorithms for constrained expensive black-box optimization that use radial basis function surrogates for the objective and constraint functions. These algorithms are called COBRA and Extended ConstrLMSRBF and, unlike previous surrogate-based approaches, they can be used for high-dimensional problems where all initial points are infeasible. They both follow a two-phase approach where the first phase finds a feasible point while the second phase improves this feasible point. COBRA and Extended ConstrLMSRBF are compared with alternative methods on 20 test problems and on the MOPTA08 benchmark automotive problem (D.R. Jones, Presented at MOPTA 2008), which has 124 decision variables and 68 black-box inequality constraints. The alternatives include a sequential penalty derivative-free algorithm, a direct search method with kriging surrogates, and two multistart methods. Numerical results show that COBRA algorithms are competitive with Extended ConstrLMSRBF and they generally outperform the alternatives on the MOPTA08 problem and most of the test problems.

  3. Design of cognitive engine for cognitive radio based on the rough sets and radial basis function neural network

    Science.gov (United States)

    Yang, Yanchao; Jiang, Hong; Liu, Congbin; Lan, Zhongli

    2013-03-01

    Cognitive radio (CR) is an intelligent wireless communication system which can dynamically adjust the parameters to improve system performance depending on the environmental change and quality of service. The core technology for CR is the design of cognitive engine, which introduces reasoning and learning methods in the field of artificial intelligence, to achieve the perception, adaptation and learning capability. Considering the dynamical wireless environment and demands, this paper proposes a design of cognitive engine based on the rough sets (RS) and radial basis function neural network (RBF_NN). The method uses experienced knowledge and environment information processed by RS module to train the RBF_NN, and then the learning model is used to reconfigure communication parameters to allocate resources rationally and improve system performance. After training learning model, the performance is evaluated according to two benchmark functions. The simulation results demonstrate the effectiveness of the model and the proposed cognitive engine can effectively achieve the goal of learning and reconfiguration in cognitive radio.

  4. Functional mapping of the neural basis for the encoding and retrieval of human episodic memory using H215O PET

    International Nuclear Information System (INIS)

    Lee, Jae Sung; Nam, Hyun Woo; Lee, Dong Soo; Lee, Sang Kun; Jang, Myoung Jin; Ahn, Ji Young; Park, Kwang Suk; Chung, June Key; Lee, Myung Chul

    2000-01-01

    Episodic memory is described as an 'autobiographical' memory responsible for storing a record of the events in our lives. We performed functional brain activation study using H 2 1 5O PET to reveal the neural basis of the encoding and the retrieval of episodic memory in human normal volunteers. Four repeated H 2 1 5O PET scans with two reference and two activation tasks were performed on 6 normal volunteers to activate brain areas engaged in encoding and retrieval with verbal materials. Images from the same subject were spatially registered and normalized using linear and nonlinear transformation. Using the means and variances for every condition which were adjusted with analysis of covariance, t-statistic analysis were performed voxel-wise. Encoding of episodic memory activated the opercular and triangular parts of left inferior frontal gyrus, right prefrontal cortex, medial frontal area, cingulate gyrus, posterior middle and inferior temporal gyri, and cerebellum, and both primary visual and visual association areas. Retrieval of episodic memory activated the triangular part of left inferior frontal gyrus and inferior temporal gyrus, right prefrontal cortex and medial temporal ares, and both cerebellum and primary visual and visual association areas. The activations in the opercular part of left inferior frontal gyrus and the right prefrontal cortex meant the essential role of these areas in the encoding and retrieval of episodic memeory. We could localize the neural basis of the encoding and retrieval of episodic memory using H 2 1 5O PET, which was partly consistent with the hypothesis of hemispheric encoding/retrieval asymmetry.=20

  5. Internal emitter dosimetry: are patient-specific calculations necessary?

    International Nuclear Information System (INIS)

    Sgouros, G.

    1996-01-01

    Full text: The question of whether patient-specific calculations are needed in internal emitter dosimetry arises when radionuclides are used for therapy. In diagnostic procedures the absorbed dose delivered to normal tissue is far below hazardous levels. In internal emitter therapy, the need for patient-specific dosimetry may arise if a large variability in biodistribution, normal tissue toxicity or efficacy is anticipated. Patient-specificity may be accomplished at the level of pharmacokinetics, anatomy/tumor-geometry or both. At the first level, information regarding the biodistribution of a particular radiolabeled agent is obtained and used to determine the maximum activity that may be administered for treatment. The classical example of this is radioiodine therapy for thyroid cancer. In radioiodine therapy, the therapy dose is preceded by a tracer dose of I-131-iodide which is used to measure patient kinetics by imaging and whole-body counting. Absorbed dose estimates obtained from these data are used to constrain the therapy dose to meet safety criteria established in a previously performed dose-response study. The most ambitious approach to patient-specific dosimetry, requires a three-dimensional set of images representing radionuclide distribution (SPECT or PET) and a corresponding set of registered images representing anatomy (CT or MRI). The spatial distribution of absorbed dose or dose-rate may then be obtained by convolution of a point-kernel with the radioactivity distribution or by Monte Carlo calculation. The spatial absorbed dose or dose-rate distribution may be represented as a set of images, as isodose contours, or as dose-volume histograms. The 3-D Monte Carlo approach is, in principle, the most patient-specific; it accounts for patient anatomy and tumor geometry as well as for the spatial distribution of radioactivity. It is also, however, the most logistically and technically demanding. Patients are required to undergo CT or MRI and at least one

  6. Push it to the limit: Characterizing the convergence of common sequences of basis sets for intermolecular interactions as described by density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Witte, Jonathon [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Neaton, Jeffrey B. [Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Physics, University of California, Berkeley, California 94720 (United States); Kavli Energy Nanosciences Institute at Berkeley, Berkeley, California 94720 (United States); Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2016-05-21

    With the aim of systematically characterizing the convergence of common families of basis sets such that general recommendations for basis sets can be made, we have tested a wide variety of basis sets against complete-basis binding energies across the S22 set of intermolecular interactions—noncovalent interactions of small and medium-sized molecules consisting of first- and second-row atoms—with three distinct density functional approximations: SPW92, a form of local-density approximation; B3LYP, a global hybrid generalized gradient approximation; and B97M-V, a meta-generalized gradient approximation with nonlocal correlation. We have found that it is remarkably difficult to reach the basis set limit; for the methods and systems examined, the most complete basis is Jensen’s pc-4. The Dunning correlation-consistent sequence of basis sets converges slowly relative to the Jensen sequence. The Karlsruhe basis sets are quite cost effective, particularly when a correction for basis set superposition error is applied: counterpoise-corrected def2-SVPD binding energies are better than corresponding energies computed in comparably sized Dunning and Jensen bases, and on par with uncorrected results in basis sets 3-4 times larger. These trends are exhibited regardless of the level of density functional approximation employed. A sense of the magnitude of the intrinsic incompleteness error of each basis set not only provides a foundation for guiding basis set choice in future studies but also facilitates quantitative comparison of existing studies on similar types of systems.

  7. [Application of wavelet transform-radial basis function neural network in NIRS for determination of rifampicin and isoniazide tablets].

    Science.gov (United States)

    Lu, Jia-hui; Zhang, Yi-bo; Zhang, Zhuo-yong; Meng, Qing-fan; Guo, Wei-liang; Teng, Li-rong

    2008-06-01

    A calibration model (WT-RBFNN) combination of wavelet transform (WT) and radial basis function neural network (RBFNN) was proposed for synchronous and rapid determination of rifampicin and isoniazide in Rifampicin and Isoniazide tablets by near infrared reflectance spectroscopy (NIRS). The approximation coefficients were used for input data in RBFNN. The network parameters including the number of hidden layer neurons and spread constant (SC) were investigated. WT-RBFNN model which compressed the original spectra data, removed the noise and the interference of background, and reduced the randomness, the capabilities of prediction were well optimized. The root mean square errors of prediction (RMSEP) for the determination of rifampicin and isoniazide obtained from the optimum WT-RBFNN model are 0.00639 and 0.00587, and the root mean square errors of cross-calibration (RMSECV) for them are 0.00604 and 0.00457, respectively which are superior to those obtained by the optimum RBFNN and PLS models. Regression coefficient (R) between NIRS predicted values and RP-HPLC values for rifampicin and isoniazide are 0.99522 and 0.99392, respectively and the relative error is lower than 2.300%. It was verified that WT-RBFNN model is a suitable approach to dealing with NIRS. The proposed WT-RBFNN model is convenient, and rapid and with no pollution for the determination of rifampicin and isoniazide tablets.

  8. Comparative Application of Radial Basis Function and Multilayer Perceptron Neural Networks to Predict Traffic Noise Pollution in Tehran Roads

    Directory of Open Access Journals (Sweden)

    Ali Mansourkhaki

    2018-01-01

    Full Text Available Noise pollution is a level of environmental noise which is considered as a disturbing and annoying phenomenon for human and wildlife. It is one of the environmental problems which has not been considered as harmful as the air and water pollution. Compared with other pollutants, the attempts to control noise pollution have largely been unsuccessful due to the inadequate knowledge of its effectson humans, as well as the lack of clear standards in previous years. However, with an increase of traveling vehicles, the adverse impact of increasing noise pollution on human health is progressively emerging. Hence, investigators all around the world are seeking to findnew approaches for predicting, estimating and controlling this problem and various models have been proposed. Recently, developing learning algorithms such as neural network has led to novel solutions for this challenge. These algorithms provide intelligent performance based on the situations and input data, enabling to obtain the best result for predicting noise level. In this study, two types of neural networks – multilayer perceptron and radial basis function – were developed for predicting equivalent continuous sound level (LA eq by measuring the traffivolume, average speed and percentage of heavy vehicles in some roads in west and northwest of Tehran. Then, their prediction results were compared based on the coefficienof determination (R 2 and the Mean Squared Error (MSE. Although both networks are of high accuracy in prediction of noise level, multilayer perceptron neural network based on selected criteria had a better performance.

  9. Critical heat flux prediction by using radial basis function and multilayer perceptron neural networks: A comparison study

    International Nuclear Information System (INIS)

    Vaziri, Nima; Hojabri, Alireza; Erfani, Ali; Monsefi, Mehrdad; Nilforooshan, Behnam

    2007-01-01

    Critical heat flux (CHF) is an important parameter for the design of nuclear reactors. Although many experimental and theoretical researches have been performed, there is not a single correlation to predict CHF because it is influenced by many parameters. These parameters are based on fixed inlet, local and fixed outlet conditions. Artificial neural networks (ANNs) have been applied to a wide variety of different areas such as prediction, approximation, modeling and classification. In this study, two types of neural networks, radial basis function (RBF) and multilayer perceptron (MLP), are trained with the experimental CHF data and their performances are compared. RBF predicts CHF with root mean square (RMS) errors of 0.24%, 7.9%, 0.16% and MLP predicts CHF with RMS errors of 1.29%, 8.31% and 2.71%, in fixed inlet conditions, local conditions and fixed outlet conditions, respectively. The results show that neural networks with RBF structure have superior performance in CHF data prediction over MLP neural networks. The parametric trends of CHF obtained by the trained ANNs are also evaluated and results reported

  10. Application of radial basis function in densitometry of stratified regime of liquid-gas two phase flows

    International Nuclear Information System (INIS)

    Roshani, G.H.; Nazemi, E.; Roshani, M.M.

    2017-01-01

    In this paper, a novel method is proposed for predicting the density of liquid phase in stratified regime of liquid-gas two phase flows by utilizing dual modality densitometry technique and artificial neural network (ANN) model of radial basis function (RBF). The detection system includes a 137 Cs radioactive source and two NaI(Tl) detectors for registering transmitted and scattered photons. At the first step, a Monte Carlo simulation model was utilized to obtain the optimum position for the scattering detector in dual modality densitometry configuration. At the next step, an experimental setup was designed based on obtained optimum position for detectors from simulation in order to generate the required data for training and testing the ANN. The results show that the proposed approach could be successfully applied for predicting the density of liquid phase in stratified regime of gas-liquid two phase flows with mean relative error (MRE) of less than 0.701. - Highlights: • Density of liquid phase in stratified regime of two phase flows was predicted. • Combination of dual modality densitometry technique and ANN was utilized. • Detection system includes a 137 Cs radioactive source and two NaI(Tl) detectors. • MCNP simulation was done to obtain the optimum position for the scattering detector. • An experimental setup was designed to generate the required data for training the ANN.

  11. Optimization of vehicle compartment low frequency noise based on Radial Basis Function Neuro-Network Approximation Model

    Directory of Open Access Journals (Sweden)

    HU Qi-guo

    2017-01-01

    Full Text Available For reducing the vehicle compartment low frequency noise, the Optimal Latin hypercube sampling method was applied to perform experimental design for sampling in the factorial design space. The thickness parameters of the panels with larger acoustic contribution was considered as factors, as well as the vehicle mass, seventh rank modal frequency of body, peak sound pressure of test point and sound pressure root-mean-square value as responses. By using the RBF(radial basis function neuro-network method, an approximation model of four responses about six factors was established. Further more, error analysis of established approximation model was performed in this paper. To optimize the panel’s thickness parameter, the adaptive simulated annealing algorithm was im-plemented. Optimization results show that the peak sound pressure of driver’s head was reduced by 4.45dB and 5.47dB at frequency 158HZ and 134Hz respec-tively. The test point pressure were significantly reduced at other frequency as well. The results indicate that through the optimization the vehicle interior cavity noise was reduced effectively, and the acoustical comfort of the vehicle was im-proved significantly.

  12. Nonlinear Control of an Active Magnetic Bearing System Achieved Using a Fuzzy Control with Radial Basis Function Neural Network

    Directory of Open Access Journals (Sweden)

    Seng-Chi Chen

    2014-01-01

    Full Text Available Studies on active magnetic bearing (AMB systems are increasing in popularity and practical applications. Magnetic bearings cause less noise, friction, and vibration than the conventional mechanical bearings; however, the control of AMB systems requires further investigation. The magnetic force has a highly nonlinear relation to the control current and the air gap. This paper proposes an intelligent control method for positioning an AMB system that uses a neural fuzzy controller (NFC. The mathematical model of an AMB system comprises identification followed by collection of information from this system. A fuzzy logic controller (FLC, the parameters of which are adjusted using a radial basis function neural network (RBFNN, is applied to the unbalanced vibration in an AMB system. The AMB system exhibited a satisfactory control performance, with low overshoot, and produced improved transient and steady-state responses under various operating conditions. The NFC has been verified on a prototype AMB system. The proposed controller can be feasibly applied to AMB systems exposed to various external disturbances; demonstrating the effectiveness of the NFC with self-learning and self-improving capacities is proven.

  13. Automated radial basis function neural network based image classification system for diabetic retinopathy detection in retinal images

    Science.gov (United States)

    Anitha, J.; Vijila, C. Kezi Selva; Hemanth, D. Jude

    2010-02-01

    Diabetic retinopathy (DR) is a chronic eye disease for which early detection is highly essential to avoid any fatal results. Image processing of retinal images emerge as a feasible tool for this early diagnosis. Digital image processing techniques involve image classification which is a significant technique to detect the abnormality in the eye. Various automated classification systems have been developed in the recent years but most of them lack high classification accuracy. Artificial neural networks are the widely preferred artificial intelligence technique since it yields superior results in terms of classification accuracy. In this work, Radial Basis function (RBF) neural network based bi-level classification system is proposed to differentiate abnormal DR Images and normal retinal images. The results are analyzed in terms of classification accuracy, sensitivity and specificity. A comparative analysis is performed with the results of the probabilistic classifier namely Bayesian classifier to show the superior nature of neural classifier. Experimental results show promising results for the neural classifier in terms of the performance measures.

  14. Intelligent Control of Welding Gun Pose for Pipeline Welding Robot Based on Improved Radial Basis Function Network and Expert System

    Directory of Open Access Journals (Sweden)

    Jingwen Tian

    2013-02-01

    Full Text Available Since the control system of the welding gun pose in whole-position welding is complicated and nonlinear, an intelligent control system of welding gun pose for a pipeline welding robot based on an improved radial basis function neural network (IRBFNN and expert system (ES is presented in this paper. The structure of the IRBFNN is constructed and the improved genetic algorithm is adopted to optimize the network structure. This control system makes full use of the characteristics of the IRBFNN and the ES. The ADXRS300 micro-mechanical gyro is used as the welding gun position sensor in this system. When the welding gun position is obtained, an appropriate pitch angle can be obtained through expert knowledge and the numeric reasoning capacity of the IRBFNN. ARM is used as the controller to drive the welding gun pitch angle step motor in order to adjust the pitch angle of the welding gun in real-time. The experiment results show that the intelligent control system of the welding gun pose using the IRBFNN and expert system is feasible and it enhances the welding quality. This system has wide prospects for application.

  15. Modeling of Tsunami Equations and Atmospheric Swirling Flows with a Graphics Processing Unit (GPU) and Radial Basis Functions (RBF)

    Science.gov (United States)

    Schmidt, J.; Piret, C.; Zhang, N.; Kadlec, B. J.; Liu, Y.; Yuen, D. A.; Wright, G. B.; Sevre, E. O.

    2008-12-01

    The faster growth curves in the speed of GPUs relative to CPUs in recent years and its rapidly gained popularity has spawned a new area of development in computational technology. There is much potential in utilizing GPUs for solving evolutionary partial differential equations and producing the attendant visualization. We are concerned with modeling tsunami waves, where computational time is of extreme essence, for broadcasting warnings. In order to test the efficacy of the GPU on the set of shallow-water equations, we employed the NVIDIA board 8600M GT on a MacBook Pro. We have compared the relative speeds between the CPU and the GPU on a single processor for two types of spatial discretization based on second-order finite-differences and radial basis functions. RBFs are a more novel method based on a gridless and a multi- scale, adaptive framework. Using the NVIDIA 8600M GT, we received a speed up factor of 8 in favor of GPU for the finite-difference method and a factor of 7 for the RBF scheme. We have also studied the atmospheric dynamics problem of swirling flows over a spherical surface and found a speed-up of 5.3 using the GPU. The time steps employed for the RBF method are larger than those used in finite-differences, because of the much fewer number of nodal points needed by RBF. Thus, in modeling the same physical time, RBF acting in concert with GPU would be the fastest way to go.

  16. Wavelets as basis functions in electronic structure calculations; Les ondelettes comme fonction de base dans le calcul de structures electroniques

    Energy Technology Data Exchange (ETDEWEB)

    Chauvin, C

    2005-11-15

    This thesis is devoted to the definition and the implementation of a multi-resolution method to determine the fundamental state of a system composed of nuclei and electrons. In this work, we are interested in the Density Functional Theory (DFT), which allows to express the Hamiltonian operator with the electronic density only, by a Coulomb potential and a non-linear potential. This operator acts on orbitals, which are solutions of the so-called Kohn-Sham equations. Their resolution needs to express orbitals and density on a set of functions owing both physical and numerical properties, as explained in the second chapter. One can hardly satisfy these two properties simultaneously, that is why we are interested in orthogonal and bi-orthogonal wavelets basis, whose properties of interpolation are presented in the third chapter. We present in the fourth chapter three dimensional solvers for the Coulomb's potential, using not only the preconditioning property of wavelets, but also a multigrid algorithm. Determining this potential allows us to solve the self-consistent Kohn-Sham equations, by an algorithm presented in chapter five. The originality of our method consists in the construction of the stiffness matrix, combining a Galerkin formulation and a collocation scheme. We analyse the approximation properties of this method in case of linear Hamiltonian, such as harmonic oscillator and hydrogen, and present convergence results of the DFT for small electrons. Finally we show how orbital compression reduces considerably the number of coefficients to keep, while preserving a good accuracy of the fundamental energy. (author)

  17. Independence of protein kinase C-delta activity from activation loop phosphorylation: structural basis and altered functions in cells.

    Science.gov (United States)

    Liu, Yin; Belkina, Natalya V; Graham, Caroline; Shaw, Stephen

    2006-04-28

    Activation loop phosphorylation plays critical regulatory roles for many kinases. Unlike other protein kinase Cs (PKC), PKC-delta does not require phosphorylation of its activation loop (Thr-507) for in vitro activity. We investigated the structural basis for this unusual capacity and its relevance to PKC-delta function in intact cells. Mutational analysis demonstrated that activity without Thr-507 phosphorylation depends on 20 residues N-terminal to the kinase domain and a pair of phenylalanines (Phe-500/Phe-527) unique to PKC-delta in/near the activation loop. Molecular modeling demonstrated that these elements stabilize the activation loop by forming a hydrophobic chain of interactions from the C-lobe to activation loop to N-terminal (helical) extension. In cells PKC-delta mediates both apoptosis and transcription regulation. We found that the T507A mutant of the PKC-delta kinase domain resembled the corresponding wild type in mediating apoptosis in transfected HEK293T cells. But the T507A mutant was completely defective in AP-1 and NF-kappaB reporter assays. A novel assay in which the kinase domain of PKC-delta and its substrate (a fusion protein of PKC substrate peptide with green fluorescent protein) were co-targeted to lipid rafts revealed a major substrate-selective defect of the T507A mutant in phosphorylating the substrate in cells. In vitro analysis showed strong product inhibition on the T507A mutant with particular substrates whose characteristics suggest it contributes to the substrate selective defect of the PKC-delta T507A mutant in cells. Thus, activation loop phosphorylation of PKC-delta may regulate its function in cells in a novel way.

  18. Quantitative analysis of patient-specific dosimetric IMRT verification

    International Nuclear Information System (INIS)

    Budgell, G J; Perrin, B A; Mott, J H L; Fairfoul, J; Mackay, R I

    2005-01-01

    Patient-specific dosimetric verification methods for IMRT treatments are variable, time-consuming and frequently qualitative, preventing evidence-based reduction in the amount of verification performed. This paper addresses some of these issues by applying a quantitative analysis parameter to the dosimetric verification procedure. Film measurements in different planes were acquired for a series of ten IMRT prostate patients, analysed using the quantitative parameter, and compared to determine the most suitable verification plane. Film and ion chamber verification results for 61 patients were analysed to determine long-term accuracy, reproducibility and stability of the planning and delivery system. The reproducibility of the measurement and analysis system was also studied. The results show that verification results are strongly dependent on the plane chosen, with the coronal plane particularly insensitive to delivery error. Unexpectedly, no correlation could be found between the levels of error in different verification planes. Longer term verification results showed consistent patterns which suggest that the amount of patient-specific verification can be safely reduced, provided proper caution is exercised: an evidence-based model for such reduction is proposed. It is concluded that dose/distance to agreement (e.g., 3%/3 mm) should be used as a criterion of acceptability. Quantitative parameters calculated for a given criterion of acceptability should be adopted in conjunction with displays that show where discrepancies occur. Planning and delivery systems which cannot meet the required standards of accuracy, reproducibility and stability to reduce verification will not be accepted by the radiotherapy community

  19. Structural basis for type VI secreted peptidoglycan dl-endopeptidase function, specificity and neutralization in Serratia marcescens

    Energy Technology Data Exchange (ETDEWEB)

    Srikannathasan, Velupillai; English, Grant [University of Dundee, Dundee DD1 5EH, Scotland (United Kingdom); Bui, Nhat Khai [Newcastle University, Newcastle upon Tyne NE2 4HH (United Kingdom); Trunk, Katharina; O’Rourke, Patrick E. F.; Rao, Vincenzo A. [University of Dundee, Dundee DD1 5EH, Scotland (United Kingdom); Vollmer, Waldemar [Newcastle University, Newcastle upon Tyne NE2 4HH (United Kingdom); Coulthurst, Sarah J., E-mail: s.j.coulthurst@dundee.ac.uk; Hunter, William N., E-mail: s.j.coulthurst@dundee.ac.uk [University of Dundee, Dundee DD1 5EH, Scotland (United Kingdom)

    2013-12-01

    Crystal structures of type VI secretion system-associated immunity proteins, a peptidoglycan endopeptidase and a complex of the endopeptidase and its cognate immunity protein are reported together with assays of endopeptidase activity and functional assessment. Some Gram-negative bacteria target their competitors by exploiting the type VI secretion system to extrude toxic effector proteins. To prevent self-harm, these bacteria also produce highly specific immunity proteins that neutralize these antagonistic effectors. Here, the peptidoglycan endopeptidase specificity of two type VI secretion-system-associated effectors from Serratia marcescens is characterized. These small secreted proteins, Ssp1 and Ssp2, cleave between γ-d-glutamic acid and l-meso-diaminopimelic acid with different specificities. Ssp2 degrades the acceptor part of cross-linked tetratetrapeptides. Ssp1 displays greater promiscuity and cleaves monomeric tripeptides, tetrapeptides and pentapeptides and dimeric tetratetra and tetrapenta muropeptides on both the acceptor and donor strands. Functional assays confirm the identity of a catalytic cysteine in these endopeptidases and crystal structures provide information on the structure–activity relationships of Ssp1 and, by comparison, of related effectors. Functional assays also reveal that neutralization of these effectors by their cognate immunity proteins, which are called resistance-associated proteins (Raps), contributes an essential role to cell fitness. The structures of two immunity proteins, Rap1a and Rap2a, responsible for the neutralization of Ssp1 and Ssp2-like endopeptidases, respectively, revealed two distinct folds, with that of Rap1a not having previously been observed. The structure of the Ssp1–Rap1a complex revealed a tightly bound heteromeric assembly with two effector molecules flanking a Rap1a dimer. A highly effective steric block of the Ssp1 active site forms the basis of effector neutralization. Comparisons with Ssp2–Rap2

  20. Structural basis for type VI secreted peptidoglycan dl-endopeptidase function, specificity and neutralization in Serratia marcescens

    International Nuclear Information System (INIS)

    Srikannathasan, Velupillai; English, Grant; Bui, Nhat Khai; Trunk, Katharina; O’Rourke, Patrick E. F.; Rao, Vincenzo A.; Vollmer, Waldemar; Coulthurst, Sarah J.; Hunter, William N.

    2013-01-01

    Crystal structures of type VI secretion system-associated immunity proteins, a peptidoglycan endopeptidase and a complex of the endopeptidase and its cognate immunity protein are reported together with assays of endopeptidase activity and functional assessment. Some Gram-negative bacteria target their competitors by exploiting the type VI secretion system to extrude toxic effector proteins. To prevent self-harm, these bacteria also produce highly specific immunity proteins that neutralize these antagonistic effectors. Here, the peptidoglycan endopeptidase specificity of two type VI secretion-system-associated effectors from Serratia marcescens is characterized. These small secreted proteins, Ssp1 and Ssp2, cleave between γ-d-glutamic acid and l-meso-diaminopimelic acid with different specificities. Ssp2 degrades the acceptor part of cross-linked tetratetrapeptides. Ssp1 displays greater promiscuity and cleaves monomeric tripeptides, tetrapeptides and pentapeptides and dimeric tetratetra and tetrapenta muropeptides on both the acceptor and donor strands. Functional assays confirm the identity of a catalytic cysteine in these endopeptidases and crystal structures provide information on the structure–activity relationships of Ssp1 and, by comparison, of related effectors. Functional assays also reveal that neutralization of these effectors by their cognate immunity proteins, which are called resistance-associated proteins (Raps), contributes an essential role to cell fitness. The structures of two immunity proteins, Rap1a and Rap2a, responsible for the neutralization of Ssp1 and Ssp2-like endopeptidases, respectively, revealed two distinct folds, with that of Rap1a not having previously been observed. The structure of the Ssp1–Rap1a complex revealed a tightly bound heteromeric assembly with two effector molecules flanking a Rap1a dimer. A highly effective steric block of the Ssp1 active site forms the basis of effector neutralization. Comparisons with Ssp2–Rap2

  1. Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Gaigong [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Lin, Lin, E-mail: linlin@math.berkeley.edu [Department of Mathematics, University of California, Berkeley, Berkeley, CA 94720 (United States); Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Hu, Wei, E-mail: whu@lbl.gov [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Yang, Chao, E-mail: cyang@lbl.gov [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Pask, John E., E-mail: pask1@llnl.gov [Physics Division, Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States)

    2017-04-15

    Recently, we have proposed the adaptive local basis set for electronic structure calculations based on Kohn–Sham density functional theory in a pseudopotential framework. The adaptive local basis set is efficient and systematically improvable for total energy calculations. In this paper, we present the calculation of atomic forces, which can be used for a range of applications such as geometry optimization and molecular dynamics simulation. We demonstrate that, under mild assumptions, the computation of atomic forces can scale nearly linearly with the number of atoms in the system using the adaptive local basis set. We quantify the accuracy of the Hellmann–Feynman forces for a range of physical systems, benchmarked against converged planewave calculations, and find that the adaptive local basis set is efficient for both force and energy calculations, requiring at most a few tens of basis functions per atom to attain accuracies required in practice. Since the adaptive local basis set has implicit dependence on atomic positions, Pulay forces are in general nonzero. However, we find that the Pulay force is numerically small and systematically decreasing with increasing basis completeness, so that the Hellmann–Feynman force is sufficient for basis sizes of a few tens of basis functions per atom. We verify the accuracy of the computed forces in static calculations of quasi-1D and 3D disordered Si systems, vibration calculation of a quasi-1D Si system, and molecular dynamics calculations of H{sub 2} and liquid Al–Si alloy systems, where we show systematic convergence to benchmark planewave results and results from the literature.

  2. Relaxation of functions of STO-3G and 6-31G* basis sets in the series of isoelectronic to LiF molecule

    International Nuclear Information System (INIS)

    Ermakov, A.I.; Belousov, V.V.

    2007-01-01

    Relaxation effect of functions of the basis sets (BS) STO-3G and 6-31G* on their equilibration in the series of isoelectron molecules: LiF, BeO, BN and C 2 is considered. Values of parameters (exponential factor of basis functions, orbital exponents of Gauss primitives and coefficients of their grouping) of basis functions in molecules are discovered using the criterion of minimum of energy by the unlimited Hartree-Fock method calculations (UHF) with the help of direct optimization of parameters: the simplex-method and Rosenbrock method. Certain schemes of optimization differing by the amount of varying parameters have been done. Interaction of basis functions parameters of concerned sets through medium values of the Gauss exponents is established. Effects of relaxation on the change of full energy and relative errors of the calculations of interatomic distances, normal oscillations frequencies, dissociation energy and other properties of molecules are considered. Change of full energy during the relaxation of basis functions (RBF) STO-3G and 6-31G* amounts 1100 and 80 kJ/mol correspondingly, and it is in need of the account during estimation of energetic characteristics, especially for systems with high-polar chemical bonds. The relaxation BS STO-3G practically in all considered cases improves description of molecular properties, whereas the relaxation BS 6-31G* lightly effects on its equilibration [ru

  3. A hybrid radial basis function-pseudospectral method for thermal convection in a 3-D spherical shell

    KAUST Repository

    Wright, G. B.

    2010-07-01

    A novel hybrid spectral method that combines radial basis function (RBF) and Chebyshev pseudospectral methods in a "2 + 1" approach is presented for numerically simulating thermal convection in a 3-D spherical shell. This is the first study to apply RBFs to a full 3-D physical model in spherical geometry. In addition to being spectrally accurate, RBFs are not defined in terms of any surface-based coordinate system such as spherical coordinates. As a result, when used in the lateral directions, as in this study, they completely circumvent the pole issue with the further advantage that nodes can be "scattered" over the surface of a sphere. In the radial direction, Chebyshev polynomials are used, which are also spectrally accurate and provide the necessary clustering near the boundaries to resolve boundary layers. Applications of this new hybrid methodology are given to the problem of convection in the Earth\\'s mantle, which is modeled by a Boussinesq fluid at infinite Prandtl number. To see whether this numerical technique warrants further investigation, the study limits itself to an isoviscous mantle. Benchmark comparisons are presented with other currently used mantle convection codes for Rayleigh number (Ra) 7 × 103 and 105. Results from a Ra = 106 simulation are also given. The algorithmic simplicity of the code (mostly due to RBFs) allows it to be written in less than 400 lines of MATLAB and run on a single workstation. We find that our method is very competitive with those currently used in the literature. Copyright 2010 by the American Geophysical Union.

  4. Shared Action Spaces: a basis function framework for social re-calibration of sensorimotor representations supporting joint action

    Directory of Open Access Journals (Sweden)

    Giovanni ePezzulo

    2013-11-01

    Full Text Available The article explores the possibilities of formalizing and explaining the mechanisms that support spatial and social perspective alignment sustained over the duration of a social interaction. The basic proposed principle is that in social contexts the mechanisms for sensorimotor transformations and multisensory integration (learn to incorporate information relative to the other actor(s, similar to the "re-calibration" of visual receptive fields in response to repeated tool use. This process aligns or merges the co-actors' spatial representations and creates a "Shared Action Space" supporting key computations of social interactions and joint actions; for example, the remapping between the coordinate systems and frames of reference of the co-actors, including perspective taking, the sensorimotor transformations required for lifting jointly an object, and the predictions of the sensory effects of such joint action. The social re-calibration is proposed to be based on common basis function maps and could constitute an optimal solution to sensorimotor transformation and multisensory integration in joint action or more in general social interaction contexts. However, certain situations such as discrepant postural and viewpoint alignment and associated differences in perspectives between the co-actors could constrain the process quite differently. We discuss how alignment is achieved in the first place, and how it is maintained over time, providing a taxonomy of various forms and mechanisms of space alignment and overlap based, for instance, on automaticity vs. control of the transformations between the two agents. Finally, we discuss the link between low-level mechanisms for the sharing of space and high-level mechanisms for the sharing of cognitive representations.

  5. A novel method for flow pattern identification in unstable operational conditions using gamma ray and radial basis function

    International Nuclear Information System (INIS)

    Roshani, G.H.; Nazemi, E.; Roshani, M.M.

    2017-01-01

    Changes of fluid properties (especially density) strongly affect the performance of radiation-based multiphase flow meter and could cause error in recognizing the flow pattern and determining void fraction. In this work, we proposed a methodology based on combination of multi-beam gamma ray attenuation and dual modality densitometry techniques using RBF neural network in order to recognize the flow regime and determine the void fraction in gas-liquid two phase flows independent of the liquid phase changes. The proposed system is consisted of one 137 Cs source, two transmission detectors and one scattering detector. The registered counts in two transmission detectors were used as the inputs of one primary Radial Basis Function (RBF) neural network for recognizing the flow regime independent of liquid phase density. Then, after flow regime identification, three RBF neural networks were utilized for determining the void fraction independent of liquid phase density. Registered count in scattering detector and first transmission detector were used as the inputs of these three RBF neural networks. Using this simple methodology, all the flow patterns were correctly recognized and the void fraction was predicted independent of liquid phase density with mean relative error (MRE) of less than 3.28%. - Highlights: • Flow regime and void fraction were determined in two phase flows independent of the liquid phase density changes. • An experimental structure was set up and the required data was obtained. • 3 detectors and one gamma source were used in detection geometry. • RBF networks were utilized for flow regime and void fraction determination.

  6. Towards patient specific thermal modelling of the prostate

    International Nuclear Information System (INIS)

    Berg, Cornelis A T van den; Kamer, Jeroen B van de; Leeuw, Astrid A C ee; Jeukens, Cecile R L P N; Raaymakers, Bas W; Vulpen, Marco van; Lagendijk, Jan J W

    2006-01-01

    The application of thermal modelling for hyperthermia and thermal ablation is severely hampered by lack of information about perfusion and vasculature. However, recently, with the advent of sophisticated angiography and dynamic contrast enhanced (DCE) imaging techniques, it has become possible to image small vessels and blood perfusion bringing the ultimate goal of patient specific thermal modelling closer within reach. In this study dynamic contrast enhanced multi-slice CT imaging techniques are employed to investigate the feasibility of this concept for regional hyperthermia treatment of the prostate. The results are retrospectively compared with clinical thermometry data of a patient group from an earlier trial. Furthermore, the role of the prostate vasculature in the establishment of the prostate temperature distribution is studied. Quantitative 3D perfusion maps of the prostate were constructed for five patients using a distributed-parameter tracer kinetics model to analyse dynamic CT data. CT angiography was applied to construct a discrete vessel model of the pelvis. Additionally, a discrete vessel model of the prostate vasculature was constructed of a prostate taken from a human corpse. Three thermal modelling schemes with increasing inclusion of the patient specific physiological information were used to simulate the temperature distribution of the prostate during regional hyperthermia. Prostate perfusion was found to be heterogeneous and T3 prostate carcinomas are often characterized by a strongly elevated tumour perfusion (up to 70-80 ml 100 g -1 min -1 ). This elevated tumour perfusion leads to 1-2 deg. C lower tumour temperatures than thermal simulations based on a homogeneous prostate perfusion. Furthermore, the comparison has shown that the simulations with the measured perfusion maps result in consistently lower prostate temperatures than clinically achieved. The simulations with the discrete vessel model indicate that significant pre-heating takes

  7. Reliability of patient specific instrumentation in total knee arthroplasty.

    Science.gov (United States)

    Jennart, Harold; Ngo Yamben, Marie-Ange; Kyriakidis, Theofylaktos; Zorman, David

    2015-12-01

    The aim of this study was to compare the precision between Patient Specific Instrumentation (PSI) and Conventional Instrumentation (CI) as determined intra-operatively by a pinless navigation system. Eighty patients were included in this prospective comparative study and they were divided into two homogeneous groups. We defined an original score from 6 to 30 points to evaluate the accuracy of the position of the cutting guides. This score is based on 6 objective criteria. The analysis indicated that PSI was not superior to conventional instrumentation in the overall score (p = 0.949). Moreover, no statistically significant difference was observed for any individual criteria of our score. Level of evidence II.

  8. Segmenting CT prostate images using population and patient-specific statistics for radiotherapy

    International Nuclear Information System (INIS)

    Feng, Qianjin; Foskey, Mark; Chen Wufan; Shen Dinggang

    2010-01-01

    Purpose: In the segmentation of sequential treatment-time CT prostate images acquired in image-guided radiotherapy, accurately capturing the intrapatient variation of the patient under therapy is more important than capturing interpatient variation. However, using the traditional deformable-model-based segmentation methods, it is difficult to capture intrapatient variation when the number of samples from the same patient is limited. This article presents a new deformable model, designed specifically for segmenting sequential CT images of the prostate, which leverages both population and patient-specific statistics to accurately capture the intrapatient variation of the patient under therapy. Methods: The novelty of the proposed method is twofold: First, a weighted combination of gradient and probability distribution function (PDF) features is used to build the appearance model to guide model deformation. The strengths of each feature type are emphasized by dynamically adjusting the weight between the profile-based gradient features and the local-region-based PDF features during the optimization process. An additional novel aspect of the gradient-based features is that, to alleviate the effect of feature inconsistency in the regions of gas and bone adjacent to the prostate, the optimal profile length at each landmark is calculated by statistically investigating the intensity profile in the training set. The resulting gradient-PDF combined feature produces more accurate and robust segmentations than general gradient features. Second, an online learning mechanism is used to build shape and appearance statistics for accurately capturing intrapatient variation. Results: The performance of the proposed method was evaluated on 306 images of the 24 patients. Compared to traditional gradient features, the proposed gradient-PDF combination features brought 5.2% increment in the success ratio of segmentation (from 94.1% to 99.3%). To evaluate the effectiveness of online

  9. Segmenting CT prostate images using population and patient-specific statistics for radiotherapy

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Qianjin; Foskey, Mark; Chen Wufan; Shen Dinggang [Biomedical Engineering College, South Medical University, Guangzhou (China) and Department of Radiology, University of North Carolina, Chapel Hill, North Carolina 27510 (United States); Department of Radiation Oncology, University of North Carolina, Chapel Hill, North Carolina 27599 (United States); Biomedical Engineering College, South Medical University, Guangzhou 510510 (China); Department of Radiology, University of North Carolina, Chapel Hill, North Carolina 27510 (United States)

    2010-08-15

    Purpose: In the segmentation of sequential treatment-time CT prostate images acquired in image-guided radiotherapy, accurately capturing the intrapatient variation of the patient under therapy is more important than capturing interpatient variation. However, using the traditional deformable-model-based segmentation methods, it is difficult to capture intrapatient variation when the number of samples from the same patient is limited. This article presents a new deformable model, designed specifically for segmenting sequential CT images of the prostate, which leverages both population and patient-specific statistics to accurately capture the intrapatient variation of the patient under therapy. Methods: The novelty of the proposed method is twofold: First, a weighted combination of gradient and probability distribution function (PDF) features is used to build the appearance model to guide model deformation. The strengths of each feature type are emphasized by dynamically adjusting the weight between the profile-based gradient features and the local-region-based PDF features during the optimization process. An additional novel aspect of the gradient-based features is that, to alleviate the effect of feature inconsistency in the regions of gas and bone adjacent to the prostate, the optimal profile length at each landmark is calculated by statistically investigating the intensity profile in the training set. The resulting gradient-PDF combined feature produces more accurate and robust segmentations than general gradient features. Second, an online learning mechanism is used to build shape and appearance statistics for accurately capturing intrapatient variation. Results: The performance of the proposed method was evaluated on 306 images of the 24 patients. Compared to traditional gradient features, the proposed gradient-PDF combination features brought 5.2% increment in the success ratio of segmentation (from 94.1% to 99.3%). To evaluate the effectiveness of online

  10. Paired Pulse Basis Functions for the Method of Moments EFIE Solution of Electromagnetic Problems Involving Arbitrarily-shaped, Three-dimensional Dielectric Scatterers

    Science.gov (United States)

    MacKenzie, Anne I.; Rao, Sadasiva M.; Baginski, Michael E.

    2007-01-01

    A pair of basis functions is presented for the surface integral, method of moment solution of scattering by arbitrarily-shaped, three-dimensional dielectric bodies. Equivalent surface currents are represented by orthogonal unit pulse vectors in conjunction with triangular patch modeling. The electric field integral equation is employed with closed geometries for dielectric bodies; the method may also be applied to conductors. Radar cross section results are shown for dielectric bodies having canonical spherical, cylindrical, and cubic shapes. Pulse basis function results are compared to results by other methods.

  11. Performance assessment of density functional methods with Gaussian and Slater basis sets using 7σ orbital momentum distributions of N2O

    Science.gov (United States)

    Wang, Feng; Pang, Wenning; Duffy, Patrick

    2012-12-01

    Performance of a number of commonly used density functional methods in chemistry (B3LYP, Bhandh, BP86, PW91, VWN, LB94, PBe0, SAOP and X3LYP and the Hartree-Fock (HF) method) has been assessed using orbital momentum distributions of the 7σ orbital of nitrous oxide (NNO), which models electron behaviour in a chemically significant region. The density functional methods are combined with a number of Gaussian basis sets (Pople's 6-31G*, 6-311G**, DGauss TZVP and Dunning's aug-cc-pVTZ as well as even-tempered Slater basis sets, namely, et-DZPp, et-QZ3P, et-QZ+5P and et-pVQZ). Orbital momentum distributions of the 7σ orbital in the ground electronic state of NNO, which are obtained from a Fourier transform into momentum space from single point electronic calculations employing the above models, are compared with experimental measurement of the same orbital from electron momentum spectroscopy (EMS). The present study reveals information on performance of (a) the density functional methods, (b) Gaussian and Slater basis sets, (c) combinations of the density functional methods and basis sets, that is, the models, (d) orbital momentum distributions, rather than a group of specific molecular properties and (e) the entire region of chemical significance of the orbital. It is found that discrepancies of this orbital between the measured and the calculated occur in the small momentum region (i.e. large r region). In general, Slater basis sets achieve better overall performance than the Gaussian basis sets. Performance of the Gaussian basis sets varies noticeably when combining with different Vxc functionals, but Dunning's augcc-pVTZ basis set achieves the best performance for the momentum distributions of this orbital. The overall performance of the B3LYP and BP86 models is similar to newer models such as X3LYP and SAOP. The present study also demonstrates that the combinations of the density functional methods and the basis sets indeed make a difference in the quality of the

  12. Comparison of some dispersion-corrected and traditional functionals with CCSD(T) and MP2 ab initio methods: Dispersion, induction, and basis set superposition error

    Science.gov (United States)

    Roy, Dipankar; Marianski, Mateusz; Maitra, Neepa T.; Dannenberg, J. J.

    2012-10-01

    We compare dispersion and induction interactions for noble gas dimers and for Ne, methane, and 2-butyne with HF and LiF using a variety of functionals (including some specifically parameterized to evaluate dispersion interactions) with ab initio methods including CCSD(T) and MP2. We see that inductive interactions tend to enhance dispersion and may be accompanied by charge-transfer. We show that the functionals do not generally follow the expected trends in interaction energies, basis set superposition errors (BSSE), and interaction distances as a function of basis set size. The functionals parameterized to treat dispersion interactions often overestimate these interactions, sometimes by quite a lot, when compared to higher level calculations. Which functionals work best depends upon the examples chosen. The B3LYP and X3LYP functionals, which do not describe pure dispersion interactions, appear to describe dispersion mixed with induction about as accurately as those parametrized to treat dispersion. We observed significant differences in high-level wavefunction calculations in a basis set larger than those used to generate the structures in many of the databases. We discuss the implications for highly parameterized functionals based on these databases, as well as the use of simple potential energy for fitting the parameters rather than experimentally determinable thermodynamic state functions that involve consideration of vibrational states.

  13. Experimental evaluation and basis function optimization of the spatially variant image-space PSF on the Ingenuity PET/MR scanner

    Energy Technology Data Exchange (ETDEWEB)

    Kotasidis, Fotis A., E-mail: Fotis.Kotasidis@unige.ch [Division of Nuclear Medicine and Molecular Imaging, Geneva University Hospital, CH-1211 Geneva, Switzerland and Wolfson Molecular Imaging Centre, MAHSC, University of Manchester, Manchester M20 3LJ (United Kingdom); Zaidi, Habib [Division of Nuclear Medicine and Molecular Imaging, Geneva University Hospital, CH-1211 Geneva (Switzerland); Geneva Neuroscience Centre, Geneva University, CH-1205 Geneva (Switzerland); Department of Nuclear Medicine and Molecular Imaging, University of Groningen, University Medical Center Groningen, Groningen, 9700 RB (Netherlands)

    2014-06-15

    Purpose: The Ingenuity time-of-flight (TF) PET/MR is a recently developed hybrid scanner combining the molecular imaging capabilities of PET with the excellent soft tissue contrast of MRI. It is becoming common practice to characterize the system's point spread function (PSF) and understand its variation under spatial transformations to guide clinical studies and potentially use it within resolution recovery image reconstruction algorithms. Furthermore, due to the system's utilization of overlapping and spherical symmetric Kaiser-Bessel basis functions during image reconstruction, its image space PSF and reconstructed spatial resolution could be affected by the selection of the basis function parameters. Hence, a detailed investigation into the multidimensional basis function parameter space is needed to evaluate the impact of these parameters on spatial resolution. Methods: Using an array of 12 × 7 printed point sources, along with a custom made phantom, and with the MR magnet on, the system's spatially variant image-based PSF was characterized in detail. Moreover, basis function parameters were systematically varied during reconstruction (list-mode TF OSEM) to evaluate their impact on the reconstructed resolution and the image space PSF. Following the spatial resolution optimization, phantom, and clinical studies were subsequently reconstructed using representative basis function parameters. Results: Based on the analysis and under standard basis function parameters, the axial and tangential components of the PSF were found to be almost invariant under spatial transformations (∼4 mm) while the radial component varied modestly from 4 to 6.7 mm. Using a systematic investigation into the basis function parameter space, the spatial resolution was found to degrade for basis functions with a large radius and small shape parameter. However, it was found that optimizing the spatial resolution in the reconstructed PET images, while having a good basis

  14. Development of a patient-specific anatomical foot model from structured light scan data.

    Science.gov (United States)

    Lochner, Samuel J; Huissoon, Jan P; Bedi, Sanjeev S

    2014-01-01

    The use of anatomically accurate finite element (FE) models of the human foot in research studies has increased rapidly in recent years. Uses for FE foot models include advancing knowledge of orthotic design, shoe design, ankle-foot orthoses, pathomechanics, locomotion, plantar pressure, tissue mechanics, plantar fasciitis, joint stress and surgical interventions. Similar applications but for clinical use on a per-patient basis would also be on the rise if it were not for the high costs associated with developing patient-specific anatomical foot models. High costs arise primarily from the expense and challenges of acquiring anatomical data via magnetic resonance imaging (MRI) or computed tomography (CT) and reconstructing the three-dimensional models. The proposed solution morphs detailed anatomy from skin surface geometry and anatomical landmarks of a generic foot model (developed from CT or MRI) to surface geometry and anatomical landmarks acquired from an inexpensive structured light scan of a foot. The method yields a patient-specific anatomical foot model at a fraction of the cost of standard methods. Average error for bone surfaces was 2.53 mm for the six experiments completed. Highest accuracy occurred in the mid-foot and lowest in the forefoot due to the small, irregular bones of the toes. The method must be validated in the intended application to determine if the resulting errors are acceptable.

  15. [Use of Patient Specific Instruments at Total Knee Arthroplasty. One-Year Results of a Prospective Randomised Study].

    Science.gov (United States)

    Musil, D; Stehlík, J; Abrman, K; Held, M; Sadovský, P

    2016-01-01

    PURPOSE OF THE STUDY The aim of this prospective study was to evaluate, at one year of follow-up, radiographic and clinical results of total knee arthroplasty (TKA) performed with use of Zimmer® Patient Specific Instruments (PSIs) which allow for planning and customising each patient's TKA. MATERIAL AND METHODS Of the patients with knee arthritis who were eligible for joint replacement, 23 were randomly selected and included in this study. There were 11 men and 12 women, with 11 right and 12 left knee joints. On the basis of pre-operative CT scans, PSI custom-made pin guides, which conformed to the individual patient's anatomy, were produced and then used in the THA surgery involving a NexGen (CR) system. All patients were examined before surgery and at 1 year after THA. The evaluation at a follow-up visit included standing full-length radiographs (antero-posterior and lateral), Knee Score results, range of motion (ROM), patient's satisfaction report, and post-operative complications. The X-ray views were examined for mechanical leg axis alignment, TKA alignment in antero-posterior and lateral projection and signs of potential loosening. RESULTS At 1 post-operative year, the average Knee Society Score (KSS) was 85.5 points and the average functional score was 82.6 point. The satisfaction rate was 94% and, on a school rating system, the average mark was 1.3. The average postoperative ROM value was 116°. All patients were willing to undergo the surgery again. The only complication was thrombosis in one patient. Radiographic findings of knee alignment were optimal in 18, correct (up to 3° deviation) in three and incorrect (above 3° deviation) in two patients. Radiographic signs of loosening were not recorded. DISCUSSION Correct knee alignment is one of the requirements for achieving a good TKA outcome. Various techniques are used to improve the total knee process (computer-aided surgery, customised guides). Zimmer Patient Specific Instruments provide advanced pre

  16. Patient-specific dose estimation for pediatric chest CT

    Energy Technology Data Exchange (ETDEWEB)

    Li Xiang; Samei, Ehsan; Segars, W. Paul; Sturgeon, Gregory M.; Colsher, James G.; Frush, Donald P. [Medical Physics Graduate Program, Duke University, Durham, North Carolina 27705 and Department of Radiology, Duke Advanced Imaging Laboratories, Duke University Medical Center, Durham, North Carolina 27705 (United States); Medical Physics Graduate Program, Duke University, Durham, North Carolina 27705 (United States); Department of Radiology, Duke Advanced Imaging Laboratories, Duke University Medical Center, Durham, North Carolina 27705 (United States); Department of Physics, Duke University, Durham, North Carolina 27710 (United States); and Department of Biomedical Engineering, Duke University, Durham, North Carolina 27708 (United States); Medical Physics Graduate Program, Duke University, Durham, North Carolina 27705 and Department of Radiology, Duke Advanced Imaging Laboratories, Duke University Medical Center, Durham, North Carolina 27705 (United States); Department of Radiology, Duke Advanced Imaging Laboratories, Duke University Medical Center, Durham, North Carolina 27705 (United States); Medical Physics Graduate Program, Duke University, Durham, North Carolina 27705 and Global Applied Science Laboratory, GE Healthcare, Waukesha, Wisconsin 53188 (United States); Medical Physics Graduate Program, Duke University, Durham, North Carolina 27705 and Department of Radiology, Division of Pediatric Radiology, Duke University Medical Center, Durham North Carolina 27710 (United States)

    2008-12-15

    Current methods for organ and effective dose estimations in pediatric CT are largely patient generic. Physical phantoms and computer models have only been developed for standard/limited patient sizes at discrete ages (e.g., 0, 1, 5, 10, 15 years old) and do not reflect the variability of patient anatomy and body habitus within the same size/age group. In this investigation, full-body computer models of seven pediatric patients in the same size/protocol group (weight: 11.9-18.2 kg) were created based on the patients' actual multi-detector array CT (MDCT) data. Organs and structures in the scan coverage were individually segmented. Other organs and structures were created by morphing existing adult models (developed from visible human data) to match the framework defined by the segmented organs, referencing the organ volume and anthropometry data in ICRP Publication 89. Organ and effective dose of these patients from a chest MDCT scan protocol (64 slice LightSpeed VCT scanner, 120 kVp, 70 or 75 mA, 0.4 s gantry rotation period, pitch of 1.375, 20 mm beam collimation, and small body scan field-of-view) was calculated using a Monte Carlo program previously developed and validated to simulate radiation transport in the same CT system. The seven patients had normalized effective dose of 3.7-5.3 mSv/100 mAs (coefficient of variation: 10.8%). Normalized lung dose and heart dose were 10.4-12.6 mGy/100 mAs and 11.2-13.3 mGy/100 mAs, respectively. Organ dose variations across the patients were generally small for large organs in the scan coverage (<7%), but large for small organs in the scan coverage (9%-18%) and for partially or indirectly exposed organs (11%-77%). Normalized effective dose correlated weakly with body weight (correlation coefficient: r=-0.80). Normalized lung dose and heart dose correlated strongly with mid-chest equivalent diameter (lung: r=-0.99, heart: r=-0.93); these strong correlation relationships can be used to estimate patient-specific organ

  17. Using an EPID for patient-specific VMAT quality assurance

    International Nuclear Information System (INIS)

    Bakhtiari, M.; Kumaraswamy, L.; Bailey, D. W.; Boer, S. de; Malhotra, H. K.; Podgorsak, M. B.

    2011-01-01

    Purpose: A patient-specific quality assurance (QA) method was developed to verify gantry-specific individual multileaf collimator (MLC) apertures (control points) in volumetric modulated arc therapy (VMAT) plans using an electronic portal imaging device (EPID). Methods: VMAT treatment plans were generated in an Eclipse treatment planning system (TPS). DICOM images from a Varian EPID (aS1000) acquired in continuous acquisition mode were used for pretreatment QA. Each cine image file contains the grayscale image of the MLC aperture related to its specific control point and the corresponding gantry angle information. The TPS MLC file of this RapidArc plan contains the leaf positions for all 177 control points (gantry angles). In-house software was developed that interpolates the measured images based on the gantry angle and overlays them with the MLC pattern for all control points. The 38% isointensity line was used to define the edge of the MLC leaves on the portal images. The software generates graphs and tables that provide analysis for the number of mismatched leaf positions for a chosen distance to agreement at each control point and the frequency in which each particular leaf mismatches for the entire arc. Results: Seven patients plans were analyzed using this method. The leaves with the highest mismatched rate were found to be treatment plan dependent. Conclusions: This in-house software can be used to automatically verify the MLC leaf positions for all control points of VMAT plans using cine images acquired by an EPID.

  18. Additive manufacturing of patient-specific tubular continuum manipulators

    Science.gov (United States)

    Amanov, Ernar; Nguyen, Thien-Dang; Burgner-Kahrs, Jessica

    2015-03-01

    Tubular continuum robots, which are composed of multiple concentric, precurved, elastic tubes, provide more dexterity than traditional surgical instruments at the same diameter. The tubes can be precurved such that the resulting manipulator fulfills surgical task requirements. Up to now the only material used for the component tubes of those manipulators is NiTi, a super-elastic shape-memory alloy of nickel and titan. NiTi is a cost-intensive material and fabrication processes are complex, requiring (proprietary) technology, e.g. for shape setting. In this paper, we evaluate component tubes made of 3 different thermoplastic materials (PLA, PCL and nylon) using fused filament fabrication technology (3D printing). This enables quick and cost-effective production of custom, patient-specific continuum manipulators, produced on site on demand. Stress-strain and deformation characteristics are evaluated experimentally for 16 fabricated tubes of each thermoplastic with diameters and shapes equivalent to those of NiTi tubes. Tubes made of PCL and nylon exhibit properties comparable to those made of NiTi. We further demonstrate a tubular continuum manipulator composed of 3 nylon tubes in a transnasal, transsphenoidal skull base surgery scenario in vitro.

  19. Lithium photoionization cross-section and dynamic polarizability using square integrable basis sets and correlated wave functions

    International Nuclear Information System (INIS)

    Hollauer, E.; Nascimento, M.A.C.

    1985-01-01

    The photoionization cross-section and dynamic polarizability for lithium atom are calculated using a discrete basis set to represent both the bound and the continuum-states of the atom, to construct an approximation to the dynamic polarizability. From the imaginary part of the complex dynamic polarizability one extracts the photoionization cross-section and from its real part the dynamic polarizability. The results are in good agreement with the experiments and other more elaborate calculations (Author) [pt

  20. Respiratory gated radiotherapy-pretreatment patient specific quality assurance

    Directory of Open Access Journals (Sweden)

    Rajesh Thiyagarajan

    2016-01-01

    Full Text Available Organ motions during inter-fraction and intra-fraction radiotherapy introduce errors in dose delivery, irradiating excess of normal tissue, and missing target volume. Lung and heart involuntary motions cause above inaccuracies and gated dose delivery try to overcome above effects. Present work attempts a novel method to verify dynamic dose delivery using a four-dimensional (4D phantom. Three patients with mobile target are coached to maintain regular and reproducible breathing pattern. Appropriate intensity projection image set generated from 4D-computed tomography (4D-CT is used for target delineation. Intensity modulated radiotherapy plans were generated on selected phase using CT simulator (Siemens AG, Germany in conjunction with "Real-time position management" (Varian, USA to acquire 4D-CT images. Verification plans were generated for both ion chamber and Gafchromic (EBT film image sets. Gated verification plans were delivered on the phantom moving with patient respiratory pattern. We developed a MATLAB-based software to generate maximum intensity projection, minimum intensity projections, and average intensity projections, also a program to convert patient breathing pattern to phantom compatible format. Dynamic thorax quality assurance (QA phantom (Computerized Imaging Reference Systems type is used to perform the patient specific QA, which holds an ion chamber and film to measure delivered radiation intensity. Exposed EBT films are analyzed and compared with treatment planning system calculated dose. The ion chamber measured dose shows good agreement with planned dose within ± 0.5% (0.203 ± 0.57%. Gamma value evaluated from EBT film shows passing rates 92–99% (96.63 ± 3.84% for 3% dose and 3 mm distance criteria. Respiratory gated treatment delivery accuracy is found to be within clinically acceptable level.

  1. Patient-specific quality assurance for intracranial cases in robotic radiosurgery system.

    Science.gov (United States)

    Koksal, Canan; Akbas, Ugur; Donmez Kesen, Nazmiye; Okutan, Murat; Bilge, Hatice; Kemikler, Gonul

    2018-01-01

    The purpose of this study was to perform pretreatment patient-specific quality assurance (QA) for intracranial irradiation using CyberKnife with an ion chamber. Twenty-five intracranial plans created using the ray-tracing algorithm were used for this study. Computed tomography (CT) images of the water-equivalent RW3 slab phantom with PinPoint ionization chamber were acquired with 1-mm slice thickness and transferred to the MultiPlan treatment planning system (TPS). Four gold fiducial markers embedded into two different plates were used to tracking during the irradiation. Intracranial plans were transferred to CT images of the RW3 phantom. The isodose curves and sensitive volume of ion chamber were overlapped. Point dose measurements were performed three times and the mean point doses were calculated for each plan. The mean doses measured by the PinPoint ion chamber were compared with those of the calculated by MultiPlan TPS in the sensitive volume of PinPoint. The mean percentage difference (MPD) in point dose measurements was -2.44±1.97 for 25 plans. The maximum and minimum percentage differences between the measured and calculated absolute point doses were -7.14 and 0.23, respectively. The MPD was -1.70±1.90 for 12 plans using a fixed collimator and -3.11±1.86 for 13 plans using an IRIS cone. Point dose measurement is a reliable and functional method for pre-treatment patient-specific QA in intracranial CyberKnife plans. Point dose verification should be performed to correct any possible errors prior to patient treatment. It is recommended for use in patient-specific QA process in the CyberKnife plans.

  2. Development and Retrospective Clinical Assessment of a Patient-Specific Closed-Form Integro-Differential Equation Model of Plasma Dilution.

    Science.gov (United States)

    Atlas, Glen; Li, John K-J; Amin, Shawn; Hahn, Robert G

    2017-01-01

    A closed-form integro-differential equation (IDE) model of plasma dilution (PD) has been derived which represents both the intravenous (IV) infusion of crystalloid and the postinfusion period. Specifically, PD is mathematically represented using a combination of constant ratio, differential, and integral components. Furthermore, this model has successfully been applied to preexisting data, from a prior human study, in which crystalloid was infused for a period of 30 minutes at the beginning of thyroid surgery. Using Euler's formula and a Laplace transform solution to the IDE, patients could be divided into two distinct groups based on their response to PD during the infusion period. Explicitly, Group 1 patients had an infusion-based PD response which was modeled using an exponentially decaying hyperbolic sine function, whereas Group 2 patients had an infusion-based PD response which was modeled using an exponentially decaying trigonometric sine function. Both Group 1 and Group 2 patients had postinfusion PD responses which were modeled using the same combination of hyperbolic sine and hyperbolic cosine functions. Statistically significant differences, between Groups 1 and 2, were noted with respect to the area under their PD curves during both the infusion and postinfusion periods. Specifically, Group 2 patients exhibited a response to PD which was most likely consistent with a preoperative hypovolemia. Overall, this IDE model of PD appears to be highly "adaptable" and successfully fits clinically-obtained human data on a patient-specific basis, during both the infusion and postinfusion periods. In addition, patient-specific IDE modeling of PD may be a useful adjunct in perioperative fluid management and in assessing clinical volume kinetics, of crystalloid solutions, in real time.

  3. Patient-Specific Variations in Biomarkers across Gingivitis and Periodontitis

    Science.gov (United States)

    Nagarajan, Radhakrishnan; Miller, Craig S.; Dawson, Dolph; Al-Sabbagh, Mohanad; Ebersole, Jeffrey L.

    2015-01-01

    This study investigates the use of saliva, as an emerging diagnostic fluid in conjunction with classification techniques to discern biological heterogeneity in clinically labelled gingivitis and periodontitis subjects (80 subjects; 40/group) A battery of classification techniques were investigated as traditional single classifier systems as well as within a novel selective voting ensemble classification approach (SVA) framework. Unlike traditional single classifiers, SVA is shown to reveal patient-specific variations within disease groups, which may be important for identifying proclivity to disease progression or disease stability. Salivary expression profiles of IL-1ß, IL-6, MMP-8, and MIP-1α from 80 patients were analyzed using four classification algorithms (LDA: Linear Discriminant Analysis [LDA], Quadratic Discriminant Analysis [QDA], Naïve Bayes Classifier [NBC] and Support Vector Machines [SVM]) as traditional single classifiers and within the SVA framework (SVA-LDA, SVA-QDA, SVA-NB and SVA-SVM). Our findings demonstrate that performance measures (sensitivity, specificity and accuracy) of traditional classification as single classifier were comparable to that of the SVA counterparts using clinical labels of the samples as ground truth. However, unlike traditional single classifier approaches, the normalized ensemble vote-counts from SVA revealed varying proclivity of the subjects for each of the disease groups. More importantly, the SVA identified a subset of gingivitis and periodontitis samples that demonstrated a biological proclivity commensurate with the other clinical group. This subset was confirmed across SVA-LDA, SVA-QDA, SVA-NB and SVA-SVM. Heatmap visualization of their ensemble sets revealed lack of consensus between these subsets and the rest of the samples within the respective disease groups indicating the unique nature of the patients in these subsets. While the source of variation is not known, the results presented clearly elucidate the

  4. Adaptive grid generation in a patient-specific cerebral aneurysm

    Science.gov (United States)

    Hodis, Simona; Kallmes, David F.; Dragomir-Daescu, Dan

    2013-11-01

    computational time for patient-specific hemodynamics simulations, which are used to help assess the likelihood of aneurysm rupture using CFD calculated flow patterns.

  5. Calculating patient specific doses in X-ray diagnostics and from radiopharmaceuticals

    International Nuclear Information System (INIS)

    Lampinen, J.

    2000-01-01

    The risk associated with exposure to ionising radiation is dependent on the characteristics of the exposed individual. The size and structure of the individual influences the absorbed dose distribution in the organs. Traditional methods used to calculate the patient organ doses are based on standardised calculation phantoms, which neglect the variance of the patient size or even sex. When estimating the radiation dose of an individual patient, patient specific calculation methods must be used. Methods for patient specific dosimetry in the fields of X-ray diagnostics and diagnostic and therapeutic use of radiopharmaceuticals were proposed in this thesis. A computer program, ODS-60, for calculating organ doses from diagnostic X-ray exposures was presented. The calculation is done in a patient specific phantom with depth dose and profile algorithms fitted to Monte Carlo simulation data from a previous study. Improvements to the version reported earlier were introduced, e.g. bone attenuation was implemented. The applicability of the program to determine patient doses from complex X-ray examinations (barium enema examination) was studied. The conversion equations derived for female and male patients as a function of patient weight gave the smallest deviation from the actual patient doses when compared to previous studies. Another computer program, Intdose, was presented for calculation of the dose distribution from radiopharmaceuticals. The calculation is based on convolution of an isotope specific point dose kernel with activity distribution, obtained from single photon emission computed tomography (SPECT) images. Anatomical information is taken from magnetic resonance (MR) or computed tomography (CT) images. According to a phantom study, Intdose agreed within 3 % with measurements. For volunteers administered diagnostic radiopharmaceuticals, the results given by Intdose were found to agree with traditional methods in cases of medium sized patients. For patients

  6. MMCTP: a radiotherapy research environment for Monte Carlo and patient-specific treatment planning

    International Nuclear Information System (INIS)

    Alexander, A; DeBlois, F; Stroian, G; Al-Yahya, K; Heath, E; Seuntjens, J

    2007-01-01

    Radiotherapy research lacks a flexible computational research environment for Monte Carlo (MC) and patient-specific treatment planning. The purpose of this study was to develop a flexible software package on low-cost hardware with the aim of integrating new patient-specific treatment planning with MC dose calculations suitable for large-scale prospective and retrospective treatment planning studies. We designed the software package 'McGill Monte Carlo treatment planning' (MMCTP) for the research development of MC and patient-specific treatment planning. The MMCTP design consists of a graphical user interface (GUI), which runs on a simple workstation connected through standard secure-shell protocol to a cluster for lengthy MC calculations. Treatment planning information (e.g., images, structures, beam geometry properties and dose distributions) is converted into a convenient MMCTP local file storage format designated, the McGill RT format. MMCTP features include (a) DICOM R T, RTOG and CADPlan CART format imports; (b) 2D and 3D visualization views for images, structure contours, and dose distributions; (c) contouring tools; (d) DVH analysis, and dose matrix comparison tools; (e) external beam editing; (f) MC transport calculation from beam source to patient geometry for photon and electron beams. The MC input files, which are prepared from the beam geometry properties and patient information (e.g., images and structure contours), are uploaded and run on a cluster using shell commands controlled from the MMCTP GUI. The visualization, dose matrix operation and DVH tools offer extensive options for plan analysis and comparison between MC plans and plans imported from commercial treatment planning systems. The MMCTP GUI provides a flexible research platform for the development of patient-specific MC treatment planning for photon and electron external beam radiation therapy. The impact of this tool lies in the fact that it allows for systematic, platform

  7. A Structure-Function Study of RecA: The Structural Basis for ATP Specificity in the Strand Exchange Reaction

    Science.gov (United States)

    Gegner, Julie; Spruill, Natalie; Plesniak, Leigh A.

    1999-11-01

    The terms "structure" and "function" can assume a variety of meanings. In biochemistry, the "structure" of a protein can refer to its sequence of amino acids, the three-dimensional arrangement of atoms within a subunit, or the arrangement of subunits into a larger oligomeric or filamentous state. Likewise, the function of biological macromolecules can be examined at many levels. The function of a protein can be described by its role in an organism's survival or by a chemical reaction that it promotes. We have designed a three-part biochemical laboratory experiment that characterizes the structure and function of the Escherichia coli RecA protein. The first part examines the importance of RecA in the survival of bacteria that have been exposed to UV light. This is the broadest view of function of the enzyme. Second, the students use an in vitro assay of RecA whereby the protein promotes homologous recombination. Because RecA functions not catalytically, but rather stoichiometrically, in this recombination reaction, the oligomeric state of RecA in complex with DNA must also be discussed. Finally, through molecular modeling of X-ray crystallographic structures, students identify functionally important features of the ATP cofactor binding site of RecA.

  8. Excited state nuclear forces from the Tamm-Dancoff approximation to time-dependent density functional theory within the plane wave basis set framework

    Science.gov (United States)

    Hutter, Jürg

    2003-03-01

    An efficient formulation of time-dependent linear response density functional theory for the use within the plane wave basis set framework is presented. The method avoids the transformation of the Kohn-Sham matrix into the canonical basis and references virtual orbitals only through a projection operator. Using a Lagrangian formulation nuclear derivatives of excited state energies within the Tamm-Dancoff approximation are derived. The algorithms were implemented into a pseudo potential/plane wave code and applied to the calculation of adiabatic excitation energies, optimized geometries and vibrational frequencies of three low lying states of formaldehyde. An overall good agreement with other time-dependent density functional calculations, multireference configuration interaction calculations and experimental data was found.

  9. Pathway index models for construction of patient-specific risk profiles.

    Science.gov (United States)

    Eng, Kevin H; Wang, Sijian; Bradley, William H; Rader, Janet S; Kendziorski, Christina

    2013-04-30

    Statistical methods for variable selection, prediction, and classification have proven extremely useful in moving personalized genomics medicine forward, in particular, leading to a number of genomic-based assays now in clinical use for predicting cancer recurrence. Although invaluable in individual cases, the information provided by these assays is limited. Most often, a patient is classified into one of very few groups (e.g., recur or not), limiting the potential for truly personalized treatment. Furthermore, although these assays provide information on which individuals are at most risk (e.g., those for which recurrence is predicted), they provide no information on the aberrant biological pathways that give rise to the increased risk. We have developed an approach to address these limitations. The approach models a time-to-event outcome as a function of known biological pathways, identifies important genomic aberrations, and provides pathway-based patient-specific assessments of risk. As we demonstrate in a study of ovarian cancer from The Cancer Genome Atlas project, the patient-specific risk profiles are powerful and efficient characterizations useful in addressing a number of questions related to identifying informative patient subtypes and predicting survival. Copyright © 2012 John Wiley & Sons, Ltd.

  10. Just-in-time Design and Additive Manufacture of Patient-specific Medical Implants

    Science.gov (United States)

    Shidid, Darpan; Leary, Martin; Choong, Peter; Brandt, Milan

    Recent advances in medical imaging and manufacturing science have enabled the design and production of complex, patient-specific orthopaedic implants. Additive Manufacture (AM) generates three-dimensional structures layer by layer, and is not subject to the constraints associated with traditional manufacturing methods. AM provides significant opportunities for the design of novel geometries and complex lattice structures with enhanced functional performance. However, the design and manufacture of patient-specific AM implant structures requires unique expertise in handling various optimization platforms. Furthermore, the design process for complex structures is computationally intensive. The primary aim of this research is to enable the just-in-time customisation of AM prosthesis; whereby AM implant design and manufacture be completed within the time constraints of a single surgical procedure, while minimising prosthesis mass and optimising the lattice structure to match the stiffness of the surrounding bone tissue. In this research, a design approach using raw CT scan data is applied to the AM manufacture of femoral prosthesis. Using the proposed just-in-time concept, the mass of the prosthesis was rapidly designed and manufactured while satisfying the associated structural requirements. Compressive testing of lattice structures manufactured using proposed method shows that the load carrying capacity of the resected composite bone can be recovered by up to 85% and the compressive stiffness of the AM prosthesis is statistically indistinguishable from the stiffness of the initial bone.

  11. Automated segmentation and reconstruction of patient-specific cardiac anatomy and pathology from in vivo MRI

    International Nuclear Information System (INIS)

    Ringenberg, Jordan; Deo, Makarand; Devabhaktuni, Vijay; Filgueiras-Rama, David; Pizarro, Gonzalo; Ibañez, Borja; Berenfeld, Omer; Boyers, Pamela; Gold, Jeffrey

    2012-01-01

    This paper presents an automated method to segment left ventricle (LV) tissues from functional and delayed-enhancement (DE) cardiac magnetic resonance imaging (MRI) scans using a sequential multi-step approach. First, a region of interest (ROI) is computed to create a subvolume around the LV using morphological operations and image arithmetic. From the subvolume, the myocardial contours are automatically delineated using difference of Gaussians (DoG) filters and GSV snakes. These contours are used as a mask to identify pathological tissues, such as fibrosis or scar, within the DE-MRI. The presented automated technique is able to accurately delineate the myocardium and identify the pathological tissue in patient sets. The results were validated by two expert cardiologists, and in one set the automated results are quantitatively and qualitatively compared with expert manual delineation. Furthermore, the method is patient-specific, performed on an entire patient MRI series. Thus, in addition to providing a quick analysis of individual MRI scans, the fully automated segmentation method is used for effectively tagging regions in order to reconstruct computerized patient-specific 3D cardiac models. These models can then be used in electrophysiological studies and surgical strategy planning. (paper)

  12. An adaptive meshfree method for phase-field models of biomembranes. Part I: Approximation with maximum-entropy basis functions

    OpenAIRE

    Rosolen, A.; Peco, C.; Arroyo, M.

    2013-01-01

    We present an adaptive meshfree method to approximate phase-field models of biomembranes. In such models, the Helfrich curvature elastic energy, the surface area, and the enclosed volume of a vesicle are written as functionals of a continuous phase-field, which describes the interface in a smeared manner. Such functionals involve up to second-order spatial derivatives of the phase-field, leading to fourth-order Euler–Lagrange partial differential equations (PDE). The solutions develop sharp i...

  13. Towards Effective and Efficient Patient-Specific Quality Assurance for Spot Scanning Proton Therapy

    Directory of Open Access Journals (Sweden)

    X. Ronald. Zhu

    2015-04-01

    Full Text Available An intensity-modulated proton therapy (IMPT patient-specific quality assurance (PSQA program based on measurement alone can be very time consuming due to the highly modulated dose distributions of IMPT fields. Incorporating independent dose calculation and treatment log file analysis could reduce the time required for measurements. In this article, we summarize our effort to develop an efficient and effective PSQA program that consists of three components: measurements, independent dose calculation, and analysis of patient-specific treatment delivery log files. Measurements included two-dimensional (2D measurements using an ionization chamber array detector for each field delivered at the planned gantry angles with the electronic medical record (EMR system in the QA mode and the accelerator control system (ACS in the treatment mode, and additional measurements at depths for each field with the ACS in physics mode and without the EMR system. Dose distributions for each field in a water phantom were calculated independently using a recently developed in-house pencil beam algorithm and compared with those obtained using the treatment planning system (TPS. The treatment log file for each field was analyzed in terms of deviations in delivered spot positions from their planned positions using various statistical methods. Using this improved PSQA program, we were able to verify the integrity of the data transfer from the TPS to the EMR to the ACS, the dose calculation of the TPS, and the treatment delivery, including the dose delivered and spot positions. On the basis of this experience, we estimate that the in-room measurement time required for each complex IMPT case (e.g., a patient receiving bilateral IMPT for head and neck cancer is less than 1 h using the improved PSQA program. Our experience demonstrates that it is possible to develop an efficient and effective PSQA program for IMPT with the equipment and resources available in the clinic.

  14. Calculation of wave-functions with frozen orbitals in mixed quantum mechanics/molecular mechanics methods. II. Application of the local basis equation.

    Science.gov (United States)

    Ferenczy, György G

    2013-04-05

    The application of the local basis equation (Ferenczy and Adams, J. Chem. Phys. 2009, 130, 134108) in mixed quantum mechanics/molecular mechanics (QM/MM) and quantum mechanics/quantum mechanics (QM/QM) methods is investigated. This equation is suitable to derive local basis nonorthogonal orbitals that minimize the energy of the system and it exhibits good convergence properties in a self-consistent field solution. These features make the equation appropriate to be used in mixed QM/MM and QM/QM methods to optimize orbitals in the field of frozen localized orbitals connecting the subsystems. Calculations performed for several properties in divers systems show that the method is robust with various choices of the frozen orbitals and frontier atom properties. With appropriate basis set assignment, it gives results equivalent with those of a related approach [G. G. Ferenczy previous paper in this issue] using the Huzinaga equation. Thus, the local basis equation can be used in mixed QM/MM methods with small size quantum subsystems to calculate properties in good agreement with reference Hartree-Fock-Roothaan results. It is shown that bond charges are not necessary when the local basis equation is applied, although they are required for the self-consistent field solution of the Huzinaga equation based method. Conversely, the deformation of the wave-function near to the boundary is observed without bond charges and this has a significant effect on deprotonation energies but a less pronounced effect when the total charge of the system is conserved. The local basis equation can also be used to define a two layer quantum system with nonorthogonal localized orbitals surrounding the central delocalized quantum subsystem. Copyright © 2013 Wiley Periodicals, Inc.

  15. Patterns of patient specific dosimetry in total body irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Akino, Yuichi [Department of Radiation Oncology, Indiana University School of Medicine, Indianapolis, Indiana 46202 (United States); Department of Radiation Oncology, Osaka University Graduate School of Medicine, Suita, Osaka 565-0871 (Japan); McMullen, Kevin P.; Das, Indra J. [Department of Radiation Oncology, Indiana University School of Medicine, Indianapolis, Indiana 46202 (United States)

    2013-04-15

    Purpose: Total body irradiation (TBI) has been used for bone marrow transplant for hematologic and immune deficiency conditions. The goal of TBI is to deliver a homogeneous dose to the entire body, with a generally accepted range of dose uniformity being within {+-}10% of the prescribed dose. The moving table technique for TBI could make dose uniform in whole body by adjusting couch speed. However, it is difficult to accurately estimate the actual dose by calculation and hence in vivo dosimetry (IVD) is routinely performed. Here, the authors present patterns of patient-specific IVD in 161 TBI patients treated at our institution. Methods: Cobalt-60 teletherapy unit (Model C9 Cobalt-60 teletherapy unit, Picker X-ray Corporation) with customized moving bed (SITI Industrial Products, Inc., Fishers, IN) were used for TBI treatment. During treatment, OneDose{sup TM} (Sicel Technology, NC) Metal Oxide-silicon Semiconductor Field Effect Transistor detectors were placed at patient body surface; both entrance and exit side of the beam at patient head, neck, mediastinum, umbilicus, and knee to estimate midplane dose. When large differences (>10%) between the prescribed and measured dose were observed, dose delivery was corrected for subsequent fractions by the adjustment of couch speed and/or bolus placement. Under IRB exempt status, the authors retrospectively analyzed the treatment records of 161 patients who received TBI treatment between 2006 and 2011. Results: Across the entire cohort, the median {+-} SD (range) percent variance between calculated and measured dose for head, neck, mediastinum, umbilicus, and knee was -2.3 {+-} 10.2% (-66.2 to +35.3), 1.1 {+-} 11.5% (-62.2 to +40.3), -1.9 {+-} 9.5% (-66.4 to +46.6), -1.1 {+-} 7.2% (-35.2 to +42.9), and 3.4 {+-} 12.2% (-47.9 to +108.5), respectively. More than half of treatments were within {+-}10% of the prescribed dose for all anatomical regions. For 80% of treatments (10%-90%), dose at the umbilicus was within {+-}10

  16. Two-body Schrödinger wave functions in a plane-wave basis via separation of dimensions

    Science.gov (United States)

    Jerke, Jonathan; Poirier, Bill

    2018-03-01

    Using a combination of ideas, the ground and several excited electronic states of the helium atom and the hydrogen molecule are computed to chemical accuracy—i.e., to within 1-2 mhartree or better. The basic strategy is very different from the standard electronic structure approach in that the full two-electron six-dimensional (6D) problem is tackled directly, rather than starting from a single-electron Hartree-Fock approximation. Electron correlation is thus treated exactly, even though computational requirements remain modest. The method also allows for exact wave functions to be computed, as well as energy levels. From the full-dimensional 6D wave functions computed here, radial distribution functions and radial correlation functions are extracted—as well as a 2D probability density function exhibiting antisymmetry for a single Cartesian component. These calculations support a more recent interpretation of Hund's rule, which states that the lower energy of the higher spin-multiplicity states is actually due to reduced screening, rather than reduced electron-electron repulsion. Prospects for larger systems and/or electron dynamics applications appear promising.

  17. Probabilistic model to forecast earthquakes in the Zemmouri (Algeria) seismoactive area on the basis of moment magnitude scale distribution functions

    Science.gov (United States)

    Baddari, Kamel; Makdeche, Said; Bellalem, Fouzi

    2013-02-01

    Based on the moment magnitude scale, a probabilistic model was developed to predict the occurrences of strong earthquakes in the seismoactive area of Zemmouri, Algeria. Firstly, the distributions of earthquake magnitudes M i were described using the distribution function F 0(m), which adjusts the magnitudes considered as independent random variables. Secondly, the obtained result, i.e., the distribution function F 0(m) of the variables M i was used to deduce the distribution functions G(x) and H(y) of the variables Y i = Log M 0,i and Z i = M 0,i , where (Y i)i and (Z i)i are independent. Thirdly, some forecast for moments of the future earthquakes in the studied area is given.

  18. Complex Estimation of Strength Properties of Functional Materials on the Basis of the Analysis of Grain-Phase Structure Parameters

    OpenAIRE

    Gitman, M.B.; Klyuev, A.V.; Stolbov, V.Y.; Gitman, I.M.

    2017-01-01

    The technique allows analysis using grain-phase structure of the functional material to evaluate its performance, particularly strength properties. The technique is based on the use of linguistic variable in the process of comprehensive evaluation. An example of estimating the strength properties of steel reinforcement, subject to special heat treatment to obtain the desired grain-phase structure.

  19. Robust extraction of basis functions for simultaneous and proportional myoelectric control via sparse non-negative matrix factorization

    Science.gov (United States)

    Lin, Chuang; Wang, Binghui; Jiang, Ning; Farina, Dario

    2018-04-01

    Objective. This paper proposes a novel simultaneous and proportional multiple degree of freedom (DOF) myoelectric control method for active prostheses. Approach. The approach is based on non-negative matrix factorization (NMF) of surface EMG signals with the inclusion of sparseness constraints. By applying a sparseness constraint to the control signal matrix, it is possible to extract the basis information from arbitrary movements (quasi-unsupervised approach) for multiple DOFs concurrently. Main Results. In online testing based on target hitting, able-bodied subjects reached a greater throughput (TP) when using sparse NMF (SNMF) than with classic NMF or with linear regression (LR). Accordingly, the completion time (CT) was shorter for SNMF than NMF or LR. The same observations were made in two patients with unilateral limb deficiencies. Significance. The addition of sparseness constraints to NMF allows for a quasi-unsupervised approach to myoelectric control with superior results with respect to previous methods for the simultaneous and proportional control of multi-DOF. The proposed factorization algorithm allows robust simultaneous and proportional control, is superior to previous supervised algorithms, and, because of minimal supervision, paves the way to online adaptation in myoelectric control.

  20. Model-based Vestibular Afferent Stimulation: Modular Workflow for Analyzing Stimulation Scenarios in Patient Specific and Statistical Vestibular Anatomy

    Directory of Open Access Journals (Sweden)

    Michael Handler

    2017-12-01

    Full Text Available Our sense of balance and spatial orientation strongly depends on the correct functionality of our vestibular system. Vestibular dysfunction can lead to blurred vision and impaired balance and spatial orientation, causing a significant decrease in quality of life. Recent studies have shown that vestibular implants offer a possible treatment for patients with vestibular dysfunction. The close proximity of the vestibular nerve bundles, the facial nerve and the cochlear nerve poses a major challenge to targeted stimulation of the vestibular system. Modeling the electrical stimulation of the vestibular system allows for an efficient analysis of stimulation scenarios previous to time and cost intensive in vivo experiments. Current models are based on animal data or CAD models of human anatomy. In this work, a (semi-automatic modular workflow is presented for the stepwise transformation of segmented vestibular anatomy data of human vestibular specimens to an electrical model and subsequently analyzed. The steps of this workflow include (i the transformation of labeled datasets to a tetrahedra mesh, (ii nerve fiber anisotropy and fiber computation as a basis for neuron models, (iii inclusion of arbitrary electrode designs, (iv simulation of quasistationary potential distributions, and (v analysis of stimulus waveforms on the stimulation outcome. Results obtained by the workflow based on human datasets and the average shape of a statistical model revealed a high qualitative agreement and a quantitatively comparable range compared to data from literature, respectively. Based on our workflow, a detailed analysis of intra- and extra-labyrinthine electrode configurations with various stimulation waveforms and electrode designs can be performed on patient specific anatomy, making this framework a valuable tool for current optimization questions concerning vestibular implants in humans.

  1. Neural plasticity in hypocretin neurons: the basis of hypocretinergic regulation of physiological and behavioral functions in animals

    Directory of Open Access Journals (Sweden)

    Xiao-Bing eGao

    2015-10-01

    Full Text Available The neuronal system that resides in the perifornical and lateral hypothalamus (Pf/LH and synthesizes the neuropeptide hypocretin/orexin participates in critical brain functions across species from fish to human. The hypocretin system regulates neural activity responsible for daily functions (such as sleep/wake homeostasis, energy balance, appetite, etc and long-term behavioral changes (such as reward seeking and addiction, stress response, etc in animals. The most recent evidence suggests that the hypocretin system undergoes substantial plastic changes in response to both daily fluctuations (such as food intake and sleep-wake regulation and long-term changes (such as cocaine seeking in neuronal activity in the brain. The understanding of these changes in the hypocretin system is essential in addressing the role of the hypocretin system in normal physiological functions and pathological conditions in animals and humans. In this review, the evidence demonstrating that neural plasticity occurs in hypocretin-containing neurons in the Pf/LH will be presented and possible physiological behavioral, and mental health implications of these findings will be discussed.

  2. Neural plasticity in hypocretin neurons: the basis of hypocretinergic regulation of physiological and behavioral functions in animals

    Science.gov (United States)

    Gao, Xiao-Bing; Hermes, Gretchen

    2015-01-01

    The neuronal system that resides in the perifornical and lateral hypothalamus (Pf/LH) and synthesizes the neuropeptide hypocretin/orexin participates in critical brain functions across species from fish to human. The hypocretin system regulates neural activity responsible for daily functions (such as sleep/wake homeostasis, energy balance, appetite, etc.) and long-term behavioral changes (such as reward seeking and addiction, stress response, etc.) in animals. The most recent evidence suggests that the hypocretin system undergoes substantial plastic changes in response to both daily fluctuations (such as food intake and sleep-wake regulation) and long-term changes (such as cocaine seeking) in neuronal activity in the brain. The understanding of these changes in the hypocretin system is essential in addressing the role of the hypocretin system in normal physiological functions and pathological conditions in animals and humans. In this review, the evidence demonstrating that neural plasticity occurs in hypocretin-containing neurons in the Pf/LH will be presented and possible physiological, behavioral, and mental health implications of these findings will be discussed. PMID:26539086

  3. An Improved Collocation Meshless Method Based on the Variable Shaped Radial Basis Function for the Solution of the Interior Acoustic Problems

    Directory of Open Access Journals (Sweden)

    Shuang Wang

    2012-01-01

    Full Text Available As an efficient tool, radial basis function (RBF has been widely used for the multivariate approximation, interpolating continuous, and the solution of the particle differential equations. However, ill-conditioned interpolation matrix may be encountered when the interpolation points are very dense or irregularly arranged. To avert this problem, RBFs with variable shape parameters are introduced, and several new variation strategies are proposed. Comparison with the RBF with constant shape parameters are made, and the results show that the condition number of the interpolation matrix grows much slower with our strategies. As an application, an improved collocation meshless method is formulated by employing the new RBF. In addition, the Hermite-type interpolation is implemented to handle the Neumann boundary conditions and an additional sine/cosine basis is introduced for the Helmlholtz equation. Then, two interior acoustic problems are solved with the presented method; the results demonstrate the robustness and effectiveness of the method.

  4. RENAL FUNCTION TEST ON THE BASIS OF SERUM CREATININE AND UREA IN TYPE-2 DIABETICS AND NONDIABETICS

    Directory of Open Access Journals (Sweden)

    P. Singh

    2014-01-01

    Full Text Available Background: Type-2 diabetes mellitus has quickly become a global health problem due to rapidly increasing population growth, aging, urbanization and increasing prevalence of obesity and physical inactivity. Diabetic nephropathy is one of the major causes of chronic renal failure. Both serum urea and creatinine are widely used to assess the function of kidney. This study was conducted to observe the impaired renal function in type 2 diabetics and compare with non-diabetics controls. Method: To determine the incidence of renal dysfunction in diabetics in Nepalgunj medical college and Hospital , Nepalgunj , Banke, Nepal , blood samples from 100 diabetic subjects and 100 non-diabetic controls were taken between the period 1st February  , 2012  to  31st January , 2013 for investigation of  plasma glucose fasting(FPG, blood urea and serum creatinine. These biochemical parameters were determined by using a fully automated clinical chemistry analyzer. Results: Our findings showed that the level of blood urea (P<0.0001, 95%Cl and serum creatinine (P≈0.0004,95%Cl were significantly higher in type 2 diabetics as compared to non-diabetics in both male and female. There was no significant difference between diabetic male and female. 15 out of 100 diabetes samples have high urea level whereas 7 out of 100 had increased creatinine level. In control only 3 samples had high urea value and 1 had high creatinine level. There was statistical significant increased in urea level with increased in blood sugar level. Conclusion: Blood urea and creatinine is widely accepted to assess the renal functions. Good control of blood glucose level is absolute requirement to prevent progressive renal impairment.

  5. Principal direction of inertia for 3D trajectories from patient-specific TMJ movement.

    Science.gov (United States)

    Kim, Dae-Seung; Choi, Soon-Chul; Lee, Sam-Sun; Heo, Min-Suk; Huh, Kyung-Hoe; Hwang, Soon-Jung; Kim, Seong-Ha; Yi, Won-Jin

    2013-03-01

    Accurate simulation and evaluation of mandibular movement is fundamental for the analysis of functional changes and effects of the mandible and maxilla before and after surgical treatments. We applied principal axes of inertia to the three-dimensional (3D) trajectories generated by patient-specific simulations of TMJ movements for the functional evaluations of mandible movement. Three-dimensional movements of the mandible and the maxilla were tracked based on a patient-specific splint and an optical tracking system. The dental occlusion recorded on the sprint provided synchronization for initial movement in the tracking and the simulation phases. The translation and rotation recorded during movement tracking was applied sequentially to the mandibular model in relation to a fixed maxilla model. The sequential 3D positions of selected landmarks on the mandible were calculated based on the reference coordinate system. The landmarks selected for analysis were bilateral condyles and pogonion points. The moment of inertia tensor was calculated with respect to the 3D trajectory points. Using the unit vectors along the principal axes derived from the tensor matrix, α, β and γ rotations around z-, y- and x-axes were determined to represent the principal directions as principal rotations respectively. The γ direction showed the higher standard deviation, variation of directions, than other directions at all the landmarks. The mandible movement has larger kinematic redundancy in the γ direction than α and β during mouth opening and closing. Principal directions of inertia would be applied to analyzing the changes in angular motion of trajectories introduced by mandibular shape changes from surgical treatments and also to the analysis of the influence of skeletal deformities on mandibular movement asymmetry. Copyright © 2012 Elsevier Ltd. All rights reserved.

  6. Patient specific actual size 3D printed models for patient education in glioma treatment: first experiences.

    Science.gov (United States)

    van de Belt, Tom H; Nijmeijer, Hugo; Grim, David; Engelen, Lucien Jlpg; Vreeken, Rinaldo; van Gelder, Marleen Mmj; Laan, Mark Ter

    2018-06-02

    Cancer patients need high quality information about the disease stage, treatment options and side effects. High quality information can also improve health literacy, shared decision-making and satisfaction. We created patient-specific 3D models of tumours including surrounding functional areas, and assessed what patients with glioma actually value (or fear) about these models when they are used to educate them about the relation between their tumour and specific brain parts, the surgical procedure, and risks. We carried out an explorative study with adult glioma patients, who underwent functional MRI and DTi as part of the pre-operative work-up. All participants received an actual size 3D model, printed based on fMRI and DTi imaging. Semi-structured interviews were held to identify facilitators and barriers for using the model, and perceived effects. A model was successfully created for all 11 participants. A total of 18 facilitators and 8 barriers were identified. The model improved patients' understanding about their situation, that it was easier to ask questions to their neurosurgeon based on their model and that it supported their decision about the preferred treatment. A perceived barrier for using the 3D model was that it could be emotionally confronting, particularly in an early phase of the disease process. Positive effects were related to psychological domains including coping, learning effects and communication. Patient-specific 3D models are promising and simple tools that could help patients with glioma to better understand their situation, treatment options and risks. They have the potential to improve shared decision-making. Copyright © 2018 The Author(s). Published by Elsevier Inc. All rights reserved.

  7. Effect of fatty acids on functional properties of normal wheat and waxy wheat starches: A structural basis.

    Science.gov (United States)

    Wang, Shujun; Wang, Jinrong; Yu, Jinglin; Wang, Shuo

    2016-01-01

    The effects of three saturated fatty acids on functional properties of normal wheat and waxy wheat starches were investigated. The complexing index (CI) of normal wheat starch-fatty acid complexes decreased with increasing carbon chain length. In contrast, waxy wheat starch-fatty acid complexes presented much lower CI. V-type crystalline polymorphs were formed between normal wheat starch and three fatty acids, with shorter chain fatty acids producing more crystalline structure. FTIR and Raman spectroscopy presented the similar results with XRD. The formation of amylose-fatty acid complex inhibited granule swelling, gelatinization progression, retrogradation and pasting development of normal wheat starch, with longer chain fatty acids showing greater inhibition. Amylopectin can also form complexes with fatty acids, but the amount of complex was too little to be detected by XRD, FTIR, Raman and DSC. As a consequence, small changes were observed in the functional properties of waxy wheat starch with the addition of fatty acids. Copyright © 2015 Elsevier Ltd. All rights reserved.

  8. Neural Network Optimization of Ligament Stiffnesses for the Enhanced Predictive Ability of a Patient-Specific, Computational Foot/Ankle Model.

    Science.gov (United States)

    Chande, Ruchi D; Wayne, Jennifer S

    2017-09-01

    Computational models of diarthrodial joints serve to inform the biomechanical function of these structures, and as such, must be supplied appropriate inputs for performance that is representative of actual joint function. Inputs for these models are sourced from both imaging modalities as well as literature. The latter is often the source of mechanical properties for soft tissues, like ligament stiffnesses; however, such data are not always available for all the soft tissues nor is it known for patient-specific work. In the current research, a method to improve the ligament stiffness definition for a computational foot/ankle model was sought with the greater goal of improving the predictive ability of the computational model. Specifically, the stiffness values were optimized using artificial neural networks (ANNs); both feedforward and radial basis function networks (RBFNs) were considered. Optimal networks of each type were determined and subsequently used to predict stiffnesses for the foot/ankle model. Ultimately, the predicted stiffnesses were considered reasonable and resulted in enhanced performance of the computational model, suggesting that artificial neural networks can be used to optimize stiffness inputs.

  9. The Effect of Inlet Waveforms on Computational Hemodynamics of Patient-Specific Intracranial Aneurysms

    OpenAIRE

    Xiang, J.; Siddiqui, A.H.; Meng, H.

    2014-01-01

    Due to the lack of patient-specific inlet flow waveform measurements, most computational fluid dynamics (CFD) simulations of intracranial aneurysms usually employ waveforms that are not patient-specific as inlet boundary conditions for the computational model. The current study examined how this assumption affects the predicted hemodynamics in patient-specific aneurysm geometries. We examined wall shear stress (WSS) and oscillatory shear index (OSI), the two most widely studied hemodynamic qu...

  10. Structural and Functional Basis for an EBNA1 Hexameric Ring in Epstein-Barr Virus Episome Maintenance.

    Science.gov (United States)

    Deakyne, Julianna S; Malecka, Kimberly A; Messick, Troy E; Lieberman, Paul M

    2017-10-01

    Epstein-Barr virus (EBV) establishes a stable latent infection that can persist for the life of the host. EBNA1 is required for the replication, maintenance, and segregation of the latent episome, but the structural features of EBNA1 that confer each of these functions are not completely understood. Here, we have solved the X-ray crystal structure of an EBNA1 DNA-binding domain (DBD) and discovered a novel hexameric ring oligomeric form. The oligomeric interface pivoted around residue T585 as a joint that links and stabilizes higher-order EBNA1 complexes. Substitution mutations around the interface destabilized higher-order complex formation and altered the cooperative DNA-binding properties of EBNA1. Mutations had both positive and negative effects on EBNA1-dependent DNA replication and episome maintenance with OriP. We found that one naturally occurring polymorphism in the oligomer interface (T585P) had greater cooperative DNA binding in vitro , minor defects in DNA replication, and pronounced defects in episome maintenance. The T585P mutant was compromised for binding to OriP in vivo as well as for assembling the origin recognition complex subunit 2 (ORC2) and trimethylated histone 3 lysine 4 (H3K4me3) at OriP. The T585P mutant was also compromised for forming stable subnuclear foci in living cells. These findings reveal a novel oligomeric structure of EBNA1 with an interface subject to naturally occurring polymorphisms that modulate EBNA1 functional properties. We propose that EBNA1 dimers can assemble into higher-order oligomeric structures important for diverse functions of EBNA1. IMPORTANCE Epstein-Barr virus is a human gammaherpesvirus that is causally associated with various cancers. Carcinogenic properties are linked to the ability of the virus to persist in the latent form for the lifetime of the host. EBNA1 is a sequence-specific DNA-binding protein that is consistently expressed in EBV tumors and is the only viral protein required to maintain the viral

  11. Mejoramiento de imágenes usando funciones de base radial Images improvement using radial basis functions

    Directory of Open Access Journals (Sweden)

    Jaime Alberto Echeverri Arias

    2009-07-01

    Full Text Available La eliminación del ruido impulsivo es un problema clásico del procesado no lineal para el mejoramiento de imágenes y las funciones de base radial de soporte global son útiles para enfrentarlo. Este trabajo presenta una técnica de interpolación que disminuye eficientemente el ruido impulsivo en imágenes, mediante el uso de interpolante obtenido por funciones de base radial en el marco de la investigación enfocada en el desarrollo de un Sistema de recuperación de imágenes de recursos acuáticos amazónicos. Esta técnica primero etiqueta los píxeles de la imagen que son ruidosos y, mediante la interpolación, genera un valor de reconstrucción de dicho píxel usando sus vecinos. Los resultados obtenidos son comparables y muchas veces mejores que otras técnicas ya publicadas y reconocidas. Según el análisis de resultados, se puede aplicar a imágenes con altas tasas de ruido, manteniendo un bajo error de reconstrucción de los píxeles "ruidosos", así como la calidad visual.Global support radial base functions are effective in eliminating impulsive noise in non-linear processing. This paper introduces an interpolation technique which efficiently reduces image impulsive noise by means of an interpolant obtained through radial base functions. These functions have been used in a research project designed to develop a system for the recovery of images of Amazonian aquatic resources. This technique starts with the tagging by interpolation of noisy image pixels. Thus, a value of reconstruction for the noisy pixels is generated using neighboring pixels. The results obtained with this technique have proved comparable and often better than those obtained with previously known techniques. According to results analysis, this technique can be successfully applied on images with high noise levels. The results are low error in noisy pixel reconstruction and better visual quality.

  12. What is the best density functional to describe water clusters: evaluation of widely used density functionals with various basis sets for (H2O)n (n = 1-10)

    Czech Academy of Sciences Publication Activity Database

    Li, F.; Wang, L.; Zhao, J.; Xie, J. R. H.; Riley, Kevin Eugene; Chen, Z.

    2011-01-01

    Roč. 130, 2/3 (2011), s. 341-352 ISSN 1432-881X Institutional research plan: CEZ:AV0Z40550506 Keywords : water cluster * density functional theory * MP2 . CCSD(T) * basis set * relative energies Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.162, year: 2011

  13. Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water Molecule

    Science.gov (United States)

    Zen, Andrea; Luo, Ye; Sorella, Sandro; Guidoni, Leonardo

    2014-01-01

    Quantum Monte Carlo methods are accurate and promising many body techniques for electronic structure calculations which, in the last years, are encountering a growing interest thanks to their favorable scaling with the system size and their efficient parallelization, particularly suited for the modern high performance computing facilities. The ansatz of the wave function and its variational flexibility are crucial points for both the accurate description of molecular properties and the capabilities of the method to tackle large systems. In this paper, we extensively analyze, using different variational ansatzes, several properties of the water molecule, namely, the total energy, the dipole and quadrupole momenta, the ionization and atomization energies, the equilibrium configuration, and the harmonic and fundamental frequencies of vibration. The investigation mainly focuses on variational Monte Carlo calculations, although several lattice regularized diffusion Monte Carlo calculations are also reported. Through a systematic study, we provide a useful guide to the choice of the wave function, the pseudopotential, and the basis set for QMC calculations. We also introduce a new method for the computation of forces with finite variance on open systems and a new strategy for the definition of the atomic orbitals involved in the Jastrow-Antisymmetrised Geminal power wave function, in order to drastically reduce the number of variational parameters. This scheme significantly improves the efficiency of QMC energy minimization in case of large basis sets. PMID:24526929

  14. High-order Div- and Quasi Curl-Conforming Basis Functions for Calderón Multiplicative Preconditioning of the EFIE

    KAUST Repository

    Valdes, Felipe; Andriulli, Francesco P.; Cools, Kristof; Michielssen, Eric

    2011-01-01

    A new high-order Calderón multiplicative preconditioner (HO-CMP) for the electric field integral equation (EFIE) is presented. In contrast to previous CMPs, the proposed preconditioner allows for high-order surface representations and current expansions by using a novel set of high-order quasi curl-conforming basis functions. Like its predecessors, the HO-CMP can be seamlessly integrated into existing EFIE codes. Numerical results demonstrate that the linear systems of equations obtained using the proposed HO-CMP converge rapidly, regardless of the mesh density and of the order of the current expansion. © 2006 IEEE.

  15. High-order Div- and Quasi Curl-Conforming Basis Functions for Calderón Multiplicative Preconditioning of the EFIE

    KAUST Repository

    Valdes, Felipe

    2011-04-01

    A new high-order Calderón multiplicative preconditioner (HO-CMP) for the electric field integral equation (EFIE) is presented. In contrast to previous CMPs, the proposed preconditioner allows for high-order surface representations and current expansions by using a novel set of high-order quasi curl-conforming basis functions. Like its predecessors, the HO-CMP can be seamlessly integrated into existing EFIE codes. Numerical results demonstrate that the linear systems of equations obtained using the proposed HO-CMP converge rapidly, regardless of the mesh density and of the order of the current expansion. © 2006 IEEE.

  16. The overlapped radial basis function-finite difference (RBF-FD) method: A generalization of RBF-FD

    Science.gov (United States)

    Shankar, Varun

    2017-08-01

    We present a generalization of the RBF-FD method that computes RBF-FD weights in finite-sized neighborhoods around the centers of RBF-FD stencils by introducing an overlap parameter δ ∈ (0 , 1 ] such that δ = 1 recovers the standard RBF-FD method and δ = 0 results in a full decoupling of stencils. We provide experimental evidence to support this generalization, and develop an automatic stabilization procedure based on local Lebesgue functions for the stable selection of stencil weights over a wide range of δ values. We provide an a priori estimate for the speedup of our method over RBF-FD that serves as a good predictor for the true speedup. We apply our method to parabolic partial differential equations with time-dependent inhomogeneous boundary conditions - Neumann in 2D, and Dirichlet in 3D. Our results show that our method can achieve as high as a 60× speedup in 3D over existing RBF-FD methods in the task of forming differentiation matrices.

  17. On the functional integration between postural and supra-postural tasks on the basis of contextual cues and task constraint.

    Science.gov (United States)

    de Lima, Andrea Cristina; de Azevedo Neto, Raymundo Machado; Teixeira, Luis Augusto

    2010-10-01

    In order to evaluate the effects of uncertainty about direction of mechanical perturbation and supra-postural task constraint on postural control, young adults had their upright stance perturbed while holding a tray in a horizontal position. Stance was perturbed by moving forward or backward a supporting platform, contrasting situations of certainty versus uncertainty of direction of displacement. Increased constraint on postural stability was imposed by a supra-postural task of equilibrating a cylinder on the tray. Performance was assessed through EMG of anterior leg muscles, angular displacement of the main joints involved in the postural reactions and displacement of the tray. Results showed that both certainty on the direction of perturbation and increased supra-postural task constraint led to decreased angular displacement of the knee and the hip. Furthermore, combination of certainty and high supra-postural task constraint produced shorter latency of muscular activation. Such postural responses were paralleled by decreased displacement of the tray. These results suggest a functional integration between the tasks, with central set priming reactive postural responses from contextual cues and increased stability demand. Copyright © 2010 Elsevier B.V. All rights reserved.

  18. Induced radioactivity in a patient-specific collimator used in proton therapy

    CERN Document Server

    Silari, M; Mauro, Egidio; Silari, Marco

    2010-01-01

    This paper discusses the activation of a patient-specific collimator, calculating dose rates, total activities and activities per unit mass of the mixture of radionuclides generated by proton irradiation in the energy range 100-250 MeV. Monte Carlo simulations were first performed for a generic case, using an approximate geometry and on the basis of assumptions on beam intensity and irradiation profile. A collimator used for a prostate cancer treatment was obtained from the MD Anderson Cancer Center (MDACC), Houston, USA, from which a number of samples were cut and analyzed by gamma spectrometry. The results of the gamma spectrometry are compared with the results of Monte Carlo simulations performed using geometrical and irradiation data specific to the unit. The assumptions made for the simulations and their impact on the results are discussed. Dose rate measurements performed in a low-background area at CERN and routine radiation protection measurements at the MDACC are also reported. It is shown that it sh...

  19. Quantification of hepatic flow distribution using particle tracking for patient specific virtual Fontan surgery

    Science.gov (United States)

    Yang, Weiguang; Vignon-Clementel, Irene; Troianowski, Guillaume; Shadden, Shawn; Mohhan Reddy, V.; Feinstein, Jeffrey; Marsden, Alison

    2010-11-01

    The Fontan surgery is the third and final stage in a palliative series to treat children with single ventricle heart defects. In the extracardiac Fontan procedure, the inferior vena cava (IVC) is connected to the pulmonary arteries via a tube-shaped Gore-tex graft. Clinical observations have shown that the absence of a hepatic factor, carried in the IVC flow, can cause pulmonary arteriovenous malformations. Although it is clear that hepatic flow distribution is an important determinant of Fontan performance, few studies have quantified its relation to Fontan design. In this study, we virtually implanted three types of grafts (T-junction, offset and Y-graft) into 5 patient specific models of the Glenn (stage 2) anatomy. We then performed 3D time-dependent simulations and systematically compared the IVC flow distribution, energy loss, and pressure levels in different surgical designs. A robustness test is performed to evaluate the sensitivity of hepatic distribution to pulmonary flow split. Results show that the Y-graft design effectively improves the IVC flow distribution, compared to traditional designs and that surgical designs could be customized on a patient-by-patient basis.

  20. Patient-specific system for prognosis of surgical treatment outcomes of human cardiovascular system

    Science.gov (United States)

    Golyadkina, Anastasiya A.; Kalinin, Aleksey A.; Kirillova, Irina V.; Kossovich, Elena L.; Kossovich, Leonid Y.; Menishova, Liyana R.; Polienko, Asel V.

    2015-03-01

    Object of study: Improvement of life quality of patients with high stroke risk ia the main goal for development of system for patient-specific modeling of cardiovascular system. This work is dedicated at increase of safety outcomes for surgical treatment of brain blood supply alterations. The objects of study are common carotid artery, internal and external carotid arteries and bulb. Methods: We estimated mechanical properties of carotid arteries tissues and patching materials utilized at angioplasty. We studied angioarchitecture features of arteries. We developed and clinically adapted computer biomechanical models, which are characterized by geometrical, physical and mechanical similarity with carotid artery in norm and with pathology (atherosclerosis, pathological tortuosity, and their combination). Results: Collaboration of practicing cardiovascular surgeons and specialists in the area of Mathematics and Mechanics allowed to successfully conduct finite-element modeling of surgical treatment taking into account various features of operation techniques and patching materials for a specific patient. Numerical experiment allowed to reveal factors leading to brain blood supply decrease and atherosclerosis development. Modeling of carotid artery reconstruction surgery for a specific patient on the basis of the constructed biomechanical model demonstrated the possibility of its application in clinical practice at approximation of numerical experiment to the real conditions.

  1. Cell-free synthesis of functional antibody fragments to provide a structural basis for antibody-antigen interaction.

    Directory of Open Access Journals (Sweden)

    Takayoshi Matsuda

    Full Text Available Growing numbers of therapeutic antibodies offer excellent treatment strategies for many diseases. Elucidation of the interaction between a potential therapeutic antibody and its target protein by structural analysis reveals the mechanism of action and offers useful information for developing rational antibody designs for improved affinity. Here, we developed a rapid, high-yield cell-free system using dialysis mode to synthesize antibody fragments for the structural analysis of antibody-antigen complexes. Optimal synthesis conditions of fragments (Fv and Fab of the anti-EGFR antibody 059-152 were rapidly determined in a day by using a 30-μl-scale unit. The concentration of supplemented disulfide isomerase, DsbC, was critical to obtaining soluble antibody fragments. The optimal conditions were directly applicable to a 9-ml-scale reaction, with linear scalable yields of more than 1 mg/ml. Analyses of purified 059-152-Fv and Fab showed that the cell-free synthesized antibody fragments were disulfide-bridged, with antigen binding activity comparable to that of clinical antibodies. Examination of the crystal structure of cell-free synthesized 059-152-Fv in complex with the extracellular domain of human EGFR revealed that the epitope of 059-152-Fv broadly covers the EGF binding surface on domain III, including residues that formed critical hydrogen bonds with EGF (Asp355EGFR, Gln384EGFR, H409EGFR, and Lys465EGFR, so that the antibody inhibited EGFR activation. We further demonstrated the application of the cell-free system to site-specific integration of non-natural amino acids for antibody engineering, which would expand the availability of therapeutic antibodies based on structural information and rational design. This cell-free system could be an ideal antibody-fragment production platform for functional and structural analysis of potential therapeutic antibodies and for engineered antibody development.

  2. Functionality of the Kosovo Competition Authority on the basis of European Union standards a guarantee for loyal economy in Kosovo

    Directory of Open Access Journals (Sweden)

    Armand Krasniqi

    2015-07-01

    Full Text Available Legal regulation of market mechanisms and the implementation of economic policies for a fair competition in TEs is a challenging issue. The competition is a complex economic phenomenon that is manifested and characterized by the strength and content that gives to the market economy. In Kosovo specific economic entities, in one way or another, are tempted to gain as much buyers or markets and create much more profits. The problem is connected with the irregularity. Such behavior and unfair actions are not only damaging the image of the country but are a serious threat the harmonious development of the national economy and the country’s accession process to the EU. The parliament of Kosovo established the Kosovo Competition Authority as an independent institution with special competences to control and fight this negative phenomenon. Based to official data it turns out that the effectiveness of this institution is not only incomplete but also non-functional. This is because of the “ignorance” and non-adequate treatment that is reserved for this authority by the parliamentary and governmental institutions. All this because the members are not elected based to regular procedures and not allocating the necessary financial means to operate. At least so far, the Kosovo Competition Authority was not allowed to hire professionals with clear competences to act and investigate the negative phenomenon of unfair competition. Certainly, this situation does not guarantee effective implementation of laws and quality protection of competition. Therefore, the mobilization of parliamentary and governmental levels is needed to enhance professional capacities and increase their competence in scope of the investigation including cooperation with prosecutors and courts. These actions should be reconsidered with the aim of creating a competitive safe environment for all operators. To conclude, the loyal competition policies and legislative framework should be

  3. The physiological basis of Glottal electromagnetic micropower sensors (GEMS) and their use in defining an excitation function for the human vocal tract

    Science.gov (United States)

    Burnett, Gregory Clell

    1999-10-01

    The definition, use, and physiological basis of Glottal Electromagnetic Micropower Sensors (GEMS) is presented. These sensors are a new type of low power (excitation function for the human vocal tract. For the first time, an excitation function may be calculated in near real time using a noninvasive procedure. Several experiments and models are presented to demonstrate that the GEMS signal is representative of the motion of the subglottal posterior wall of the trachea as it vibrates in response to the pressure changes caused by the folds as they modulate the airflow supplied by the lungs. The vibrational properties of the tracheal wall are modeled using a lumped-element circuit model. Taking the output of the vocal tract to be the audio pressure captured by a microphone and the input to be the subglottal pressure, the transfer function of the vocal tract (including the nasal cavities) can be approximated every 10-30 milliseconds using an autoregressive moving-average model. Unlike the currently utilized method of transfer function approximation, this new method only involves noninvasive GEMS measurements and digital signal processing and does not demand the difficult task of obtaining precise physical measurements of the tract and subsequent estimation of the transfer function using its cross-sectional area. The ability to measure the physical motion of the trachea enables a significant number of potential applications, ranging from very accurate pitch detection to speech synthesis, speaker verification, and speech recognition.

  4. Use of Two-Body Correlated Basis Functions with van der Waals Interaction to Study the Shape-Independent Approximation for a Large Number of Trapped Interacting Bosons

    Science.gov (United States)

    Lekala, M. L.; Chakrabarti, B.; Das, T. K.; Rampho, G. J.; Sofianos, S. A.; Adam, R. M.; Haldar, S. K.

    2017-05-01

    We study the ground-state and the low-lying excitations of a trapped Bose gas in an isotropic harmonic potential for very small (˜ 3) to very large (˜ 10^7) particle numbers. We use the two-body correlated basis functions and the shape-dependent van der Waals interaction in our many-body calculations. We present an exhaustive study of the effect of inter-atomic correlations and the accuracy of the mean-field equations considering a wide range of particle numbers. We calculate the ground-state energy and the one-body density for different values of the van der Waals parameter C6. We compare our results with those of the modified Gross-Pitaevskii results, the correlated Hartree hypernetted-chain equations (which also utilize the two-body correlated basis functions), as well as of the diffusion Monte Carlo for hard sphere interactions. We observe the effect of the attractive tail of the van der Waals potential in the calculations of the one-body density over the truly repulsive zero-range potential as used in the Gross-Pitaevskii equation and discuss the finite-size effects. We also present the low-lying collective excitations which are well described by a hydrodynamic model in the large particle limit.

  5. Common spatial pattern combined with kernel linear discriminate and generalized radial basis function for motor imagery-based brain computer interface applications

    Science.gov (United States)

    Hekmatmanesh, Amin; Jamaloo, Fatemeh; Wu, Huapeng; Handroos, Heikki; Kilpeläinen, Asko

    2018-04-01

    Brain Computer Interface (BCI) can be a challenge for developing of robotic, prosthesis and human-controlled systems. This work focuses on the implementation of a common spatial pattern (CSP) base algorithm to detect event related desynchronization patterns. Utilizing famous previous work in this area, features are extracted by filter bank with common spatial pattern (FBCSP) method, and then weighted by a sensitive learning vector quantization (SLVQ) algorithm. In the current work, application of the radial basis function (RBF) as a mapping kernel of linear discriminant analysis (KLDA) method on the weighted features, allows the transfer of data into a higher dimension for more discriminated data scattering by RBF kernel. Afterwards, support vector machine (SVM) with generalized radial basis function (GRBF) kernel is employed to improve the efficiency and robustness of the classification. Averagely, 89.60% accuracy and 74.19% robustness are achieved. BCI Competition III, Iva data set is used to evaluate the algorithm for detecting right hand and foot imagery movement patterns. Results show that combination of KLDA with SVM-GRBF classifier makes 8.9% and 14.19% improvements in accuracy and robustness, respectively. For all the subjects, it is concluded that mapping the CSP features into a higher dimension by RBF and utilization GRBF as a kernel of SVM, improve the accuracy and reliability of the proposed method.

  6. Designing an artificial neural network using radial basis function to model exergetic efficiency of nanofluids in mini double pipe heat exchanger

    Science.gov (United States)

    Ghasemi, Nahid; Aghayari, Reza; Maddah, Heydar

    2018-06-01

    The present study aims at predicting and optimizing exergetic efficiency of TiO2-Al2O3/water nanofluid at different Reynolds numbers, volume fractions and twisted ratios using Artificial Neural Networks (ANN) and experimental data. Central Composite Design (CCD) and cascade Radial Basis Function (RBF) were used to display the significant levels of the analyzed factors on the exergetic efficiency. The size of TiO2-Al2O3/water nanocomposite was 20-70 nm. The parameters of ANN model were adapted by a training algorithm of radial basis function (RBF) with a wide range of experimental data set. Total mean square error and correlation coefficient were used to evaluate the results which the best result was obtained from double layer perceptron neural network with 30 neurons in which total Mean Square Error(MSE) and correlation coefficient (R2) were equal to 0.002 and 0.999, respectively. This indicated successful prediction of the network. Moreover, the proposed equation for predicting exergetic efficiency was extremely successful. According to the optimal curves, the optimum designing parameters of double pipe heat exchanger with inner twisted tape and nanofluid under the constrains of exergetic efficiency 0.937 are found to be Reynolds number 2500, twisted ratio 2.5 and volume fraction( v/v%) 0.05.

  7. Safety Basis Report

    International Nuclear Information System (INIS)

    R.J. Garrett

    2002-01-01

    As part of the internal Integrated Safety Management Assessment verification process, it was determined that there was a lack of documentation that summarizes the safety basis of the current Yucca Mountain Project (YMP) site characterization activities. It was noted that a safety basis would make it possible to establish a technically justifiable graded approach to the implementation of the requirements identified in the Standards/Requirements Identification Document. The Standards/Requirements Identification Documents commit a facility to compliance with specific requirements and, together with the hazard baseline documentation, provide a technical basis for ensuring that the public and workers are protected. This Safety Basis Report has been developed to establish and document the safety basis of the current site characterization activities, establish and document the hazard baseline, and provide the technical basis for identifying structures, systems, and components (SSCs) that perform functions necessary to protect the public, the worker, and the environment from hazards unique to the YMP site characterization activities. This technical basis for identifying SSCs serves as a grading process for the implementation of programs such as Conduct of Operations (DOE Order 5480.19) and the Suspect/Counterfeit Items Program. In addition, this report provides a consolidated summary of the hazards analyses processes developed to support the design, construction, and operation of the YMP site characterization facilities and, therefore, provides a tool for evaluating the safety impacts of changes to the design and operation of the YMP site characterization activities

  8. Safety Basis Report

    Energy Technology Data Exchange (ETDEWEB)

    R.J. Garrett

    2002-01-14

    As part of the internal Integrated Safety Management Assessment verification process, it was determined that there was a lack of documentation that summarizes the safety basis of the current Yucca Mountain Project (YMP) site characterization activities. It was noted that a safety basis would make it possible to establish a technically justifiable graded approach to the implementation of the requirements identified in the Standards/Requirements Identification Document. The Standards/Requirements Identification Documents commit a facility to compliance with specific requirements and, together with the hazard baseline documentation, provide a technical basis for ensuring that the public and workers are protected. This Safety Basis Report has been developed to establish and document the safety basis of the current site characterization activities, establish and document the hazard baseline, and provide the technical basis for identifying structures, systems, and components (SSCs) that perform functions necessary to protect the public, the worker, and the environment from hazards unique to the YMP site characterization activities. This technical basis for identifying SSCs serves as a grading process for the implementation of programs such as Conduct of Operations (DOE Order 5480.19) and the Suspect/Counterfeit Items Program. In addition, this report provides a consolidated summary of the hazards analyses processes developed to support the design, construction, and operation of the YMP site characterization facilities and, therefore, provides a tool for evaluating the safety impacts of changes to the design and operation of the YMP site characterization activities.

  9. Patient-specific targeting guides compared with traditional instrumentation for glenoid component placement in shoulder arthroplasty: a multi-surgeon study in 70 arthritic cadaver specimens.

    Science.gov (United States)

    Throckmorton, Thomas W; Gulotta, Lawrence V; Bonnarens, Frank O; Wright, Stephen A; Hartzell, Jeffrey L; Rozzi, William B; Hurst, Jason M; Frostick, Simon P; Sperling, John W

    2015-06-01

    The purpose of this study was to compare the accuracy of patient-specific guides for total shoulder arthroplasty (TSA) with traditional instrumentation in arthritic cadaver shoulders. We hypothesized that the patient-specific guides would place components more accurately than standard instrumentation. Seventy cadaver shoulders with radiographically confirmed arthritis were randomized in equal groups to 5 surgeons of varying experience levels who were not involved in development of the patient-specific guidance system. Specimens were then randomized to patient-specific guides based off of computed tomography scanning, standard instrumentation, and anatomic TSA or reverse TSA. Variances in version or inclination of more than 10° and more than 4 mm in starting point were considered indications of significant component malposition. TSA glenoid components placed with patient-specific guides averaged 5° of deviation from the intended position in version and 3° in inclination; those with standard instrumentation averaged 8° of deviation in version and 7° in inclination. These differences were significant for version (P = .04) and inclination (P = .01). Multivariate analysis of variance to compare the overall accuracy for the entire cohort (TSA and reverse TSA) revealed patient-specific guides to be significantly more accurate (P = .01) for the combined vectors of version and inclination. Patient-specific guides also had fewer instances of significant component malposition than standard instrumentation did. Patient-specific targeting guides were more accurate than traditional instrumentation and had fewer instances of component malposition for glenoid component placement in this multi-surgeon cadaver study of arthritic shoulders. Long-term clinical studies are needed to determine if these improvements produce improved functional outcomes. Copyright © 2015 Journal of Shoulder and Elbow Surgery Board of Trustees. Published by Elsevier Inc. All rights reserved.

  10. Molecular basis of neural function

    International Nuclear Information System (INIS)

    Tucek, S.; Stipek, S.; Stastny, F.; Krivanek, J.

    1986-01-01

    The conference proceedings contain abstracts of plenary lectures, of young neurochemists' ESN honorary lectures, lectures at symposia and workshops and poster communications. Twenty abstracts were inputted in INIS. The subject of these were the use of autoradiography for the determination of receptors, cholecystokinin, nicotine, adrenaline, glutamate, aspartate, tranquilizers, for distribution and pharmacokinetics of obidoxime-chloride, for cell proliferation, mitosis of brain cells, DNA repair; radioimmunoassay of cholinesterase, tyrosinase; positron computed tomography of the brain; biological radiation effects on cholinesterase activity; tracer techniques for determination of adrenaline; and studies of the biological repair of nerves. (J.P.)

  11. A geometrical correction for the inter- and intra-molecular basis set superposition error in Hartree-Fock and density functional theory calculations for large systems.

    Science.gov (United States)

    Kruse, Holger; Grimme, Stefan

    2012-04-21

    A semi-empirical counterpoise-type correction for basis set superposition error (BSSE) in molecular systems is presented. An atom pair-wise potential corrects for the inter- and intra-molecular BSSE in supermolecular Hartree-Fock (HF) or density functional theory (DFT) calculations. This geometrical counterpoise (gCP) denoted scheme depends only on the molecular geometry, i.e., no input from the electronic wave-function is required and hence is applicable to molecules with ten thousands of atoms. The four necessary parameters have been determined by a fit to standard Boys and Bernadi counterpoise corrections for Hobza's S66×8 set of non-covalently bound complexes (528 data points). The method's target are small basis sets (e.g., minimal, split-valence, 6-31G*), but reliable results are also obtained for larger triple-ζ sets. The intermolecular BSSE is calculated by gCP within a typical error of 10%-30% that proves sufficient in many practical applications. The approach is suggested as a quantitative correction in production work and can also be routinely applied to estimate the magnitude of the BSSE beforehand. The applicability for biomolecules as the primary target is tested for the crambin protein, where gCP removes intramolecular BSSE effectively and yields conformational energies comparable to def2-TZVP basis results. Good mutual agreement is also found with Jensen's ACP(4) scheme, estimating the intramolecular BSSE in the phenylalanine-glycine-phenylalanine tripeptide, for which also a relaxed rotational energy profile is presented. A variety of minimal and double-ζ basis sets combined with gCP and the dispersion corrections DFT-D3 and DFT-NL are successfully benchmarked on the S22 and S66 sets of non-covalent interactions. Outstanding performance with a mean absolute deviation (MAD) of 0.51 kcal/mol (0.38 kcal/mol after D3-refit) is obtained at the gCP-corrected HF-D3/(minimal basis) level for the S66 benchmark. The gCP-corrected B3LYP-D3/6-31G* model

  12. A geometrical correction for the inter- and intra-molecular basis set superposition error in Hartree-Fock and density functional theory calculations for large systems

    Science.gov (United States)

    Kruse, Holger; Grimme, Stefan

    2012-04-01

    A semi-empirical counterpoise-type correction for basis set superposition error (BSSE) in molecular systems is presented. An atom pair-wise potential corrects for the inter- and intra-molecular BSSE in supermolecular Hartree-Fock (HF) or density functional theory (DFT) calculations. This geometrical counterpoise (gCP) denoted scheme depends only on the molecular geometry, i.e., no input from the electronic wave-function is required and hence is applicable to molecules with ten thousands of atoms. The four necessary parameters have been determined by a fit to standard Boys and Bernadi counterpoise corrections for Hobza's S66×8 set of non-covalently bound complexes (528 data points). The method's target are small basis sets (e.g., minimal, split-valence, 6-31G*), but reliable results are also obtained for larger triple-ζ sets. The intermolecular BSSE is calculated by gCP within a typical error of 10%-30% that proves sufficient in many practical applications. The approach is suggested as a quantitative correction in production work and can also be routinely applied to estimate the magnitude of the BSSE beforehand. The applicability for biomolecules as the primary target is tested for the crambin protein, where gCP removes intramolecular BSSE effectively and yields conformational energies comparable to def2-TZVP basis results. Good mutual agreement is also found with Jensen's ACP(4) scheme, estimating the intramolecular BSSE in the phenylalanine-glycine-phenylalanine tripeptide, for which also a relaxed rotational energy profile is presented. A variety of minimal and double-ζ basis sets combined with gCP and the dispersion corrections DFT-D3 and DFT-NL are successfully benchmarked on the S22 and S66 sets of non-covalent interactions. Outstanding performance with a mean absolute deviation (MAD) of 0.51 kcal/mol (0.38 kcal/mol after D3-refit) is obtained at the gCP-corrected HF-D3/(minimal basis) level for the S66 benchmark. The gCP-corrected B3LYP-D3/6-31G* model

  13. Patient-Specific Modeling of Interventricular Hemodynamics in Single Ventricle Physiology

    Science.gov (United States)

    Vedula, Vijay; Feinstein, Jeffrey; Marsden, Alison

    2016-11-01

    Single ventricle (SV) congenital heart defects, in which babies are born with only functional ventricle, lead to significant morbidity and mortality with over 30% of patients developing heart failure prior to adulthood. Newborns with SV physiology typically undergo three palliative surgeries, in which the SV becomes the systemic pumping chamber. Depending on which ventricle performs the systemic function, patients are classified as having either a single left ventricle (SLV) or a single right ventricle (SRV), with SRV patients at higher risk of failure. As the native right ventricles are not designed to meet systemic demands, they undergo remodeling leading to abnormal hemodynamics. The hemodynamic characteristics of SLVs compared with SRVs is not well established. We present a validated computational framework for performing patient-specific modeling of ventricular flows, and apply it across 6 SV patients (3SLV + 3SRV), comparing hemodynamic conditions between the two subgroups. Simulations are performed with a stabilized finite element method coupled with an immersed boundary method for modeling heart valves. We discuss identification of hemodynamic biomarkers of ventricular remodeling for early risk assessment of failure. This research is supported in part by the Stanford Child Health Research Institute and the Stanford NIH-NCATS-CTSA through Grant UL1 TR001085 and due to U.S. National Institute of Health through NIH NHLBI R01 Grants 5R01HL129727-02 and 5R01HL121754-03.

  14. Predicting risk for portal vein thrombosis in acute pancreatitis patients: A comparison of radical basis function artificial neural network and logistic regression models.

    Science.gov (United States)

    Fei, Yang; Hu, Jian; Gao, Kun; Tu, Jianfeng; Li, Wei-Qin; Wang, Wei

    2017-06-01

    To construct a radical basis function (RBF) artificial neural networks (ANNs) model to predict the incidence of acute pancreatitis (AP)-induced portal vein thrombosis. The analysis included 353 patients with AP who had admitted between January 2011 and December 2015. RBF ANNs model and logistic regression model were constructed based on eleven factors relevant to AP respectively. Statistical indexes were used to evaluate the value of the prediction in two models. The predict sensitivity, specificity, positive predictive value, negative predictive value and accuracy by RBF ANNs model for PVT were 73.3%, 91.4%, 68.8%, 93.0% and 87.7%, respectively. There were significant differences between the RBF ANNs and logistic regression models in these parameters (Plogistic regression model. D-dimer, AMY, Hct and PT were important prediction factors of approval for AP-induced PVT. Copyright © 2017 Elsevier Inc. All rights reserved.

  15. Concept for creating program-technical complex of safety monitoring with system of safety parameters presentation functions on the basis of routine WWER-1000 systems

    International Nuclear Information System (INIS)

    Dunaev, V.G.; Tarasov, M. V.; Povarov, P.V.

    2005-01-01

    Prerequisites of creating the software-hardware complex for reactor safety monitoring on the Volgodonsk NPP are analyzed and generalized. The concept of this complex is based on functions of the safety parameters presentation system. It will serve as an interface between operator and technological process and give to operator a possibility to estimate quickly the state of the safety of the nuclear power unit. The complex will be created on the basis of routine reactor monitoring and control systems intended for the WWER-1000 reactor. In addition to existing soft- and hard-wares for reactor monitoring and for analysis of technological archive, it is proposed to create and connect in parallel the new software-hardware complex which ensures calculation and presentation of generalized factors of reactor safety [ru

  16. Inverse Thermal Analysis of Ti-6Al-4V Friction Stir Welds Using Numerical-Analytical Basis Functions with Pseudo-Advection

    Science.gov (United States)

    Lambrakos, S. G.

    2018-04-01

    Inverse thermal analysis of Ti-6Al-4V friction stir welds is presented that demonstrates application of a methodology using numerical-analytical basis functions and temperature-field constraint conditions. This analysis provides parametric representation of friction-stir-weld temperature histories that can be adopted as input data to computational procedures for prediction of solid-state phase transformations and mechanical response. These parameterized temperature histories can be used for inverse thermal analysis of friction stir welds having process conditions similar those considered here. Case studies are presented for inverse thermal analysis of friction stir welds that use three-dimensional constraint conditions on calculated temperature fields, which are associated with experimentally measured transformation boundaries and weld-stir-zone cross sections.

  17. Cardiac function and perfusion dynamics measured on a beat-by-beat basis in the live mouse using ultra-fast 4D optoacoustic imaging

    Science.gov (United States)

    Ford, Steven J.; Deán-Ben, Xosé L.; Razansky, Daniel

    2015-03-01

    The fast heart rate (~7 Hz) of the mouse makes cardiac imaging and functional analysis difficult when studying mouse models of cardiovascular disease, and cannot be done truly in real-time and 3D using established imaging modalities. Optoacoustic imaging, on the other hand, provides ultra-fast imaging at up to 50 volumetric frames per second, allowing for acquisition of several frames per mouse cardiac cycle. In this study, we combined a recently-developed 3D optoacoustic imaging array with novel analytical techniques to assess cardiac function and perfusion dynamics of the mouse heart at high, 4D spatiotemporal resolution. In brief, the heart of an anesthetized mouse was imaged over a series of multiple volumetric frames. In another experiment, an intravenous bolus of indocyanine green (ICG) was injected and its distribution was subsequently imaged in the heart. Unique temporal features of the cardiac cycle and ICG distribution profiles were used to segment the heart from background and to assess cardiac function. The 3D nature of the experimental data allowed for determination of cardiac volumes at ~7-8 frames per mouse cardiac cycle, providing important cardiac function parameters (e.g., stroke volume, ejection fraction) on a beat-by-beat basis, which has been previously unachieved by any other cardiac imaging modality. Furthermore, ICG distribution dynamics allowed for the determination of pulmonary transit time and thus additional quantitative measures of cardiovascular function. This work demonstrates the potential for optoacoustic cardiac imaging and is expected to have a major contribution toward future preclinical studies of animal models of cardiovascular health and disease.

  18. Evolution of design considerations in complex craniofacial reconstruction using patient-specific implants.

    Science.gov (United States)

    Peel, Sean; Bhatia, Satyajeet; Eggbeer, Dominic; Morris, Daniel S; Hayhurst, Caroline

    2017-06-01

    Previously published evidence has established major clinical benefits from using computer-aided design, computer-aided manufacturing, and additive manufacturing to produce patient-specific devices. These include cutting guides, drilling guides, positioning guides, and implants. However, custom devices produced using these methods are still not in routine use, particularly by the UK National Health Service. Oft-cited reasons for this slow uptake include the following: a higher up-front cost than conventionally fabricated devices, material-choice uncertainty, and a lack of long-term follow-up due to their relatively recent introduction. This article identifies a further gap in current knowledge - that of design rules, or key specification considerations for complex computer-aided design/computer-aided manufacturing/additive manufacturing devices. This research begins to address the gap by combining a detailed review of the literature with first-hand experience of interdisciplinary collaboration on five craniofacial patient case studies. In each patient case, bony lesions in the orbito-temporal region were segmented, excised, and reconstructed in the virtual environment. Three cases translated these digital plans into theatre via polymer surgical guides. Four cases utilised additive manufacturing to fabricate titanium implants. One implant was machined from polyether ether ketone. From the literature, articles with relevant abstracts were analysed to extract design considerations. In all, 19 frequently recurring design considerations were extracted from previous publications. Nine new design considerations were extracted from the case studies - on the basis of subjective clinical evaluation. These were synthesised to produce a design considerations framework to assist clinicians with prescribing and design engineers with modelling. Promising avenues for further research are proposed.

  19. SU-E-T-114: Analysis of MLC Errors On Gamma Pass Rates for Patient-Specific and Conventional Phantoms

    Energy Technology Data Exchange (ETDEWEB)

    Sterling, D; Ehler, E [University of Minnesota, Minneapolis, MN (United States)

    2015-06-15

    Purpose: To evaluate whether a 3D patient-specific phantom is better able to detect known MLC errors in a clinically delivered treatment plan than conventional phantoms. 3D printing may make fabrication of such phantoms feasible. Methods: Two types of MLC errors were introduced into a clinically delivered, non-coplanar IMRT, partial brain treatment plan. First, uniformly distributed random errors of up to 3mm, 2mm, and 1mm were introduced into the MLC positions for each field. Second, systematic MLC-bank position errors of 5mm, 3.5mm, and 2mm due to simulated effects of gantry and MLC sag were introduced. The original plan was recalculated with these errors on the original CT dataset as well as cylindrical and planar IMRT QA phantoms. The original dataset was considered to be a perfect 3D patient-specific phantom. The phantoms were considered to be ideal 3D dosimetry systems with no resolution limitations. Results: Passing rates for Gamma Index (3%/3mm and no dose threshold) were calculated on the 3D phantom, cylindrical phantom, and both on a composite and field-by-field basis for the planar phantom. Pass rates for 5mm systematic and 3mm random error were 86.0%, 89.6%, 98% and 98.3% respectively. For 3.5mm systematic and 2mm random error the pass rates were 94.7%, 96.2%, 99.2% and 99.2% respectively. For 2mm systematic error with 1mm random error the pass rates were 99.9%, 100%, 100% and 100% respectively. Conclusion: A 3D phantom with the patient anatomy is able to discern errors, both severe and subtle, that are not seen using conventional phantoms. Therefore, 3D phantoms may be beneficial for commissioning new treatment machines and modalities, patient-specific QA and end-to-end testing.

  20. SU-E-T-114: Analysis of MLC Errors On Gamma Pass Rates for Patient-Specific and Conventional Phantoms

    International Nuclear Information System (INIS)

    Sterling, D; Ehler, E

    2015-01-01

    Purpose: To evaluate whether a 3D patient-specific phantom is better able to detect known MLC errors in a clinically delivered treatment plan than conventional phantoms. 3D printing may make fabrication of such phantoms feasible. Methods: Two types of MLC errors were introduced into a clinically delivered, non-coplanar IMRT, partial brain treatment plan. First, uniformly distributed random errors of up to 3mm, 2mm, and 1mm were introduced into the MLC positions for each field. Second, systematic MLC-bank position errors of 5mm, 3.5mm, and 2mm due to simulated effects of gantry and MLC sag were introduced. The original plan was recalculated with these errors on the original CT dataset as well as cylindrical and planar IMRT QA phantoms. The original dataset was considered to be a perfect 3D patient-specific phantom. The phantoms were considered to be ideal 3D dosimetry systems with no resolution limitations. Results: Passing rates for Gamma Index (3%/3mm and no dose threshold) were calculated on the 3D phantom, cylindrical phantom, and both on a composite and field-by-field basis for the planar phantom. Pass rates for 5mm systematic and 3mm random error were 86.0%, 89.6%, 98% and 98.3% respectively. For 3.5mm systematic and 2mm random error the pass rates were 94.7%, 96.2%, 99.2% and 99.2% respectively. For 2mm systematic error with 1mm random error the pass rates were 99.9%, 100%, 100% and 100% respectively. Conclusion: A 3D phantom with the patient anatomy is able to discern errors, both severe and subtle, that are not seen using conventional phantoms. Therefore, 3D phantoms may be beneficial for commissioning new treatment machines and modalities, patient-specific QA and end-to-end testing

  1. Nurses' Perceptions of Implementing Fall Prevention Interventions to Mitigate Patient-Specific Fall Risk Factors.

    Science.gov (United States)

    Wilson, Deleise S; Montie, Mary; Conlon, Paul; Reynolds, Margaret; Ripley, Robert; Titler, Marita G

    2016-08-01

    Evidence-based (EB) fall prevention interventions to mitigate patient-specific fall risk factors are readily available but not routinely used in practice. Few studies have examined nurses' perceptions about both the use of these EB interventions and implementation strategies designed to promote their adoption. This article reports qualitative findings of nurses' perceptions about use of EB fall prevention interventions to mitigate patient-specific fall risks, and implementation strategies to promote use of these interventions. The findings revealed five major themes: before-study fall prevention practices, use of EB fall prevention interventions tailored to patient-specific fall risk factors, beneficial implementation strategies, overall impact on approach to fall prevention, and challenges These findings are useful to guide nurses' engagement and use of EB fall prevention practices tailored to patient-specific fall risk factors. © The Author(s) 2016.

  2. Reconstruction with a patient-specific titanium implant after a wide anterior chest wall resection

    Science.gov (United States)

    Turna, Akif; Kavakli, Kuthan; Sapmaz, Ersin; Arslan, Hakan; Caylak, Hasan; Gokce, Hasan Suat; Demirkaya, Ahmet

    2014-01-01

    The reconstruction of full-thickness chest wall defects is a challenging problem for thoracic surgeons, particularly after a wide resection of the chest wall that includes the sternum. The location and the size of the defect play a major role when selecting the method of reconstruction, while acceptable cosmetic and functional results remain the primary goal. Improvements in preoperative imaging techniques and reconstruction materials have an important role when planning and performing a wide chest wall resection with a low morbidity rate. In this report, we describe the reconstruction of a wide anterior chest wall defect with a patient-specific custom-made titanium implant. An infected mammary tumour recurrence in a 62-year old female, located at the anterior chest wall including the sternum, was resected, followed by a large custom-made titanium implant. Latissimus dorsi flap and split-thickness graft were also used for covering the implant successfully. A titanium custom-made chest wall implant could be a viable alternative for patients who had large chest wall tumours. PMID:24227881

  3. Total knee arthroplasty using patient-specific blocks after prior femoral fracture without hardware removal

    Directory of Open Access Journals (Sweden)

    Raju Vaishya

    2018-01-01

    Full Text Available Background: The options to perform total knee arthroplasty (TKA with retained hardware in femur are mainly – removal of hardware, use of extramedullary guide, or computer-assisted surgery. Patient-specific blocks (PSBs have been introduced with many potential advantages, but their use in retained hardware has not been adequately explored. The purpose of the present study was to outline and assess the usefulness of the PSBs in performing TKA in patients with retained femoral hardware. Materials and Materials and Methods: Nine patients with retained femoral hardware underwent TKA using PSBs. All the surgeries were performed by the same surgeon using same implants. Nine cases (7 males and 2 females out of total of 120 primary TKA had retained hardware. The average age of the patients was 60.55 years. The retained hardware were 6 patients with nails, 2 with plates and one patient had screws. Out of the nine cases, only one patient needed removal of a screw which was hindering placement of pin for the PSB. Results: All the patients had significant improvement in their Knee Society Score (KSS which improved from 47.0 to postoperative KSS of 86.77 (P < 0.00. The mechanical axis was significantly improved (P < 0.03 after surgery. No patient required blood transfusion and the average tourniquet time was 41 min. Conclusion: TKA using PSBs is useful and can be used in patients with retained hardware with good functional and radiological outcome.

  4. A novel patient-specific model to compute coronary fractional flow reserve.

    Science.gov (United States)

    Kwon, Soon-Sung; Chung, Eui-Chul; Park, Jin-Seo; Kim, Gook-Tae; Kim, Jun-Woo; Kim, Keun-Hong; Shin, Eun-Seok; Shim, Eun Bo

    2014-09-01

    The fractional flow reserve (FFR) is a widely used clinical index to evaluate the functional severity of coronary stenosis. A computer simulation method based on patients' computed tomography (CT) data is a plausible non-invasive approach for computing the FFR. This method can provide a detailed solution for the stenosed coronary hemodynamics by coupling computational fluid dynamics (CFD) with the lumped parameter model (LPM) of the cardiovascular system. In this work, we have implemented a simple computational method to compute the FFR. As this method uses only coronary arteries for the CFD model and includes only the LPM of the coronary vascular system, it provides simpler boundary conditions for the coronary geometry and is computationally more efficient than existing approaches. To test the efficacy of this method, we simulated a three-dimensional straight vessel using CFD coupled with the LPM. The computed results were compared with those of the LPM. To validate this method in terms of clinically realistic geometry, a patient-specific model of stenosed coronary arteries was constructed from CT images, and the computed FFR was compared with clinically measured results. We evaluated the effect of a model aorta on the computed FFR and compared this with a model without the aorta. Computationally, the model without the aorta was more efficient than that with the aorta, reducing the CPU time required for computing a cardiac cycle to 43.4%. Copyright © 2014. Published by Elsevier Ltd.

  5. Patient-specific bronchoscopy visualization through BRDF estimation and disocclusion correction.

    Science.gov (United States)

    Chung, Adrian J; Deligianni, Fani; Shah, Pallav; Wells, Athol; Yang, Guang-Zhong

    2006-04-01

    This paper presents an image-based method for virtual bronchoscope with photo-realistic rendering. The technique is based on recovering bidirectional reflectance distribution function (BRDF) parameters in an environment where the choice of viewing positions, directions, and illumination conditions are restricted. Video images of bronchoscopy examinations are combined with patient-specific three-dimensional (3-D) computed tomography data through two-dimensional (2-D)/3-D registration and shading model parameters are then recovered by exploiting the restricted lighting configurations imposed by the bronchoscope. With the proposed technique, the recovered BRDF is used to predict the expected shading intensity, allowing a texture map independent of lighting conditions to be extracted from each video frame. To correct for disocclusion artefacts, statistical texture synthesis was used to recreate the missing areas. New views not present in the original bronchoscopy video are rendered by evaluating the BRDF with different viewing and illumination parameters. This allows free navigation of the acquired 3-D model with enhanced photo-realism. To assess the practical value of the proposed technique, a detailed visual scoring that involves both real and rendered bronchoscope images is conducted.

  6. Neural network of Gaussian radial basis functions applied to the problem of identification of nuclear accidents in a PWR nuclear power plant

    International Nuclear Information System (INIS)

    Gomes, Carla Regina; Canedo Medeiros, Jose Antonio Carlos

    2015-01-01

    Highlights: • It is presented a new method based on Artificial Neural Network (ANN) developed to deal with accident identification in PWR nuclear power plants. • Obtained results have shown the efficiency of the referred technique. • Results obtained with this method are as good as or even better to similar optimization tools available in the literature. - Abstract: The task of monitoring a nuclear power plant consists on determining, continuously and in real time, the state of the plant’s systems in such a way to give indications of abnormalities to the operators and enable them to recognize anomalies in system behavior. The monitoring is based on readings of a large number of meters and alarm indicators which are located in the main control room of the facility. On the occurrence of a transient or of an accident on the nuclear power plant, even the most experienced operators can be confronted with conflicting indications due to the interactions between the various components of the plant systems; since a disturbance of a system can cause disturbances on another plant system, thus the operator may not be able to distinguish what is cause and what is the effect. This cognitive overload, to which operators are submitted, causes a difficulty in understanding clearly the indication of an abnormality in its initial phase of development and in taking the appropriate and immediate corrective actions to face the system failure. With this in mind, computerized monitoring systems based on artificial intelligence that could help the operators to detect and diagnose these failures have been devised and have been the subject of research. Among the techniques that can be used in such development, radial basis functions (RBFs) neural networks play an important role due to the fact that they are able to provide good approximations to functions of a finite number of real variables. This paper aims to present an application of a neural network of Gaussian radial basis

  7. The Practice of Using the Discriminant Analysis of the Efficiency of Processes of Functioning of Agricultural Enterprises on the Basis of Indicators of the Constituent Parts of Performance

    Directory of Open Access Journals (Sweden)

    Burennikova Nataliia V.

    2018-02-01

    Full Text Available The article considers the practice of using the method of discriminant analysis to study effectiveness of the processes of functioning of enterprises on the basis of indicators of the constituent parts of performance on the example of specific agricultural enterprises of the grain products subcomplex. It is underlined that when using benchmarking (as a method of competitive analysis in many cases when researching the processes of functioning and development of enterprises (in particular, agricultural there is a need to distribute the studied objects into individual groups according to the main strategic priorities. It is specified that one of the methods used for such distribution is the classic discriminant analysis, which allows to define the quantitative boundary that distinguishes the group of enterprises-leaders from all other enterprises. It has been found that the determining factor in the use of the specified method is the choice of a number of indicators characterizing the objects and processes allocated by using benchmarking. This choice, in turn, requires implementation of an appropriate algorithms based on simulation. As these indicators serve the authors’ indicators of efficiency and scale product, selected as the constituent parts of the performance indicator, characterizing any process and its results from both the qualitative and the quantitative points of view. The authors’ own approaches to the method of grouping of objects and allocation of strategically important groups among them have been proposed.

  8. Vibration and buckling of orthotropic functionally graded micro-plates on the basis of a re-modified couple stress theory

    Directory of Open Access Journals (Sweden)

    Zihao Yang

    Full Text Available A microstructure-dependent model for the free vibration and buckling analysis of an orthotropic functionally graded micro-plate was proposed on the basis of a re-modified couple stress theory. The macro- and microscopic anisotropy were simultaneously taken into account by introducing two material length scale parameters. The material attributes were assumed to vary continuously through the thickness direction by a power law. The governing equations and corresponding boundary conditions were derived through Hamilton’s principle. The Navier method was used to calculate the natural frequencies and buckling loads of a simply supported micro-plate. The numerical results indicated that the present model predicts higher natural frequencies and critical buckling loads than the classical model, particular when the geometric size of the micro-plates is comparable to the material length scale parameters, i.e., the scale effect is well represented. The scale effect becomes more noticeable as the material length scale parameters increase, the anisotropy weaken or the power law index increases, and vice versa. Keywords: Free vibration, Buckling, Functionally graded materials, Modified couple stress theory, Scale effect

  9. A hybrid self-adaptive Particle Swarm Optimization–Genetic Algorithm–Radial Basis Function model for annual electricity demand prediction

    International Nuclear Information System (INIS)

    Yu, Shiwei; Wang, Ke; Wei, Yi-Ming

    2015-01-01

    Highlights: • A hybrid self-adaptive PSO–GA-RBF model is proposed for electricity demand prediction. • Each mixed-coding particle is composed by two coding parts of binary and real. • Five independent variables have been selected to predict future electricity consumption in Wuhan. • The proposed model has a simpler structure or higher estimating precision than other ANN models. • No matter what the scenario, the electricity consumption of Wuhan will grow rapidly. - Abstract: The present study proposes a hybrid Particle Swarm Optimization and Genetic Algorithm optimized Radial Basis Function (PSO–GA-RBF) neural network for prediction of annual electricity demand. In the model, each mixed-coding particle (or chromosome) is composed of two coding parts, binary and real, which optimizes the structure of the RBF by GA operation and the parameters of the basis and weights by a PSO–GA implementation. Five independent variables have been selected to predict future electricity consumption in Wuhan by using optimized networks. The results shows that (1) the proposed PSO–GA-RBF model has a simpler network structure (fewer hidden neurons) or higher estimation precision than other selected ANN models; and (2) no matter what the scenario, the electricity consumption of Wuhan will grow rapidly at average annual growth rates of about 9.7–11.5%. By 2020, the electricity demand in the planning scenario, the highest among the scenarios, will be 95.85 billion kW h. The lowest demand is estimated for the business-as-usual scenario, and will be 88.45 billion kW h

  10. Functional mapping of the neural basis for the encoding and retrieval of human episodic memory using H{sub 2}{sup 15}O PET

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jae Sung; Nam, Hyun Woo; Lee, Dong Soo; Lee, Sang Kun; Jang, Myoung Jin; Ahn, Ji Young; Park, Kwang Suk; Chung, June Key; Lee, Myung Chul [Seoul National Univ., Seoul (Korea, Republic of)

    2000-02-01

    Episodic memory is described as an 'autobiographical' memory responsible for storing a record of the events in our lives. We performed functional brain activation study using H{sub 2}{sup 1}5O PET to reveal the neural basis of the encoding and the retrieval of episodic memory in human normal volunteers. Four repeated H{sub 2}{sup 1}5O PET scans with two reference and two activation tasks were performed on 6 normal volunteers to activate brain areas engaged in encoding and retrieval with verbal materials. Images from the same subject were spatially registered and normalized using linear and nonlinear transformation. Using the means and variances for every condition which were adjusted with analysis of covariance, t-statistic analysis were performed voxel-wise. Encoding of episodic memory activated the opercular and triangular parts of left inferior frontal gyrus, right prefrontal cortex, medial frontal area, cingulate gyrus, posterior middle and inferior temporal gyri, and cerebellum, and both primary visual and visual association areas. Retrieval of episodic memory activated the triangular part of left inferior frontal gyrus and inferior temporal gyrus, right prefrontal cortex and medial temporal ares, and both cerebellum and primary visual and visual association areas. The activations in the opercular part of left inferior frontal gyrus and the right prefrontal cortex meant the essential role of these areas in the encoding and retrieval of episodic memeory. We could localize the neural basis of the encoding and retrieval of episodic memory using H{sub 2}{sup 1}5O PET, which was partly consistent with the hypothesis of hemispheric encoding/retrieval asymmetry.

  11. The effect of basis set and exchange-correlation functional on time-dependent density functional theory calculations within the Tamm-Dancoff approximation of the x-ray emission spectroscopy of transition metal complexes.

    Science.gov (United States)

    Roper, Ian P E; Besley, Nicholas A

    2016-03-21

    The simulation of X-ray emission spectra of transition metal complexes with time-dependent density functional theory (TDDFT) is investigated. X-ray emission spectra can be computed within TDDFT in conjunction with the Tamm-Dancoff approximation by using a reference determinant with a vacancy in the relevant core orbital, and these calculations can be performed using the frozen orbital approximation or with the relaxation of the orbitals of the intermediate core-ionised state included. Both standard exchange-correlation functionals and functionals specifically designed for X-ray emission spectroscopy are studied, and it is shown that the computed spectral band profiles are sensitive to the exchange-correlation functional used. The computed intensities of the spectral bands can be rationalised by considering the metal p orbital character of the valence molecular orbitals. To compute X-ray emission spectra with the correct energy scale allowing a direct comparison with experiment requires the relaxation of the core-ionised state to be included and the use of specifically designed functionals with increased amounts of Hartree-Fock exchange in conjunction with high quality basis sets. A range-corrected functional with increased Hartree-Fock exchange in the short range provides transition energies close to experiment and spectral band profiles that have a similar accuracy to those from standard functionals.

  12. Patient specific instrumentation in total knee arthroplasty: a state of the art

    Science.gov (United States)

    Mattei, Lorenzo; Pellegrino, Pietro; Bistolfi, Alessandro; Castoldi, Filippo

    2016-01-01

    Patient specific instrumentation (PSI) is a modern technique in total knee arthroplasty (TKA) aiming to facilitate the implant of the prosthesis. The customized cutting blocks of the PSI are generated from pre-operative three-dimensional model, using computed tomography (CT) or magnetic resonance imaging (MRI). A correct surgical plan is mandatory for a good surgical implant. The PSI guide takes into account any slight deformities or osteophytes and applies preoperative planning for bone resection, using the pre-determined implant size, position, and rotation. The apparent benefits of this technology are that neutral postoperative alignment is more reproducible, surgical time is decreased, and the entire procedure results more efficient and cost-effective. The use of PSI is indicated when advanced osteoarthritis, severe pain, and limited function/walking ability are present, such as in a standard instrumentation TKA. In addition to that, PSI finds its indication when intra-medullary guides cannot be used. For example, when there is a post-traumatic femoral deformity. Large debates have taken place about this topic during the last years and, at the moment, there is no consensus in literature regarding the accuracy and reliability of PSI as many studies have shown controversial and inconsistent results. Literature does not suggest PSI techniques as a gold standard in TKA, and therefore it cannot be recommended as a standard technique in standard, not complicated primary TKA. Moreover, literature does not underline any improvement in components alignment, surgical time, blood loss or functional outcomes. Nevertheless, many patients who underwent TKA suffered a previous trauma. In case of deformities, like femoral or tibial fractures healed with a malalignment, preoperative planning may result difficult, and some intra-operative technical difficulties can occur, such as the use of intra-medullar rod. In these selected cases, PSIs may be very useful to avoid errors in

  13. A stock market forecasting model combining two-directional two-dimensional principal component analysis and radial basis function neural network.

    Science.gov (United States)

    Guo, Zhiqiang; Wang, Huaiqing; Yang, Jie; Miller, David J

    2015-01-01

    In this paper, we propose and implement a hybrid model combining two-directional two-dimensional principal component analysis ((2D)2PCA) and a Radial Basis Function Neural Network (RBFNN) to forecast stock market behavior. First, 36 stock market technical variables are selected as the input features, and a sliding window is used to obtain the input data of the model. Next, (2D)2PCA is utilized to reduce the dimension of the data and extract its intrinsic features. Finally, an RBFNN accepts the data processed by (2D)2PCA to forecast the next day's stock price or movement. The proposed model is used on the Shanghai stock market index, and the experiments show that the model achieves a good level of fitness. The proposed model is then compared with one that uses the traditional dimension reduction method principal component analysis (PCA) and independent component analysis (ICA). The empirical results show that the proposed model outperforms the PCA-based model, as well as alternative models based on ICA and on the multilayer perceptron.

  14. Two-step superresolution approach for surveillance face image through radial basis function-partial least squares regression and locality-induced sparse representation

    Science.gov (United States)

    Jiang, Junjun; Hu, Ruimin; Han, Zhen; Wang, Zhongyuan; Chen, Jun

    2013-10-01

    Face superresolution (SR), or face hallucination, refers to the technique of generating a high-resolution (HR) face image from a low-resolution (LR) one with the help of a set of training examples. It aims at transcending the limitations of electronic imaging systems. Applications of face SR include video surveillance, in which the individual of interest is often far from cameras. A two-step method is proposed to infer a high-quality and HR face image from a low-quality and LR observation. First, we establish the nonlinear relationship between LR face images and HR ones, according to radial basis function and partial least squares (RBF-PLS) regression, to transform the LR face into the global face space. Then, a locality-induced sparse representation (LiSR) approach is presented to enhance the local facial details once all the global faces for each LR training face are constructed. A comparison of some state-of-the-art SR methods shows the superiority of the proposed two-step approach, RBF-PLS global face regression followed by LiSR-based local patch reconstruction. Experiments also demonstrate the effectiveness under both simulation conditions and some real conditions.

  15. Study on Magneto-Hydro-Dynamics Disturbance Signal Feature Classification Using Improved S-Transform Algorithm and Radial Basis Function Neural Network

    Directory of Open Access Journals (Sweden)

    Nan YU

    2014-09-01

    Full Text Available The interference signal in magneto-hydro-dynamics (MHD may be the disturbance from the power supply, the equipment itself, or the electromagnetic radiation. Interference signal mixed in normal signal, brings difficulties for signal analysis and processing. Recently proposed S-Transform algorithm combines advantages of short time Fourier transform and wavelet transform. It uses Fourier kernel and wavelet like Gauss window whose width is inversely proportional to the frequency. Therefore, S-Transform algorithm not only preserves the phase information of the signals but also has variable resolution like wavelet transform. This paper proposes a new method to establish a MHD signal classifier using S-transform algorithm and radial basis function neural network (RBFNN. Because RBFNN centers ascertained by k-means clustering algorithm probably are the local optimum, this paper analyzes the characteristics of k-means clustering algorithm and proposes an improved k-means clustering algorithm called GCW (Group-cluster-weight k-means clustering algorithm to improve the centers distribution. The experiment results show that the improvement greatly enhances the RBFNN performance.

  16. The numerical study and comparison of radial basis functions in applications of the dual reciprocity boundary element method to convection-diffusion problems

    Science.gov (United States)

    Chanthawara, Krittidej; Kaennakham, Sayan; Toutip, Wattana

    2016-02-01

    The methodology of Dual Reciprocity Boundary Element Method (DRBEM) is applied to the convection-diffusion problems and investigating its performance is our first objective of the work. Seven types of Radial Basis Functions (RBF); Linear, Thin-plate Spline, Cubic, Compactly Supported, Inverse Multiquadric, Quadratic, and that proposed by [12], were closely investigated in order to numerically compare their effectiveness drawbacks etc. and this is taken as our second objective. A sufficient number of simulations were performed covering as many aspects as possible. Varidated against both exacts and other numerical works, the final results imply strongly that the Thin-Plate Spline and Linear type of RBF are superior to others in terms of both solutions' quality and CPU-time spent while the Inverse Multiquadric seems to poorly yield the results. It is also found that DRBEM can perform relatively well at moderate level of convective force and as anticipated becomes unstable when the problem becomes more convective-dominated, as normally found in all classical mesh-dependence methods.

  17. Simultaneous determination of penicillin G salts by infrared spectroscopy: Evaluation of combining orthogonal signal correction with radial basis function-partial least squares regression

    Science.gov (United States)

    Talebpour, Zahra; Tavallaie, Roya; Ahmadi, Seyyed Hamid; Abdollahpour, Assem

    2010-09-01

    In this study, a new method for the simultaneous determination of penicillin G salts in pharmaceutical mixture via FT-IR spectroscopy combined with chemometrics was investigated. The mixture of penicillin G salts is a complex system due to similar analytical characteristics of components. Partial least squares (PLS) and radial basis function-partial least squares (RBF-PLS) were used to develop the linear and nonlinear relation between spectra and components, respectively. The orthogonal signal correction (OSC) preprocessing method was used to correct unexpected information, such as spectral overlapping and scattering effects. In order to compare the influence of OSC on PLS and RBF-PLS models, the optimal linear (PLS) and nonlinear (RBF-PLS) models based on conventional and OSC preprocessed spectra were established and compared. The obtained results demonstrated that OSC clearly enhanced the performance of both RBF-PLS and PLS calibration models. Also in the case of some nonlinear relation between spectra and component, OSC-RBF-PLS gave satisfactory results than OSC-PLS model which indicated that the OSC was helpful to remove extrinsic deviations from linearity without elimination of nonlinear information related to component. The chemometric models were tested on an external dataset and finally applied to the analysis commercialized injection product of penicillin G salts.

  18. Conjunction of radial basis function interpolator and artificial intelligence models for time-space modeling of contaminant transport in porous media

    Science.gov (United States)

    Nourani, Vahid; Mousavi, Shahram; Dabrowska, Dominika; Sadikoglu, Fahreddin

    2017-05-01

    As an innovation, both black box and physical-based models were incorporated into simulating groundwater flow and contaminant transport. Time series of groundwater level (GL) and chloride concentration (CC) observed at different piezometers of study plain were firstly de-noised by the wavelet-based de-noising approach. The effect of de-noised data on the performance of artificial neural network (ANN) and adaptive neuro-fuzzy inference system (ANFIS) was evaluated. Wavelet transform coherence was employed for spatial clustering of piezometers. Then for each cluster, ANN and ANFIS models were trained to predict GL and CC values. Finally, considering the predicted water heads of piezometers as interior conditions, the radial basis function as a meshless method which solves partial differential equations of GFCT, was used to estimate GL and CC values at any point within the plain where there is not any piezometer. Results indicated that efficiency of ANFIS based spatiotemporal model was more than ANN based model up to 13%.

  19. Generalized unscented Kalman filtering based radial basis function neural network for the prediction of ground radioactivity time series with missing data

    International Nuclear Information System (INIS)

    Wu Xue-Dong; Liu Wei-Ting; Zhu Zhi-Yu; Wang Yao-Nan

    2011-01-01

    On the assumption that random interruptions in the observation process are modeled by a sequence of independent Bernoulli random variables, we firstly generalize two kinds of nonlinear filtering methods with random interruption failures in the observation based on the extended Kalman filtering (EKF) and the unscented Kalman filtering (UKF), which were shortened as GEKF and GUKF in this paper, respectively. Then the nonlinear filtering model is established by using the radial basis function neural network (RBFNN) prototypes and the network weights as state equation and the output of RBFNN to present the observation equation. Finally, we take the filtering problem under missing observed data as a special case of nonlinear filtering with random intermittent failures by setting each missing data to be zero without needing to pre-estimate the missing data, and use the GEKF-based RBFNN and the GUKF-based RBFNN to predict the ground radioactivity time series with missing data. Experimental results demonstrate that the prediction results of GUKF-based RBFNN accord well with the real ground radioactivity time series while the prediction results of GEKF-based RBFNN are divergent. (geophysics, astronomy, and astrophysics)

  20. Antiferromagnetic vs. non-magnetic ε phase of solid oxygen. Periodic density functional theory studies using a localized atomic basis set and the role of exact exchange.

    Science.gov (United States)

    Ramírez-Solís, A; Zicovich-Wilson, C M; Hernández-Lamoneda, R; Ochoa-Calle, A J

    2017-01-25

    The question of the non-magnetic (NM) vs. antiferromagnetic (AF) nature of the ε phase of solid oxygen is a matter of great interest and continuing debate. In particular, it has been proposed that the ε phase is actually composed of two phases, a low-pressure AF ε 1 phase and a higher pressure NM ε 0 phase [Crespo et al., Proc. Natl. Acad. Sci. U. S. A., 2014, 111, 10427]. We address this problem through periodic spin-restricted and spin-polarized Kohn-Sham density functional theory calculations at pressures from 10 to 50 GPa using calibrated GGA and hybrid exchange-correlation functionals with Gaussian atomic basis sets. The two possible configurations for the antiferromagnetic (AF1 and AF2) coupling of the 0 ≤ S ≤ 1 O 2 molecules in the (O 2 ) 4 unit cell were studied. Full enthalpy-driven geometry optimizations of the (O 2 ) 4 unit cells were done to study the pressure evolution of the enthalpy difference between the non-magnetic and both antiferromagnetic structures. We also address the evolution of structural parameters and the spin-per-molecule vs. pressure. We find that the spin-less solution becomes more stable than both AF structures above 50 GPa and, crucially, the spin-less solution yields lattice parameters in much better agreement with experimental data at all pressures than the AF structures. The optimized AF2 broken-symmetry structures lead to large errors of the a and b lattice parameters when compared with experiments. The results for the NM model are in much better agreement with the experimental data than those found for both AF models and are consistent with a completely non-magnetic (O 2 ) 4 unit cell for the low-pressure regime of the ε phase.

  1. Patient-specific cardiovascular progenitor cells derived from integration-free induced pluripotent stem cells for vascular tissue regeneration.

    Science.gov (United States)

    Hu, Jiang; Wang, Yongyu; Jiao, Jiao; Liu, Zhongning; Zhao, Chao; Zhou, Zhou; Zhang, Zhanpeng; Forde, Kaitlynn; Wang, Lunchang; Wang, Jiangang; Baylink, David J; Zhang, Xiao-Bing; Gao, Shaorong; Yang, Bo; Chen, Y Eugene; Ma, Peter X

    2015-12-01

    Tissue-engineered blood vessels (TEBVs) are promising in regenerating a live vascular replacement. However, the vascular cell source is limited, and it is crucial to develop a scaffold that accommodates new type of vascular progenitor cells and facilitates in vivo lineage specification of the cells into functional vascular smooth muscle cells (VSMCs) to regenerate vascular tissue. In the present study, integration-free human induced pluripotent stem cells (hiPSCs) were established from patient peripheral blood mononuclear cells through episomal vector nucleofection of reprogramming factors. The established hiPSCs were then induced into mesoderm-originated cardiovascular progenitor cells (CVPCs) with a highly efficient directed lineage specification method. The derived CVPCs were demonstrated to be able to differentiate into functional VSMCs. Subcutaneous implantation of CVPCs seeded on macroporous nanofibrous poly(l-lactide) scaffolds led to in vivo VSMC lineage specification and matrix deposition inside the scaffolds. In summary, we established integration-free patient-specific hiPSCs from peripheral blood mononuclear cells, derived CVPCs through directed lineage specification, and developed an advanced scaffold for these progenitor cells to further differentiate in vivo into VSMCs and regenerate vascular tissue in a subcutaneous implantation model. This study has established an efficient patient-specific approach towards in vivo regeneration of vascular tissue. Copyright © 2015 Elsevier Ltd. All rights reserved.

  2. A retrospective analysis for patient-specific quality assurance of volumetric-modulated arc therapy plans

    International Nuclear Information System (INIS)

    Li, Guangjun; Wu, Kui; Peng, Guang; Zhang, Yingjie; Bai, Sen

    2014-01-01

    Volumetric-modulated arc therapy (VMAT) is now widely used clinically, as it is capable of delivering a highly conformal dose distribution in a short time interval. We retrospectively analyzed patient-specific quality assurance (QA) of VMAT and examined the relationships between the planning parameters and the QA results. A total of 118 clinical VMAT cases underwent pretreatment QA. All plans had 3-dimensional diode array measurements, and 69 also had ion chamber measurements. Dose distribution and isocenter point dose were evaluated by comparing the measurements and the treatment planning system (TPS) calculations. In addition, the relationship between QA results and several planning parameters, such as dose level, control points (CPs), monitor units (MUs), average field width, and average leaf travel, were also analyzed. For delivered dose distribution, a gamma analysis passing rate greater than 90% was obtained for all plans and greater than 95% for 100 of 118 plans with the 3%/3-mm criteria. The difference (mean ± standard deviation) between the point doses measured by the ion chamber and those calculated by TPS was 0.9% ± 2.0% for all plans. For all cancer sites, nasopharyngeal carcinoma and gastric cancer have the lowest and highest average passing rates, respectively. From multivariate linear regression analysis, the dose level (p = 0.001) and the average leaf travel (p < 0.001) showed negative correlations with the passing rate, and the average field width (p = 0.003) showed a positive correlation with the passing rate, all indicating a correlation between the passing rate and the plan complexity. No statistically significant correlation was found between MU or CP and the passing rate. Analysis of the results of dosimetric pretreatment measurements as a function of VMAT plan parameters can provide important information to guide the plan parameter setting and optimization in TPS

  3. A retrospective analysis for patient-specific quality assurance of volumetric-modulated arc therapy plans

    Energy Technology Data Exchange (ETDEWEB)

    Li, Guangjun [Radiation Physics Center, Cancer Center and State Key Laboratory of Biotherapy, West China Hospital, Sichuan University, Chengdu, Sichuan (China); Wu, Kui [Department of Radiotherapy, The Second Affiliated Hospital of Zhejiang University School of Medicine, Hangzhou, Zhejiang Province (China); Peng, Guang; Zhang, Yingjie [Radiation Physics Center, Cancer Center and State Key Laboratory of Biotherapy, West China Hospital, Sichuan University, Chengdu, Sichuan (China); Bai, Sen, E-mail: baisen@scu.edu.cn [Radiation Physics Center, Cancer Center and State Key Laboratory of Biotherapy, West China Hospital, Sichuan University, Chengdu, Sichuan (China)

    2014-01-01

    Volumetric-modulated arc therapy (VMAT) is now widely used clinically, as it is capable of delivering a highly conformal dose distribution in a short time interval. We retrospectively analyzed patient-specific quality assurance (QA) of VMAT and examined the relationships between the planning parameters and the QA results. A total of 118 clinical VMAT cases underwent pretreatment QA. All plans had 3-dimensional diode array measurements, and 69 also had ion chamber measurements. Dose distribution and isocenter point dose were evaluated by comparing the measurements and the treatment planning system (TPS) calculations. In addition, the relationship between QA results and several planning parameters, such as dose level, control points (CPs), monitor units (MUs), average field width, and average leaf travel, were also analyzed. For delivered dose distribution, a gamma analysis passing rate greater than 90% was obtained for all plans and greater than 95% for 100 of 118 plans with the 3%/3-mm criteria. The difference (mean ± standard deviation) between the point doses measured by the ion chamber and those calculated by TPS was 0.9% ± 2.0% for all plans. For all cancer sites, nasopharyngeal carcinoma and gastric cancer have the lowest and highest average passing rates, respectively. From multivariate linear regression analysis, the dose level (p = 0.001) and the average leaf travel (p < 0.001) showed negative correlations with the passing rate, and the average field width (p = 0.003) showed a positive correlation with the passing rate, all indicating a correlation between the passing rate and the plan complexity. No statistically significant correlation was found between MU or CP and the passing rate. Analysis of the results of dosimetric pretreatment measurements as a function of VMAT plan parameters can provide important information to guide the plan parameter setting and optimization in TPS.

  4. A retrospective analysis for patient-specific quality assurance of volumetric-modulated arc therapy plans.

    Science.gov (United States)

    Li, Guangjun; Wu, Kui; Peng, Guang; Zhang, Yingjie; Bai, Sen

    2014-01-01

    Volumetric-modulated arc therapy (VMAT) is now widely used clinically, as it is capable of delivering a highly conformal dose distribution in a short time interval. We retrospectively analyzed patient-specific quality assurance (QA) of VMAT and examined the relationships between the planning parameters and the QA results. A total of 118 clinical VMAT cases underwent pretreatment QA. All plans had 3-dimensional diode array measurements, and 69 also had ion chamber measurements. Dose distribution and isocenter point dose were evaluated by comparing the measurements and the treatment planning system (TPS) calculations. In addition, the relationship between QA results and several planning parameters, such as dose level, control points (CPs), monitor units (MUs), average field width, and average leaf travel, were also analyzed. For delivered dose distribution, a gamma analysis passing rate greater than 90% was obtained for all plans and greater than 95% for 100 of 118 plans with the 3%/3-mm criteria. The difference (mean ± standard deviation) between the point doses measured by the ion chamber and those calculated by TPS was 0.9% ± 2.0% for all plans. For all cancer sites, nasopharyngeal carcinoma and gastric cancer have the lowest and highest average passing rates, respectively. From multivariate linear regression analysis, the dose level (p = 0.001) and the average leaf travel (p < 0.001) showed negative correlations with the passing rate, and the average field width (p = 0.003) showed a positive correlation with the passing rate, all indicating a correlation between the passing rate and the plan complexity. No statistically significant correlation was found between MU or CP and the passing rate. Analysis of the results of dosimetric pretreatment measurements as a function of VMAT plan parameters can provide important information to guide the plan parameter setting and optimization in TPS. Copyright © 2014 American Association of Medical Dosimetrists. Published by

  5. Patient-specific parameter estimation in single-ventricle lumped circulation models under uncertainty

    Science.gov (United States)

    Schiavazzi, Daniele E.; Baretta, Alessia; Pennati, Giancarlo; Hsia, Tain-Yen; Marsden, Alison L.

    2017-01-01

    Summary Computational models of cardiovascular physiology can inform clinical decision-making, providing a physically consistent framework to assess vascular pressures and flow distributions, and aiding in treatment planning. In particular, lumped parameter network (LPN) models that make an analogy to electrical circuits offer a fast and surprisingly realistic method to reproduce the circulatory physiology. The complexity of LPN models can vary significantly to account, for example, for cardiac and valve function, respiration, autoregulation, and time-dependent hemodynamics. More complex models provide insight into detailed physiological mechanisms, but their utility is maximized if one can quickly identify patient specific parameters. The clinical utility of LPN models with many parameters will be greatly enhanced by automated parameter identification, particularly if parameter tuning can match non-invasively obtained clinical data. We present a framework for automated tuning of 0D lumped model parameters to match clinical data. We demonstrate the utility of this framework through application to single ventricle pediatric patients with Norwood physiology. Through a combination of local identifiability, Bayesian estimation and maximum a posteriori simplex optimization, we show the ability to automatically determine physiologically consistent point estimates of the parameters and to quantify uncertainty induced by errors and assumptions in the collected clinical data. We show that multi-level estimation, that is, updating the parameter prior information through sub-model analysis, can lead to a significant reduction in the parameter marginal posterior variance. We first consider virtual patient conditions, with clinical targets generated through model solutions, and second application to a cohort of four single-ventricle patients with Norwood physiology. PMID:27155892

  6. Methodologies for Development of Patient Specific Bone Models from Human Body CT Scans

    Science.gov (United States)

    Chougule, Vikas Narayan; Mulay, Arati Vinayak; Ahuja, Bharatkumar Bhagatraj

    2016-06-01

    This work deals with development of algorithm for physical replication of patient specific human bone and construction of corresponding implants/inserts RP models by using Reverse Engineering approach from non-invasive medical images for surgical purpose. In medical field, the volumetric data i.e. voxel and triangular facet based models are primarily used for bio-modelling and visualization, which requires huge memory space. On the other side, recent advances in Computer Aided Design (CAD) technology provides additional facilities/functions for design, prototyping and manufacturing of any object having freeform surfaces based on boundary representation techniques. This work presents a process to physical replication of 3D rapid prototyping (RP) physical models of human bone from various CAD modeling techniques developed by using 3D point cloud data which is obtained from non-invasive CT/MRI scans in DICOM 3.0 format. This point cloud data is used for construction of 3D CAD model by fitting B-spline curves through these points and then fitting surface between these curve networks by using swept blend techniques. This process also can be achieved by generating the triangular mesh directly from 3D point cloud data without developing any surface model using any commercial CAD software. The generated STL file from 3D point cloud data is used as a basic input for RP process. The Delaunay tetrahedralization approach is used to process the 3D point cloud data to obtain STL file. CT scan data of Metacarpus (human bone) is used as the case study for the generation of the 3D RP model. A 3D physical model of the human bone is generated on rapid prototyping machine and its virtual reality model is presented for visualization. The generated CAD model by different techniques is compared for the accuracy and reliability. The results of this research work are assessed for clinical reliability in replication of human bone in medical field.

  7. Development of patient specific cardiovascular models predicting dynamics in response to orthostatic stress challenges

    DEFF Research Database (Denmark)

    Ottesen, Johnny T.

    2013-01-01

    Physiological realistic models of the controlled cardiovascular system are constructed and validated against clinical data. Special attention is paid to the control of blood pressure, cerebral blood flow velocity, and heart rate during postural challenges, including sit-to-stand and head-up tilt....... This study describes development of patient specific models, and how sensitivity analysis and nonlinear optimization methods can be used to predict patient specific characteristics when analyzed using experimental data. Finally, we discuss how a given model can be used to understand physiological changes...

  8. Computational biomechanics for medicine fundamental science and patient-specific applications

    CERN Document Server

    Miller, Karol; Wittek, Adam; Nielsen, Poul

    2014-01-01

    One of the greatest challenges facing the computational engineering community is to extend the success of computational mechanics to fields outside traditional engineering, in particular to biology, the biomedical sciences, and medicine. The Computational Biomechanics for Medicine titles provide an opportunity for specialists in computational biomechanics to present their latest methodologies and advancements. This latest installment comprises nine of the latest developments in both fundamental science and patient-specific applications, from researchers in Australia, New Zealand, USA, UK, France, Ireland, and China. Some of the interesting topics discussed are: cellular mechanics; tumor growth and modeling; medical image analysis; and both patient-specific fluid dynamics and solid mechanics simulations.

  9. Patient-specific estimation of detailed cochlear shape from clinical CT images

    DEFF Research Database (Denmark)

    Kjer, H Martin; Fagertun, Jens; Wimmer, Wilhelm

    2018-01-01

    of the detailed patient-specific cochlear shape from CT images. From a collection of temporal bone [Formula: see text]CT images, we build a cochlear statistical deformation model (SDM), which is a description of how a human cochlea deforms to represent the observed anatomical variability. The model is used...... for regularization of a non-rigid image registration procedure between a patient CT scan and a [Formula: see text]CT image, allowing us to estimate the detailed patient-specific cochlear shape. We test the accuracy and precision of the predicted cochlear shape using both [Formula: see text]CT and CT images...

  10. Patient specific root-analogue dental implants – additive manufacturing and finite element analysis

    Directory of Open Access Journals (Sweden)

    Gattinger Johannes

    2016-09-01

    Full Text Available Aim of this study was to prove the possibility of manufacturing patient specific root analogue two-part (implant and abutment implants by direct metal laser sintering. The two-part implant design enables covered healing of the implant. Therefore, CT-scans of three patients are used for reverse engineering of the implants, abutments and crowns. Patient specific implants are manufactured and measured concerning dimensional accuracy and surface roughness. Impacts of occlusal forces are simulated via FEA and compared to those of standard implants.

  11. Analysis on effect of separation and purification of glycoprotein extracted from Camellia seeds and its functional activity as basis for the economic development of Camellia oleifera industry

    Directory of Open Access Journals (Sweden)

    Feng Aiguo

    2016-06-01

    Full Text Available Taking Camellia oleifera seeds as raw materials, this study explored extraction and purification of glycoprotein separated from Camellia seeds as well as its antitumor activity, aiming to provide a theoretical basis for the economic development of Camellia oleifera industry. Key impact factors of Camellia seed glycoprotein were extracted using buffer solution method and water extraction method and a regression model was set up. Methyl thiazolyl tetrazolium was used to evaluate the in vitro antitumor activity of glycoprotein extracted from Camellia seeds and Differential Scanning Calorimetry (DSC was used to measure its denaturation enthalpy value. Results indicated that protein and sugar yields were 8.96% and 17.05% respectively under optimal conditions when water extraction method was used. Crude glycoprotein extracted from Camellia oleifera had a certain inhibitory effect on human hepatoma cell HepG2, gastric cancer cell MGC-803 and breast cancer cell MCF-7 and crude glycoprotein extracted from Camellia oleifera by water-extraction and alcohol-precipitation method had a strong antitumor effect. Crude glycoprotein obtained in the two different ways was capable of scavenging DPPH, •OH and O2g- free radicals and also showed good reducing capacity. DSC measurement results revealed that specific rotation of COGP2a[α]n20${\\rm{COGP}}2{\\rm{a}}\\left[ \\alpha \\right]_n^{20} $ was - 32.5. Antitumor experiment in vitro showed that glycoprotein extracted from Camellia seeds in the two different ways had a certain inhibitory effect on HepG2, MGC-803 and MCF-7, which has important theoretical and realistic significances to promoting utilization value of camellia resources, strengthening Camellia oleifera’s comprehensive development and utilization of high added value as well as enriching types and functions of active glycoprotein.

  12. Predictive modelling of grain size distributions from marine electromagnetic profiling data using end-member analysis and a radial basis function network

    Science.gov (United States)

    Baasch, B.; M"uller, H.; von Dobeneck, T.

    2018-04-01

    In this work we present a new methodology to predict grain-size distributions from geophysical data. Specifically, electric conductivity and magnetic susceptibility of seafloor sediments recovered from electromagnetic profiling data are used to predict grain-size distributions along shelf-wide survey lines. Field data from the NW Iberian shelf are investigated and reveal a strong relation between the electromagnetic properties and grain-size distribution. The here presented workflow combines unsupervised and supervised machine learning techniques. Nonnegative matrix factorisation is used to determine grain-size end-members from sediment surface samples. Four end-members were found which well represent the variety of sediments in the study area. A radial-basis function network modified for prediction of compositional data is then used to estimate the abundances of these end-members from the electromagnetic properties. The end-members together with their predicted abundances are finally back transformed to grain-size distributions. A minimum spatial variation constraint is implemented in the training of the network to avoid overfitting and to respect the spatial distribution of sediment patterns. The predicted models are tested via leave-one-out cross-validation revealing high prediction accuracy with coefficients of determination (R2) between 0.76 and 0.89. The predicted grain-size distributions represent the well-known sediment facies and patterns on the NW Iberian shelf and provide new insights into their distribution, transition and dynamics. This study suggests that electromagnetic benthic profiling in combination with machine learning techniques is a powerful tool to estimate grain-size distribution of marine sediments.

  13. The capability of radial basis function to forecast the volume fractions of the annular three-phase flow of gas-oil-water.

    Science.gov (United States)

    Roshani, G H; Karami, A; Salehizadeh, A; Nazemi, E

    2017-11-01

    The problem of how to precisely measure the volume fractions of oil-gas-water mixtures in a pipeline remains as one of the main challenges in the petroleum industry. This paper reports the capability of Radial Basis Function (RBF) in forecasting the volume fractions in a gas-oil-water multiphase system. Indeed, in the present research, the volume fractions in the annular three-phase flow are measured based on a dual energy metering system including the 152 Eu and 137 Cs and one NaI detector, and then modeled by a RBF model. Since the summation of volume fractions are constant (equal to 100%), therefore it is enough for the RBF model to forecast only two volume fractions. In this investigation, three RBF models are employed. The first model is used to forecast the oil and water volume fractions. The next one is utilized to forecast the water and gas volume fractions, and the last one to forecast the gas and oil volume fractions. In the next stage, the numerical data obtained from MCNP-X code must be introduced to the RBF models. Then, the average errors of these three models are calculated and compared. The model which has the least error is picked up as the best predictive model. Based on the results, the best RBF model, forecasts the oil and water volume fractions with the mean relative error of less than 0.5%, which indicates that the RBF model introduced in this study ensures an effective enough mechanism to forecast the results. Copyright © 2017 Elsevier Ltd. All rights reserved.

  14. Dynamical basis set

    International Nuclear Information System (INIS)

    Blanco, M.; Heller, E.J.

    1985-01-01

    A new Cartesian basis set is defined that is suitable for the representation of molecular vibration-rotation bound states. The Cartesian basis functions are superpositions of semiclassical states generated through the use of classical trajectories that conform to the intrinsic dynamics of the molecule. Although semiclassical input is employed, the method becomes ab initio through the standard matrix diagonalization variational method. Special attention is given to classical-quantum correspondences for angular momentum. In particular, it is shown that the use of semiclassical information preferentially leads to angular momentum eigenstates with magnetic quantum number Vertical BarMVertical Bar equal to the total angular momentum J. The present method offers a reliable technique for representing highly excited vibrational-rotational states where perturbation techniques are no longer applicable

  15. Imaging, virtual planning, design, and production of patient-specific implants and clinical validation in craniomaxillofacial surgery.

    Science.gov (United States)

    Dérand, Per; Rännar, Lars-Erik; Hirsch, Jan-M

    2012-09-01

    The purpose of this article was to describe the workflow from imaging, via virtual design, to manufacturing of patient-specific titanium reconstruction plates, cutting guide and mesh, and its utility in connection with surgical treatment of acquired bone defects in the mandible using additive manufacturing by electron beam melting (EBM). Based on computed tomography scans, polygon skulls were created. Following that virtual treatment plans entailing free microvascular transfer of fibula flaps using patient-specific reconstruction plates, mesh, and cutting guides were designed. The design was based on the specification of a Compact UniLOCK 2.4 Large (Synthes(®), Switzerland). The obtained polygon plates were bent virtually round the reconstructed mandibles. Next, the resections of the mandibles were planned virtually. A cutting guide was outlined to facilitate resection, as well as plates and titanium mesh for insertion of bone or bone substitutes. Polygon plates and meshes were converted to stereolithography format and used in the software Magics for preparation of input files for the successive step, additive manufacturing. EBM was used to manufacture the customized implants in a biocompatible titanium grade, Ti6Al4V ELI. The implants and the cutting guide were cleaned and sterilized, then transferred to the operating theater, and applied during surgery. Commercially available software programs are sufficient in order to virtually plan for production of patient-specific implants. Furthermore, EBM-produced implants are fully usable under clinical conditions in reconstruction of acquired defects in the mandible. A good compliance between the treatment plan and the fit was demonstrated during operation. Within the constraints of this article, the authors describe a workflow for production of patient-specific implants, using EBM manufacturing. Titanium cutting guides, reconstruction plates for fixation of microvascular transfer of osteomyocutaneous bone grafts, and

  16. Cost of fuel cell systems on a mass basis as a function of production volume; Kosten von Brennstoffzellensystemen auf Massenbasis in Abhaengigkeit von der Absatzmenge

    Energy Technology Data Exchange (ETDEWEB)

    Werhahn, Johannes

    2009-07-01

    the basis of decision trees. A computer model was created for the mass-specific cost forecast and complemented by a function for assembly costs. The model was successfully applied and validated as part of work on various fuel cell systems. The work showed that the production costs of a fuel cell system can be determined with little effort, good modelling accuracy and high degree of detail by applying modified mass-specific cost forecasting. However, there is a restriction on applications in the light mass range. Apart from the dominant costs of the catalyst and the membrane, system components such as the pumps, compressors, heat exchangers and batteries are responsible for a large proportion of the production costs. (orig.)

  17. Patient-specific dosimetric endpoints based treatment plan quality control in radiotherapy

    International Nuclear Information System (INIS)

    Song, Ting; Zhou, Linghong; Staub, David; Chen, Mingli; Lu, Weiguo; Tian, Zhen; Jia, Xun; Li, Yongbao; Jiang, Steve B; Gu, Xuejun

    2015-01-01

    In intensity modulated radiotherapy (IMRT), the optimal plan for each patient is specific due to unique patient anatomy. To achieve such a plan, patient-specific dosimetric goals reflecting each patient’s unique anatomy should be defined and adopted in the treatment planning procedure for plan quality control. This study is to develop such a personalized treatment plan quality control tool by predicting patient-specific dosimetric endpoints (DEs). The incorporation of patient specific DEs is realized by a multi-OAR geometry-dosimetry model, capable of predicting optimal DEs based on the individual patient’s geometry. The overall quality of a treatment plan is then judged with a numerical treatment plan quality indicator and characterized as optimal or suboptimal. Taking advantage of clinically available prostate volumetric modulated arc therapy (VMAT) treatment plans, we built and evaluated our proposed plan quality control tool. Using our developed tool, six of twenty evaluated plans were identified as sub-optimal plans. After plan re-optimization, these suboptimal plans achieved better OAR dose sparing without sacrificing the PTV coverage, and the dosimetric endpoints of the re-optimized plans agreed well with the model predicted values, which validate the predictability of the proposed tool. In conclusion, the developed tool is able to accurately predict optimally achievable DEs of multiple OARs, identify suboptimal plans, and guide plan optimization. It is a useful tool for achieving patient-specific treatment plan quality control. (paper)

  18. Comment on “Drug Screening for ALS Using Patient-Specific Induced Pluripotent Stem Cells”

    Science.gov (United States)

    Bilican, Bilada; Serio, Andrea; Barmada, Sami J.; Nishimura, Agnes Lumi; Sullivan, Gareth J.; Carrasco, Monica; Phatnani, Hemali P.; Puddifoot, Clare A.; Story, David; Fletcher, Judy; Park, In-Hyun; Friedman, Brad A.; Daley, George Q.; Wyllie, David J. A.; Hardingham, Giles E.; Wilmut, Ian; Finkbeiner, Steven; Maniatis, Tom; Shaw, Christopher E.; Chandran, Siddharthan

    2014-01-01

    Egawa et al. recently showed the value of patient-specific induced pluripotent stem cells (iPSCs) for modeling amyotrophic lateral sclerosis in vitro. Their study and our work highlight the need for complementary assays to detect small, but potentially important, phenotypic differences between control iPSC lines and those carrying disease mutations. PMID:23740897

  19. Patient-specific cardiac phantom for clinical training and preprocedure surgical planning.

    Science.gov (United States)

    Laing, Justin; Moore, John; Vassallo, Reid; Bainbridge, Daniel; Drangova, Maria; Peters, Terry

    2018-04-01

    Minimally invasive mitral valve repair procedures including MitraClip ® are becoming increasingly common. For cases of complex or diseased anatomy, clinicians may benefit from using a patient-specific cardiac phantom for training, surgical planning, and the validation of devices or techniques. An imaging compatible cardiac phantom was developed to simulate a MitraClip ® procedure. The phantom contained a patient-specific cardiac model manufactured using tissue mimicking materials. To evaluate accuracy, the patient-specific model was imaged using computed tomography (CT), segmented, and the resulting point cloud dataset was compared using absolute distance to the original patient data. The result, when comparing the molded model point cloud to the original dataset, resulted in a maximum Euclidean distance error of 7.7 mm, an average error of 0.98 mm, and a standard deviation of 0.91 mm. The phantom was validated using a MitraClip ® device to ensure anatomical features and tools are identifiable under image guidance. Patient-specific cardiac phantoms may allow for surgical complications to be accounted for preoperative planning. The information gained by clinicians involved in planning and performing the procedure should lead to shorter procedural times and better outcomes for patients.

  20. Patient-specific metrics of invasiveness reveal significant prognostic benefit of resection in a predictable subset of gliomas.

    Directory of Open Access Journals (Sweden)

    Anne L Baldock

    Full Text Available Malignant gliomas are incurable, primary brain neoplasms noted for their potential to extensively invade brain parenchyma. Current methods of clinical imaging do not elucidate the full extent of brain invasion, making it difficult to predict which, if any, patients are likely to benefit from gross total resection. Our goal was to apply a mathematical modeling approach to estimate the overall tumor invasiveness on a patient-by-patient basis and determine whether gross total resection would improve survival in patients with relatively less invasive gliomas.In 243 patients presenting with contrast-enhancing gliomas, estimates of the relative invasiveness of each patient's tumor, in terms of the ratio of net proliferation rate of the glioma cells to their net dispersal rate, were derived by applying a patient-specific mathematical model to routine pretreatment MR imaging. The effect of varying degrees of extent of resection on overall survival was assessed for cohorts of patients grouped by tumor invasiveness.We demonstrate that patients with more diffuse tumors showed no survival benefit (P = 0.532 from gross total resection over subtotal/biopsy, while those with nodular (less diffuse tumors showed a significant benefit (P = 0.00142 with a striking median survival benefit of over eight months compared to sub-totally resected tumors in the same cohort (an 80% improvement in survival time for GTR only seen for nodular tumors.These results suggest that our patient-specific, model-based estimates of tumor invasiveness have clinical utility in surgical decision making. Quantification of relative invasiveness assessed from routinely obtained pre-operative imaging provides a practical predictor of the benefit of gross total resection.

  1. The effect of patient-specific factors on radiation-induced regional lung injury

    International Nuclear Information System (INIS)

    Garipagaoglu, Melahat; Munley, Michael T.; Hollis, Donna; Poulson, Jean M.; Bentel, Gunilla C.; Sibley, Gregory; Anscher, Mitchell S.; Fan Ming; Jaszczak, Ronald J.; Coleman, R. Edward; Marks, Lawrence B.

    1999-01-01

    Purpose: To assess the impact of patient-specific factors on radiation (RT)-induced reductions in regional lung perfusion. Methods: Fifty patients (32 lung carcinoma, 7 Hodgkin's disease, 9 breast carcinoma and 2 other thoracic tumors) had pre-RT and ≥24-week post-RT single photon emission computed tomography (SPECT) perfusion images to assess the dose dependence of RT-induced reductions in regional lung perfusion. The SPECT data were analyzed using a normalized and non-normalized approach. Furthermore, two different mathematical methods were used to assess the impact of patient-specific factors on the dose-response curve (DRC). First, DRCs for different patient subgroups were generated and compared. Second, in a more formal statistical approach, individual DRCs for regional lung injury for each patient were fit to a linear-quadratic model (reduction = coefficient 1 x dose + coefficient 2 x dose 2 ). Multiple patient-specific factors including tobacco history, pre-RT diffusion capacity to carbon monoxide (DLCO), transforming growth factor-beta (TGF-β), chemotherapy exposure, disease type, and mean lung dose were explored in a multivariate analysis to assess their impact on the coefficients. Results: None of the variables tested had a consistent impact on the radiation sensitivity of regional lung (i.e., the slope of the DRC). In the formal statistical analysis, there was a suggestion of a slight increase in radiation sensitivity in the dose range >40 Gy for nonsmokers (vs. smokers) and in those receiving chemotherapy (vs. no chemotherapy). However, this finding was very dependent on the specific statistical and normalization method used. Conclusion: Patient-specific factors do not have a dramatic effect on RT-induced reduction in regional lung perfusion. Additional studies are underway to better clarify this issue. We continue to postulate that patient-specific factors will impact on how the summation of regional injury translates into whole organ injury

  2. Systematic Review of Patient-Specific Surgical Simulation: Toward Advancing Medical Education.

    Science.gov (United States)

    Ryu, Won Hyung A; Dharampal, Navjit; Mostafa, Ahmed E; Sharlin, Ehud; Kopp, Gail; Jacobs, William Bradley; Hurlbert, Robin John; Chan, Sonny; Sutherland, Garnette R

    Simulation-based education has been shown to be an effective tool to teach foundational technical skills in various surgical specialties. However, most of the current simulations are limited to generic scenarios and do not allow continuation of the learning curve beyond basic technical skills to prepare for more advanced expertise, such as patient-specific surgical planning. The objective of this study was to evaluate the current medical literature with respect to the utilization and educational value of patient-specific simulations for surgical training. We performed a systematic review of the literature using Pubmed, Embase, and Scopus focusing on themes of simulation, patient-specific, surgical procedure, and education. The study included randomized controlled trials, cohort studies, and case-control studies published between 2005 and 2016. Two independent reviewers (W.H.R. and N.D) conducted the study appraisal, data abstraction, and quality assessment of the studies. The search identified 13 studies that met the inclusion criteria; 7 studies employed computer simulations and 6 studies used 3-dimensional (3D) synthetic models. A number of surgical specialties evaluated patient-specific simulation, including neurosurgery, vascular surgery, orthopedic surgery, and interventional radiology. However, most studies were small in size and primarily aimed at feasibility assessments and early validation. Early evidence has shown feasibility and utility of patient-specific simulation for surgical education. With further development of this technology, simulation-based education may be able to support training of higher-level competencies outside the clinical settingto aid learners in their development of surgical skills. Copyright © 2017 Association of Program Directors in Surgery. Published by Elsevier Inc. All rights reserved.

  3. Estimation of left ventricular blood flow parameters: clinical application of patient-specific CFD simulations from 4D echocardiography

    Science.gov (United States)

    Larsson, David; Spühler, Jeannette H.; Günyeli, Elif; Weinkauf, Tino; Hoffman, Johan; Colarieti-Tosti, Massimiliano; Winter, Reidar; Larsson, Matilda

    2017-03-01

    Echocardiography is the most commonly used image modality in cardiology, assessing several aspects of cardiac viability. The importance of cardiac hemodynamics and 4D blood flow motion has recently been highlighted, however such assessment is still difficult using routine echo-imaging. Instead, combining imaging with computational fluid dynamics (CFD)-simulations has proven valuable, but only a few models have been applied clinically. In the following, patient-specific CFD-simulations from transthoracic dobutamin stress echocardiography have been used to analyze the left ventricular 4D blood flow in three subjects: two with normal and one with reduced left ventricular function. At each stress level, 4D-images were acquired using a GE Vivid E9 (4VD, 1.7MHz/3.3MHz) and velocity fields simulated using a presented pathway involving endocardial segmentation, valve position identification, and solution of the incompressible Navier-Stokes equation. Flow components defined as direct flow, delayed ejection flow, retained inflow, and residual volume were calculated by particle tracing using 4th-order Runge-Kutta integration. Additionally, systolic and diastolic average velocity fields were generated. Results indicated no major changes in average velocity fields for any of the subjects. For the two subjects with normal left ventricular function, increased direct flow, decreased delayed ejection flow, constant retained inflow, and a considerable drop in residual volume was seen at increasing stress. Contrary, for the subject with reduced left ventricular function, the delayed ejection flow increased whilst the retained inflow decreased at increasing stress levels. This feasibility study represents one of the first clinical applications of an echo-based patient-specific CFD-model at elevated stress levels, and highlights the potential of using echo-based models to capture highly transient flow events, as well as the ability of using simulation tools to study clinically complex

  4. Patient-Specific Dosimetry and Radiobiological Modeling of Targeted Radionuclide Therapy Grant - final report

    Energy Technology Data Exchange (ETDEWEB)

    George Sgouros, Ph.D.

    2007-03-20

    radionuclide therapy to obtain normal organ and tumor dose vs. response correlations. Completion of the aims outlined above will make it possible to perform patient-specific dosimetry that incorporates considerations likely to provide robust dose-response relationships. Such an advance will improve targeted radionuclide therapy by making it possible to adopt treatment planning methodologies.

  5. [High-frequency rotation sensation function damage of the crista of the horizontal semicircular canal induced by gentamicin and its morphological basis.].

    Science.gov (United States)

    Chen, Liang; He, Ming; Wang, Wu-Qing

    2009-12-25

    The goal of the present study was to explore high-frequency rotation sensation function damage of the crista of the horizontal semicircular canal induced by gentamicin and its morphological basis. The guinea pigs were randomly divided into four groups (group 1, 2, 3 and control group, n=20). The animals of treated groups received gentamicin subcutaneously (50 mg/kg per day) for 1 week (group 1), 2 weeks (group 2) and 3 weeks (group 3), respectively. The animals of control group were administered with equal volume of saline subcutaneously. Videonystagmography (VNG) evoked by ice water or high-frequency rotations, and vestibular evoked potential (VsEP) evoked by low- and high-frequency rotations were recorded after the administration. After VNG and VsEP were examined, the cristae of the horizontal semicircular canals were prepared for scanning and transmission electron microscopy. The results are as follows: (1) In VNG examination, after ice water stimulation, no obvious nystagmus was observed in the animals of group 3, and there was no significant difference in nystagmus frequency and duration among group 1, 2 and control group (P>0.05). After high- frequency rotations, no obvious nystagmus was yet observed in the animals of group 3. There were significant differences in the nystagmus frequency and duration of the VNG waves between the experimental group 2 and control group (P0.05). (2) In VsEP examination, there was no significant difference in the parameters of VsEP among group 1, 2 and control group (P>0.05), and VsEP was not observed in group 3 after low-frequency rotations. After high- frequency rotations, compared with control group, the latencies and amplitudes of P1 and P2 in group 2 significantly decreased (P0.05). Group 3 had no response of VsEP to high-frequency rotations. (3) Electron microscopy was used to observe the crista hair cells of the four groups. In control group, the hair cells were normal. In group 1, almost normal appearance with slight

  6. Patient-specific surgical simulator for the pre-operative planning of single-incision laparoscopic surgery with bimanual robots.

    Science.gov (United States)

    Turini, Giuseppe; Moglia, Andrea; Ferrari, Vincenzo; Ferrari, Mauro; Mosca, Franco

    2012-01-01

    The trend of surgical robotics is to follow the evolution of laparoscopy, which is now moving towards single-incision laparoscopic surgery. The main drawback of this approach is the limited maneuverability of the surgical tools. Promising solutions to improve the surgeon's dexterity are based on bimanual robots. However, since both robot arms are completely inserted into the patient's body, issues related to possible unwanted collisions with structures adjacent to the target organ may arise. This paper presents a simulator based on patient-specific data for the positioning and workspace evaluation of bimanual surgical robots in the pre-operative planning of single-incision laparoscopic surgery. The simulator, designed for the pre-operative planning of robotic laparoscopic interventions, was tested by five expert surgeons who evaluated its main functionalities and provided an overall rating for the system. The proposed system demonstrated good performance and usability, and was designed to integrate both present and future bimanual surgical robots.

  7. Evaluation of a patient specific femoral alignment guide for hip resurfacing.

    Science.gov (United States)

    Olsen, Michael; Naudie, Douglas D; Edwards, Max R; Sellan, Michael E; McCalden, Richard W; Schemitsch, Emil H

    2014-03-01

    A novel alternative to conventional instrumentation for femoral component insertion in hip resurfacing is a patient specific, computed tomography based femoral alignment guide. A benchside study using cadaveric femora was performed comparing a custom alignment guide to conventional instrumentation and computer navigation. A clinical series of twenty-five hip resurfacings utilizing a custom alignment guide was conducted by three surgeons experienced in hip resurfacing. Using cadaveric femora, the custom guide was comparable to conventional instrumentation with computer navigation proving superior to both. Clinical femoral component alignment accuracy was 3.7° and measured within ± 5° of plan in 20 of 24 cases. Patient specific femoral alignment guides provide a satisfactory level of accuracy and may be a better alternative to conventional instrumentation for initial femoral guidewire placement in hip resurfacing. Crown Copyright © 2014. All rights reserved.

  8. Conventional patient specific IMRT QA and 3DVH verification of dose distribution for helical tomotherapy

    International Nuclear Information System (INIS)

    Sharma, Prabhat Krishna; Joshi, Kishore; Epili, D.; Gavake, Umesh; Paul, Siji; Reena, Ph.; Jamema, S.V.

    2016-01-01

    In recent years, patient-specific IMRT QA has transitioned from point dose measurements by ion chambers to films to 2D array measurements. 3DVH software has taken this transition a step further by estimating the 3D dose delivered to the patient volume from 2D diode measurements using a planned dose perturbation (PDP) algorithm. This algorithm was developed to determine, if the conventional IMRT QA though sensitive at detecting errors, has any predictive power in detecting dose errors of clinical significance related to dose to the target volume and organs at risk (OAR). The aim of this study is to compare the conventional IMRT patient specific QA and 3DVH dose distribution for patients treated with helical tomotherapy (HT)

  9. Numerical methods for polyline-to-point-cloud registration with applications to patient-specific stent reconstruction.

    Science.gov (United States)

    Lin, Claire Yilin; Veneziani, Alessandro; Ruthotto, Lars

    2018-03-01

    We present novel numerical methods for polyline-to-point-cloud registration and their application to patient-specific modeling of deployed coronary artery stents from image data. Patient-specific coronary stent reconstruction is an important challenge in computational hemodynamics and relevant to the design and improvement of the prostheses. It is an invaluable tool in large-scale clinical trials that computationally investigate the effect of new generations of stents on hemodynamics and eventually tissue remodeling. Given a point cloud of strut positions, which can be extracted from images, our stent reconstruction method aims at finding a geometrical transformation that aligns a model of the undeployed stent to the point cloud. Mathematically, we describe the undeployed stent as a polyline, which is a piecewise linear object defined by its vertices and edges. We formulate the nonlinear registration as an optimization problem whose objective function consists of a similarity measure, quantifying the distance between the polyline and the point cloud, and a regularization functional, penalizing undesired transformations. Using projections of points onto the polyline structure, we derive novel distance measures. Our formulation supports most commonly used transformation models including very flexible nonlinear deformations. We also propose 2 regularization approaches ensuring the smoothness of the estimated nonlinear transformation. We demonstrate the potential of our methods using an academic 2D example and a real-life 3D bioabsorbable stent reconstruction problem. Our results show that the registration problem can be solved to sufficient accuracy within seconds using only a few number of Gauss-Newton iterations. Copyright © 2017 John Wiley & Sons, Ltd.

  10. Guidelines for patient-specific jawline definition with titanium implants in esthetic, deformity, and malformation surgery

    OpenAIRE

    Mommaerts, Maurice Yves

    2016-01-01

    Context: Asymmetry and unfavorable esthetics of the jawline have become possible to correct in three dimensions using computer aided design and computer aided manufacturing. Aims: The aim of this study was to provide esthetic, technical, and operative guidelines for mandibular angle and border augmentation using patient-specific titanium implants made by selective laser melting. Settings and Design: University hospital - prospective registry. Subjects and Methods: Twelve patients and 17 impla...

  11. Tolerance design of patient-specific range QA using the DMAIC framework in proton therapy.

    Science.gov (United States)

    Rah, Jeong-Eun; Shin, Dongho; Manger, Ryan P; Kim, Tae Hyun; Oh, Do Hoon; Kim, Dae Yong; Kim, Gwe-Ya

    2018-02-01

    To implement the DMAIC (Define-Measure-Analyze-Improve-Control) can be used for customizing the patient-specific QA by designing site-specific range tolerances. The DMAIC framework (process flow diagram, cause and effect, Pareto chart, control chart, and capability analysis) were utilized to determine the steps that need focus for improving the patient-specific QA. The patient-specific range QA plans were selected according to seven treatment site groups, a total of 1437 cases. The process capability index, C pm was used to guide the tolerance design of patient site-specific range. For prostate field, our results suggested that the patient range measurements were capable at the current tolerance level of ±1 mm in clinical proton plans. For other site-specific ranges, we analyzed that the tolerance tends to be overdesigned to insufficient process capability calculated by the patient-specific QA data. The customized tolerances were calculated for treatment sites. Control charts were constructed to simulate the patient QA time before and after the new tolerances were implemented. It is found that the total simulation QA time was decreased on average of approximately 20% after establishing new site-specific range tolerances. We simulated the financial impact of this project. The QA failure for whole process in proton therapy would lead up to approximately 30% increase in total cost. DMAIC framework can be used to provide an effective QA by setting customized tolerances. When tolerance design is customized, the quality is reasonably balanced with time and cost demands. © 2017 American Association of Physicists in Medicine.

  12. A 4D digital phantom for patient-specific simulation of brain CT perfusion protocols.

    Science.gov (United States)

    van den Boom, Rieneke; Manniesing, Rashindra; Oei, Marcel T H; van der Woude, Willem-Jan; Smit, Ewoud J; Laue, Hendrik O A; van Ginneken, Bram; Prokop, Mathias

    2014-07-01

    Optimizing CT brain perfusion protocols is a challenge because of the complex interaction between image acquisition, calculation of perfusion data, and patient hemodynamics. Several digital phantoms have been developed to avoid unnecessary patient exposure or suboptimum choice of parameters. The authors expand this idea by using realistic noise patterns and measured tissue attenuation curves representing patient-specific hemodynamics. The purpose of this work is to validate that this approach can realistically simulate mean perfusion values and noise on perfusion data for individual patients. The proposed 4D digital phantom consists of three major components: (1) a definition of the spatial structure of various brain tissues within the phantom, (2) measured tissue attenuation curves, and (3) measured noise patterns. Tissue attenuation curves were measured in patient data using regions of interest in gray matter and white matter. By assigning the tissue attenuation curves to the corresponding tissue curves within the phantom, patient-specific CTP acquisitions were retrospectively simulated. Noise patterns were acquired by repeatedly scanning an anthropomorphic skull phantom at various exposure settings. The authors selected 20 consecutive patients that were scanned for suspected ischemic stroke and constructed patient-specific 4D digital phantoms using the individual patients' hemodynamics. The perfusion maps of the patient data were compared with the digital phantom data. Agreement between phantom- and patient-derived data was determined for mean perfusion values and for standard deviation in de perfusion data using intraclass correlation coefficients (ICCs) and a linear fit. ICCs ranged between 0.92 and 0.99 for mean perfusion values. ICCs for the standard deviation in perfusion maps were between 0.86 and 0.93. Linear fitting yielded slope values between 0.90 and 1.06. A patient-specific 4D digital phantom allows for realistic simulation of mean values and

  13. Magnetic resonance imaging of the ear for patient-specific reconstructive surgery.

    Directory of Open Access Journals (Sweden)

    Luc Nimeskern

    Full Text Available INTRODUCTION: Like a fingerprint, ear shape is a unique personal feature that should be reconstructed with a high fidelity during reconstructive surgery. Ear cartilage tissue engineering (TE advantageously offers the possibility to use novel 3D manufacturing techniques to reconstruct the ear, thus allowing for a detailed auricular shape. However it also requires detailed patient-specific images of the 3D cartilage structures of the patient's intact contralateral ear (if available. Therefore the aim of this study was to develop and evaluate an imaging strategy for acquiring patient-specific ear cartilage shape, with sufficient precision and accuracy for use in a clinical setting. METHODS AND MATERIALS: Magnetic resonance imaging (MRI was performed on 14 volunteer and six cadaveric auricles and manually segmented. Reproducibility of cartilage volume (Cg.V, surface (Cg.S and thickness (Cg.Th was assessed, to determine whether raters could repeatedly define the same volume of interest. Additionally, six cadaveric auricles were harvested, scanned and segmented using the same procedure, then dissected and scanned using high resolution micro-CT. Correlation between MR and micro-CT measurements was assessed to determine accuracy. RESULTS: Good inter- and intra-rater reproducibility was observed (precision errors 0.82, but low for Cg.Th (0.95 demonstrated high accuracy. DISCUSSION AND CONCLUSION: This study demonstrated that precision and accuracy of the proposed method was high enough to detect patient-specific variation in ear cartilage geometry. The present study provides a clinical strategy to access the necessary information required for the production of 3D ear scaffolds for TE purposes, including detailed patient-specific shape. Furthermore, the protocol is applicable in daily clinical practice with existing infrastructure.

  14. Coupling of EIT with computational lung modeling for predicting patient-specific ventilatory responses.

    Science.gov (United States)

    Roth, Christian J; Becher, Tobias; Frerichs, Inéz; Weiler, Norbert; Wall, Wolfgang A

    2017-04-01

    Providing optimal personalized mechanical ventilation for patients with acute or chronic respiratory failure is still a challenge within a clinical setting for each case anew. In this article, we integrate electrical impedance tomography (EIT) monitoring into a powerful patient-specific computational lung model to create an approach for personalizing protective ventilatory treatment. The underlying computational lung model is based on a single computed tomography scan and able to predict global airflow quantities, as well as local tissue aeration and strains for any ventilation maneuver. For validation, a novel "virtual EIT" module is added to our computational lung model, allowing to simulate EIT images based on the patient's thorax geometry and the results of our numerically predicted tissue aeration. Clinically measured EIT images are not used to calibrate the computational model. Thus they provide an independent method to validate the computational predictions at high temporal resolution. The performance of this coupling approach has been tested in an example patient with acute respiratory distress syndrome. The method shows good agreement between computationally predicted and clinically measured airflow data and EIT images. These results imply that the proposed framework can be used for numerical prediction of patient-specific responses to certain therapeutic measures before applying them to an actual patient. In the long run, definition of patient-specific optimal ventilation protocols might be assisted by computational modeling. NEW & NOTEWORTHY In this work, we present a patient-specific computational lung model that is able to predict global and local ventilatory quantities for a given patient and any selected ventilation protocol. For the first time, such a predictive lung model is equipped with a virtual electrical impedance tomography module allowing real-time validation of the computed results with the patient measurements. First promising results

  15. A Patient-Specific Airway Branching Model for Mechanically Ventilated Patients

    Directory of Open Access Journals (Sweden)

    Nor Salwa Damanhuri

    2014-01-01

    Full Text Available Background. Respiratory mechanics models have the potential to guide mechanical ventilation. Airway branching models (ABMs were developed from classical fluid mechanics models but do not provide accurate models of in vivo behaviour. Hence, the ABM was improved to include patient-specific parameters and better model observed behaviour (ABMps. Methods. The airway pressure drop of the ABMps was compared with the well-accepted dynostatic algorithm (DSA in patients diagnosed with acute respiratory distress syndrome (ARDS. A scaling factor (α was used to equate the area under the pressure curve (AUC from the ABMps to the AUC of the DSA and was linked to patient state. Results. The ABMps recorded a median α value of 0.58 (IQR: 0.54–0.63; range: 0.45–0.66 for these ARDS patients. Significantly lower α values were found for individuals with chronic obstructive pulmonary disease (P<0.001. Conclusion. The ABMps model allows the estimation of airway pressure drop at each bronchial generation with patient-specific physiological measurements and can be generated from data measured at the bedside. The distribution of patient-specific α values indicates that the overall ABM can be readily improved to better match observed data and capture patient condition.

  16. 3D-Printed Patient-Specific ACL Femoral Tunnel Guide from MRI.

    Science.gov (United States)

    Rankin, Iain; Rehman, Haroon; Frame, Mark

    2018-01-01

    Traditional ACL reconstruction with non-anatomic techniques can demonstrate unsatisfactory long-term outcomes with regards instability and the degenerative knee changes observed with these results. Anatomic ACL reconstruction attempts to closely reproduce the patient's individual anatomic characteristics with the aim of restoring knee kinematics, in order to improve patient short and long-term outcomes. We designed an arthroscopic, patient-specific, ACL femoral tunnel guide to aid anatomical placement of the ACL graft within the femoral tunnel. The guide design was based on MRI scan of the subject's uninjured contralateral knee, identifying the femoral footprint and its anatomical position relative to the borders of the femoral articular cartilage. Image processing software was used to create a 3D computer aided design which was subsequently exported to a 3D-printing service. Transparent acrylic based photopolymer, PA220 plastic and 316L stainless steel patient-specific ACL femoral tunnel guides were created; the models produced were accurate with no statistical difference in size and positioning of the center of the ACL femoral footprint guide to MRI ( p =0.344, p =0.189, p =0.233 respectively). The guides aim to provide accurate marking of the starting point of the femoral tunnel in arthroscopic ACL reconstruction. This study serves as a proof of concept for the accurate creation of 3D-printed patient-specific guides for the anatomical placement of the femoral tunnel during ACL reconstruction.

  17. From 4D medical images (CT, MRI, and Ultrasound) to 4D structured mesh models of the left ventricular endocardium for patient-specific simulations

    OpenAIRE

    Canè, Federico; Verhegghe, Benedict; De Beule, Matthieu; Bertrand, Philippe B.; Van der Geest, Rob J.; Segers, Patrick; De Santis, Gianluca

    2018-01-01

    With cardiovascular disease (CVD) remaining the primary cause of death worldwide, early detection of CVDs becomes essential. The intracardiac flow is an important component of ventricular function, motion kinetics, wash-out of ventricular chambers, and ventricular energetics. Coupling between Computational Fluid Dynamics (CFD) simulations and medical images can play a fundamental role in terms of patient-specific diagnostic tools. From a technical perspective, CFD simulations with moving boun...

  18. Contour interpolated radial basis functions with spline boundary correction for fast 3D reconstruction of the human articular cartilage from MR images

    International Nuclear Information System (INIS)

    Javaid, Zarrar; Unsworth, Charles P.; Boocock, Mark G.; McNair, Peter J.

    2016-01-01

    Purpose: The aim of this work is to demonstrate a new image processing technique that can provide a “near real-time” 3D reconstruction of the articular cartilage of the human knee from MR images which is user friendly. This would serve as a point-of-care 3D visualization tool which would benefit a consultant radiologist in the visualization of the human articular cartilage. Methods: The authors introduce a novel fusion of an adaptation of the contour method known as “contour interpolation (CI)” with radial basis functions (RBFs) which they describe as “CI-RBFs.” The authors also present a spline boundary correction which further enhances volume estimation of the method. A subject cohort consisting of 17 right nonpathological knees (ten female and seven male) is assessed to validate the quality of the proposed method. The authors demonstrate how the CI-RBF method dramatically reduces the number of data points required for fitting an implicit surface to the entire cartilage, thus, significantly improving the speed of reconstruction over the comparable RBF reconstruction method of Carr. The authors compare the CI-RBF method volume estimation to a typical commercial package (3D DOCTOR), Carr’s RBF method, and a benchmark manual method for the reconstruction of the femoral, tibial, and patellar cartilages. Results: The authors demonstrate how the CI-RBF method significantly reduces the number of data points (p-value < 0.0001) required for fitting an implicit surface to the cartilage, by 48%, 31%, and 44% for the patellar, tibial, and femoral cartilages, respectively. Thus, significantly improving the speed of reconstruction (p-value < 0.0001) by 39%, 40%, and 44% for the patellar, tibial, and femoral cartilages over the comparable RBF model of Carr providing a near real-time reconstruction of 6.49, 8.88, and 9.43 min for the patellar, tibial, and femoral cartilages, respectively. In addition, it is demonstrated how the CI-RBF method matches the volume

  19. Contour interpolated radial basis functions with spline boundary correction for fast 3D reconstruction of the human articular cartilage from MR images

    Energy Technology Data Exchange (ETDEWEB)

    Javaid, Zarrar; Unsworth, Charles P., E-mail: c.unsworth@auckland.ac.nz [Department of Engineering Science, The University of Auckland, Auckland 1010 (New Zealand); Boocock, Mark G.; McNair, Peter J. [Health and Rehabilitation Research Center, Auckland University of Technology, Auckland 1142 (New Zealand)

    2016-03-15

    Purpose: The aim of this work is to demonstrate a new image processing technique that can provide a “near real-time” 3D reconstruction of the articular cartilage of the human knee from MR images which is user friendly. This would serve as a point-of-care 3D visualization tool which would benefit a consultant radiologist in the visualization of the human articular cartilage. Methods: The authors introduce a novel fusion of an adaptation of the contour method known as “contour interpolation (CI)” with radial basis functions (RBFs) which they describe as “CI-RBFs.” The authors also present a spline boundary correction which further enhances volume estimation of the method. A subject cohort consisting of 17 right nonpathological knees (ten female and seven male) is assessed to validate the quality of the proposed method. The authors demonstrate how the CI-RBF method dramatically reduces the number of data points required for fitting an implicit surface to the entire cartilage, thus, significantly improving the speed of reconstruction over the comparable RBF reconstruction method of Carr. The authors compare the CI-RBF method volume estimation to a typical commercial package (3D DOCTOR), Carr’s RBF method, and a benchmark manual method for the reconstruction of the femoral, tibial, and patellar cartilages. Results: The authors demonstrate how the CI-RBF method significantly reduces the number of data points (p-value < 0.0001) required for fitting an implicit surface to the cartilage, by 48%, 31%, and 44% for the patellar, tibial, and femoral cartilages, respectively. Thus, significantly improving the speed of reconstruction (p-value < 0.0001) by 39%, 40%, and 44% for the patellar, tibial, and femoral cartilages over the comparable RBF model of Carr providing a near real-time reconstruction of 6.49, 8.88, and 9.43 min for the patellar, tibial, and femoral cartilages, respectively. In addition, it is demonstrated how the CI-RBF method matches the volume

  20. Patient-specific radiation dose and cancer risk estimation in CT: Part II. Application to patients

    Energy Technology Data Exchange (ETDEWEB)

    Li Xiang; Samei, Ehsan; Segars, W. Paul; Sturgeon, Gregory M.; Colsher, James G.; Toncheva, Greta; Yoshizumi, Terry T.; Frush, Donald P. [Medical Physics Graduate Program, Carl E. Ravin Advanced Imaging Laboratories, Department of Radiology, Duke University Medical Center, Durham, North Carolina 27705 (United States); Carl E. Ravin Advanced Imaging Laboratories, Department of Radiology, Medical Physics Graduate Program, Department of Physics, and Department of Biomedical Engineering, Duke University Medical Center, Durham, North Carolina 27705 (United States); Carl E. Ravin Advanced Imaging Laboratories, Department of Radiology, Medical Physics Graduate Program, Duke University Medical Center, Durham, North Carolina 27705 (United States); Carl E. Ravin Advanced Imaging Laboratories, Department of Radiology, Duke University Medical Center, Durham, North Carolina 27705 and Department of Biomedical Engineering, University of North Carolina, Chapel Hill, North Carolina 27599 (United States); Department of Radiology, Duke University Medical Center, Durham, North Carolina 27705 (United States); Duke Radiation Dosimetry Laboratory, Department of Radiology, Duke University Medical Center, Durham, North Carolina 27705 (United States); Duke Radiation Dosimetry Laboratory, Department of Radiology, Medical Physics Graduate Program, Duke University Medical Center, Durham, North Carolina 27705 (United States); Division of Pediatric Radiology, Department of Radiology, Medical Physics Graduate Program, Duke University Medical Center, Durham, North Carolina 27710 (United States)

    2011-01-15

    Purpose: Current methods for estimating and reporting radiation dose from CT examinations are largely patient-generic; the body size and hence dose variation from patient to patient is not reflected. Furthermore, the current protocol designs rely on dose as a surrogate for the risk of cancer incidence, neglecting the strong dependence of risk on age and gender. The purpose of this study was to develop a method for estimating patient-specific radiation dose and cancer risk from CT examinations. Methods: The study included two patients (a 5-week-old female patient and a 12-year-old male patient), who underwent 64-slice CT examinations (LightSpeed VCT, GE Healthcare) of the chest, abdomen, and pelvis at our institution in 2006. For each patient, a nonuniform rational B-spine (NURBS) based full-body computer model was created based on the patient's clinical CT data. Large organs and structures inside the image volume were individually segmented and modeled. Other organs were created by transforming an existing adult male or female full-body computer model (developed from visible human data) to match the framework defined by the segmented organs, referencing the organ volume and anthropometry data in ICRP Publication 89. A Monte Carlo program previously developed and validated for dose simulation on the LightSpeed VCT scanner was used to estimate patient-specific organ dose, from which effective dose and risks of cancer incidence were derived. Patient-specific organ dose and effective dose were compared with patient-generic CT dose quantities in current clinical use: the volume-weighted CT dose index (CTDI{sub vol}) and the effective dose derived from the dose-length product (DLP). Results: The effective dose for the CT examination of the newborn patient (5.7 mSv) was higher but comparable to that for the CT examination of the teenager patient (4.9 mSv) due to the size-based clinical CT protocols at our institution, which employ lower scan techniques for smaller

  1. NOTE: Development and preliminary evaluation of a prototype audiovisual biofeedback device incorporating a patient-specific guiding waveform

    Science.gov (United States)

    Venkat, Raghu B.; Sawant, Amit; Suh, Yelin; George, Rohini; Keall, Paul J.

    2008-06-01

    The aim of this research was to investigate the effectiveness of a novel audio-visual biofeedback respiratory training tool to reduce respiratory irregularity. The audiovisual biofeedback system acquires sample respiratory waveforms of a particular patient and computes a patient-specific waveform to guide the patient's subsequent breathing. Two visual feedback models with different displays and cognitive loads were investigated: a bar model and a wave model. The audio instructions were ascending/descending musical tones played at inhale and exhale respectively to assist in maintaining the breathing period. Free-breathing, bar model and wave model training was performed on ten volunteers for 5 min for three repeat sessions. A total of 90 respiratory waveforms were acquired. It was found that the bar model was superior to free breathing with overall rms displacement variations of 0.10 and 0.16 cm, respectively, and rms period variations of 0.77 and 0.33 s, respectively. The wave model was superior to the bar model and free breathing for all volunteers, with an overall rms displacement of 0.08 cm and rms periods of 0.2 s. The reduction in the displacement and period variations for the bar model compared with free breathing was statistically significant (p = 0.005 and 0.002, respectively); the wave model was significantly better than the bar model (p = 0.006 and 0.005, respectively). Audiovisual biofeedback with a patient-specific guiding waveform significantly reduces variations in breathing. The wave model approach reduces cycle-to-cycle variations in displacement by greater than 50% and variations in period by over 70% compared with free breathing. The planned application of this device is anatomic and functional imaging procedures and radiation therapy delivery.

  2. Development and preliminary evaluation of a prototype audiovisual biofeedback device incorporating a patient-specific guiding waveform

    Energy Technology Data Exchange (ETDEWEB)

    Venkat, Raghu B; Sawant, Amit; Suh, Yelin; Keall, Paul J [Department of Radiation Oncology, Stanford University, Stanford, CA 94305-5847 (United States); George, Rohini [Department of Radiation Oncology, Virginia Commonwealth University, Richmond, VA (United States)], E-mail: Paul.Keall@stanford.edu

    2008-06-07

    The aim of this research was to investigate the effectiveness of a novel audio-visual biofeedback respiratory training tool to reduce respiratory irregularity. The audiovisual biofeedback system acquires sample respiratory waveforms of a particular patient and computes a patient-specific waveform to guide the patient's subsequent breathing. Two visual feedback models with different displays and cognitive loads were investigated: a bar model and a wave model. The audio instructions were ascending/descending musical tones played at inhale and exhale respectively to assist in maintaining the breathing period. Free-breathing, bar model and wave model training was performed on ten volunteers for 5 min for three repeat sessions. A total of 90 respiratory waveforms were acquired. It was found that the bar model was superior to free breathing with overall rms displacement variations of 0.10 and 0.16 cm, respectively, and rms period variations of 0.77 and 0.33 s, respectively. The wave model was superior to the bar model and free breathing for all volunteers, with an overall rms displacement of 0.08 cm and rms periods of 0.2 s. The reduction in the displacement and period variations for the bar model compared with free breathing was statistically significant (p = 0.005 and 0.002, respectively); the wave model was significantly better than the bar model (p = 0.006 and 0.005, respectively). Audiovisual biofeedback with a patient-specific guiding waveform significantly reduces variations in breathing. The wave model approach reduces cycle-to-cycle variations in displacement by greater than 50% and variations in period by over 70% compared with free breathing. The planned application of this device is anatomic and functional imaging procedures and radiation therapy delivery. (note)

  3. Development and preliminary evaluation of a prototype audiovisual biofeedback device incorporating a patient-specific guiding waveform

    International Nuclear Information System (INIS)

    Venkat, Raghu B; Sawant, Amit; Suh, Yelin; Keall, Paul J; George, Rohini

    2008-01-01

    The aim of this research was to investigate the effectiveness of a novel audio-visual biofeedback respiratory training tool to reduce respiratory irregularity. The audiovisual biofeedback system acquires sample respiratory waveforms of a particular patient and computes a patient-specific waveform to guide the patient's subsequent breathing. Two visual feedback models with different displays and cognitive loads were investigated: a bar model and a wave model. The audio instructions were ascending/descending musical tones played at inhale and exhale respectively to assist in maintaining the breathing period. Free-breathing, bar model and wave model training was performed on ten volunteers for 5 min for three repeat sessions. A total of 90 respiratory waveforms were acquired. It was found that the bar model was superior to free breathing with overall rms displacement variations of 0.10 and 0.16 cm, respectively, and rms period variations of 0.77 and 0.33 s, respectively. The wave model was superior to the bar model and free breathing for all volunteers, with an overall rms displacement of 0.08 cm and rms periods of 0.2 s. The reduction in the displacement and period variations for the bar model compared with free breathing was statistically significant (p = 0.005 and 0.002, respectively); the wave model was significantly better than the bar model (p = 0.006 and 0.005, respectively). Audiovisual biofeedback with a patient-specific guiding waveform significantly reduces variations in breathing. The wave model approach reduces cycle-to-cycle variations in displacement by greater than 50% and variations in period by over 70% compared with free breathing. The planned application of this device is anatomic and functional imaging procedures and radiation therapy delivery. (note)

  4. Patient-specific coronary blood supply territories for quantitative perfusion analysis

    Science.gov (United States)

    Zakkaroff, Constantine; Biglands, John D.; Greenwood, John P.; Plein, Sven; Boyle, Roger D.; Radjenovic, Aleksandra; Magee, Derek R.

    2018-01-01

    Abstract Myocardial perfusion imaging, coupled with quantitative perfusion analysis, provides an important diagnostic tool for the identification of ischaemic heart disease caused by coronary stenoses. The accurate mapping between coronary anatomy and under-perfused areas of the myocardium is important for diagnosis and treatment. However, in the absence of the actual coronary anatomy during the reporting of perfusion images, areas of ischaemia are allocated to a coronary territory based on a population-derived 17-segment (American Heart Association) AHA model of coronary blood supply. This work presents a solution for the fusion of 2D Magnetic Resonance (MR) myocardial perfusion images and 3D MR angiography data with the aim to improve the detection of ischaemic heart disease. The key contribution of this work is a novel method for the mediated spatiotemporal registration of perfusion and angiography data and a novel method for the calculation of patient-specific coronary supply territories. The registration method uses 4D cardiac MR cine series spanning the complete cardiac cycle in order to overcome the under-constrained nature of non-rigid slice-to-volume perfusion-to-angiography registration. This is achieved by separating out the deformable registration problem and solving it through phase-to-phase registration of the cine series. The use of patient-specific blood supply territories in quantitative perfusion analysis (instead of the population-based model of coronary blood supply) has the potential of increasing the accuracy of perfusion analysis. Quantitative perfusion analysis diagnostic accuracy evaluation with patient-specific territories against the AHA model demonstrates the value of the mediated spatiotemporal registration in the context of ischaemic heart disease diagnosis. PMID:29392098

  5. 3D Modelling and Printing Technology to Produce Patient-Specific 3D Models.

    Science.gov (United States)

    Birbara, Nicolette S; Otton, James M; Pather, Nalini

    2017-11-10

    A comprehensive knowledge of mitral valve (MV) anatomy is crucial in the assessment of MV disease. While the use of three-dimensional (3D) modelling and printing in MV assessment has undergone early clinical evaluation, the precision and usefulness of this technology requires further investigation. This study aimed to assess and validate 3D modelling and printing technology to produce patient-specific 3D MV models. A prototype method for MV 3D modelling and printing was developed from computed tomography (CT) scans of a plastinated human heart. Mitral valve models were printed using four 3D printing methods and validated to assess precision. Cardiac CT and 3D echocardiography imaging data of four MV disease patients was used to produce patient-specific 3D printed models, and 40 cardiac health professionals (CHPs) were surveyed on the perceived value and potential uses of 3D models in a clinical setting. The prototype method demonstrated submillimetre precision for all four 3D printing methods used, and statistical analysis showed a significant difference (p3D printed models, particularly using multiple print materials, were considered useful by CHPs for preoperative planning, as well as other applications such as teaching and training. This study suggests that, with further advances in 3D modelling and printing technology, patient-specific 3D MV models could serve as a useful clinical tool. The findings also highlight the potential of this technology to be applied in a variety of medical areas within both clinical and educational settings. Copyright © 2017 Australian and New Zealand Society of Cardiac and Thoracic Surgeons (ANZSCTS) and the Cardiac Society of Australia and New Zealand (CSANZ). Published by Elsevier B.V. All rights reserved.

  6. The sensitivity of patient specific IMRT QC to systematic MLC leaf bank offset errors

    International Nuclear Information System (INIS)

    Rangel, Alejandra; Palte, Gesa; Dunscombe, Peter

    2010-01-01

    Purpose: Patient specific IMRT QC is performed routinely in many clinics as a safeguard against errors and inaccuracies which may be introduced during the complex planning, data transfer, and delivery phases of this type of treatment. The purpose of this work is to evaluate the feasibility of detecting systematic errors in MLC leaf bank position with patient specific checks. Methods: 9 head and neck (H and N) and 14 prostate IMRT beams were delivered using MLC files containing systematic offsets (±1 mm in two banks, ±0.5 mm in two banks, and 1 mm in one bank of leaves). The beams were measured using both MAPCHECK (Sun Nuclear Corp., Melbourne, FL) and the aS1000 electronic portal imaging device (Varian Medical Systems, Palo Alto, CA). Comparisons with calculated fields, without offsets, were made using commonly adopted criteria including absolute dose (AD) difference, relative dose difference, distance to agreement (DTA), and the gamma index. Results: The criteria most sensitive to systematic leaf bank offsets were the 3% AD, 3 mm DTA for MAPCHECK and the gamma index with 2% AD and 2 mm DTA for the EPID. The criterion based on the relative dose measurements was the least sensitive to MLC offsets. More highly modulated fields, i.e., H and N, showed greater changes in the percentage of passing points due to systematic MLC inaccuracy than prostate fields. Conclusions: None of the techniques or criteria tested is sufficiently sensitive, with the population of IMRT fields, to detect a systematic MLC offset at a clinically significant level on an individual field. Patient specific QC cannot, therefore, substitute for routine QC of the MLC itself.

  7. The sensitivity of patient specific IMRT QC to systematic MLC leaf bank offset errors

    Energy Technology Data Exchange (ETDEWEB)

    Rangel, Alejandra; Palte, Gesa; Dunscombe, Peter [Department of Medical Physics, Tom Baker Cancer Centre, 1331-29 Street NW, Calgary, Alberta T2N 4N2, Canada and Department of Physics and Astronomy, University of Calgary, 2500 University Drive North West, Calgary, Alberta T2N 1N4 (Canada); Department of Medical Physics, Tom Baker Cancer Centre, 1331-29 Street NW, Calgary, Alberta T2N 4N2 (Canada); Department of Medical Physics, Tom Baker Cancer Centre, 1331-29 Street NW, Calgary, Alberta T2N 4N2 (Canada); Department of Physics and Astronomy, University of Calgary, 2500 University Drive NW, Calgary, Alberta T2N 1N4 (Canada) and Department of Oncology, Tom Baker Cancer Centre, 1331-29 Street NW, Calgary, Alberta T2N 4N2 (Canada)

    2010-07-15

    Purpose: Patient specific IMRT QC is performed routinely in many clinics as a safeguard against errors and inaccuracies which may be introduced during the complex planning, data transfer, and delivery phases of this type of treatment. The purpose of this work is to evaluate the feasibility of detecting systematic errors in MLC leaf bank position with patient specific checks. Methods: 9 head and neck (H and N) and 14 prostate IMRT beams were delivered using MLC files containing systematic offsets ({+-}1 mm in two banks, {+-}0.5 mm in two banks, and 1 mm in one bank of leaves). The beams were measured using both MAPCHECK (Sun Nuclear Corp., Melbourne, FL) and the aS1000 electronic portal imaging device (Varian Medical Systems, Palo Alto, CA). Comparisons with calculated fields, without offsets, were made using commonly adopted criteria including absolute dose (AD) difference, relative dose difference, distance to agreement (DTA), and the gamma index. Results: The criteria most sensitive to systematic leaf bank offsets were the 3% AD, 3 mm DTA for MAPCHECK and the gamma index with 2% AD and 2 mm DTA for the EPID. The criterion based on the relative dose measurements was the least sensitive to MLC offsets. More highly modulated fields, i.e., H and N, showed greater changes in the percentage of passing points due to systematic MLC inaccuracy than prostate fields. Conclusions: None of the techniques or criteria tested is sufficiently sensitive, with the population of IMRT fields, to detect a systematic MLC offset at a clinically significant level on an individual field. Patient specific QC cannot, therefore, substitute for routine QC of the MLC itself.

  8. The effect of inlet waveforms on computational hemodynamics of patient-specific intracranial aneurysms.

    Science.gov (United States)

    Xiang, J; Siddiqui, A H; Meng, H

    2014-12-18

    Due to the lack of patient-specific inlet flow waveform measurements, most computational fluid dynamics (CFD) simulations of intracranial aneurysms usually employ waveforms that are not patient-specific as inlet boundary conditions for the computational model. The current study examined how this assumption affects the predicted hemodynamics in patient-specific aneurysm geometries. We examined wall shear stress (WSS) and oscillatory shear index (OSI), the two most widely studied hemodynamic quantities that have been shown to predict aneurysm rupture, as well as maximal WSS (MWSS), energy loss (EL) and pressure loss coefficient (PLc). Sixteen pulsatile CFD simulations were carried out on four typical saccular aneurysms using 4 different waveforms and an identical inflow rate as inlet boundary conditions. Our results demonstrated that under the same mean inflow rate, different waveforms produced almost identical WSS distributions and WSS magnitudes, similar OSI distributions but drastically different OSI magnitudes. The OSI magnitude is correlated with the pulsatility index of the waveform. Furthermore, there is a linear relationship between aneurysm-averaged OSI values calculated from one waveform and those calculated from another waveform. In addition, different waveforms produced similar MWSS, EL and PLc in each aneurysm. In conclusion, inlet waveform has minimal effects on WSS, OSI distribution, MWSS, EL and PLc and a strong effect on OSI magnitude, but aneurysm-averaged OSI from different waveforms has a strong linear correlation with each other across different aneurysms, indicating that for the same aneurysm cohort, different waveforms can consistently stratify (rank) OSI of aneurysms. Copyright © 2014 Elsevier Ltd. All rights reserved.

  9. Creating Patient-Specific Neural Cells for the In Vitro Study of Brain Disorders

    Directory of Open Access Journals (Sweden)

    Kristen J. Brennand

    2015-12-01

    Full Text Available As a group, we met to discuss the current challenges for creating meaningful patient-specific in vitro models to study brain disorders. Although the convergence of findings between laboratories and patient cohorts provided us confidence and optimism that hiPSC-based platforms will inform future drug discovery efforts, a number of critical technical challenges remain. This opinion piece outlines our collective views on the current state of hiPSC-based disease modeling and discusses what we see to be the critical objectives that must be addressed collectively as a field.

  10. Patient-specific three-dimensional printing for pre-surgical planning in hepatocellular carcinoma treatment.

    Science.gov (United States)

    Perica, Elizabeth; Sun, Zhonghua

    2017-12-01

    Recently, three-dimensional (3D) printing has shown great interest in medicine, and 3D printed models may be rendered as part of the pre-surgical planning process in order to better understand the complexities of an individual's anatomy. The aim of this study is to investigate the feasibility of utilising 3D printed liver models as clinical tools in pre-operative planning for resectable hepatocellular carcinoma (HCC) lesions. High-resolution contrast-enhanced computed tomography (CT) images were acquired and utilized to generate a patient-specific 3D printed liver model. Hepatic structures were segmented and edited to produce a printable model delineating intrahepatic anatomy and a resectable HCC lesion. Quantitative assessment of 3D model accuracy compared measurements of critical anatomical landmarks acquired from the original CT images, standard tessellation language (STL) files, and the 3D printed liver model. Comparative analysis of surveys completed by two radiologists investigated the clinical value of 3D printed liver models in radiology. The application of utilizing 3D printed liver models as tools in surgical planning for resectable HCC lesions was evaluated through kappa analysis of questionnaires completed by two abdominal surgeons. A scaled down multi-material 3D liver model delineating patient-specific hepatic anatomy and pathology was produced, requiring a total production time of 25.25 hours and costing a total of AUD $1,250. A discrepancy was found in the total mean of measurements at each stage of production, with a total mean of 18.28±9.31 mm for measurements acquired from the original CT data, 15.63±8.06 mm for the STL files, and 14.47±7.71 mm for the 3D printed liver model. The 3D liver model did not enhance the radiologists' perception of patient-specific anatomy or pathology. Kappa analysis of the surgeon's responses to survey questions yielded a percentage agreement of 80%, and a κ value of 0.38 (P=0.24) indicating fair agreement. Study

  11. Generation of Transplantable Beta Cells for Patient-Specific Cell Therapy

    Directory of Open Access Journals (Sweden)

    Xiaojie Wang

    2012-01-01

    Full Text Available Islet cell transplantation offers a potential cure for type 1 diabetes, but it is challenged by insufficient donor tissue and side effects of current immunosuppressive drugs. Therefore, alternative sources of insulin-producing cells and isletfriendly immunosuppression are required to increase the efficiency and safety of this procedure. Beta cells can be transdifferentiated from precursors or another heterologous (non-beta-cell source. Recent advances in beta cell regeneration from somatic cells such as fibroblasts could circumvent the usage of immunosuppressive drugs. Therefore, generation of patient-specific beta cells provides the potential of an evolutionary treatment for patients with diabetes.

  12. Patient-specific quantification of image quality: An automated method for measuring spatial resolution in clinical CT images

    Energy Technology Data Exchange (ETDEWEB)

    Sanders, Jeremiah, E-mail: jeremiah.sanders@duke.edu [Medical Physics Graduate Program, Carl E. Ravin Advanced Imaging Laboratories, Department of Radiology, Clinical Imaging Physics Group, Duke University, Durham, North Carolina 27710 (United States); Hurwitz, Lynne [Department of Radiology, Duke University, Durham, North Carolina 27710 (United States); Samei, Ehsan [Medical Physics Graduate Program, Carl E. Ravin Advanced Imaging Laboratories, Department of Radiology, Clinical Imaging Physics Group, Duke University, Durham, North Carolina 27710 and Departments of Physics, Biomedical Engineering, Electrical and Computer Engineering, Duke University, Durham, North Carolina 27710 (United States)

    2016-10-15

    Purpose: To develop and validate an automated technique for evaluating the spatial resolution characteristics of clinical computed tomography (CT) images. Methods: Twenty one chest and abdominopelvic clinical CT datasets were examined in this study. An algorithm was developed to extract a CT resolution index (RI) analogous to the modulation transfer function from clinical CT images by measuring the edge-spread function (ESF) across the patient’s skin. A polygon mesh of the air-skin boundary was created. The faces of the mesh were then used to measure the ESF across the air-skin interface. The ESF was differentiated to obtain the line-spread function (LSF), and the LSF was Fourier transformed to obtain the RI. The algorithm’s ability to detect the radial dependence of the RI was investigated. RIs measured with the proposed method were compared with a conventional phantom-based method across two reconstruction algorithms (FBP and iterative) using the spatial frequency at 50% RI, f{sub 50}, as the metric for comparison. Three reconstruction kernels were investigated for each reconstruction algorithm. Finally, an observer study was conducted to determine if observers could visually perceive the differences in the measured blurriness of images reconstructed with a given reconstruction method. Results: RI measurements performed with the proposed technique exhibited the expected dependencies on the image reconstruction. The measured f{sub 50} values increased with harder kernels for both FBP and iterative reconstruction. Furthermore, the proposed algorithm was able to detect the radial dependence of the RI. Patient-specific measurements of the RI were comparable to the phantom-based technique, but the patient data exhibited a large spread in the measured f{sub 50}, indicating that some datasets were blurrier than others even when the projection data were reconstructed with the same reconstruction algorithm and kernel. Results from the observer study substantiated this

  13. Validation of Patient-Specific Cerebral Blood Flow Simulation Using Transcranial Doppler Measurements

    Directory of Open Access Journals (Sweden)

    Derek Groen

    2018-06-01

    Full Text Available We present a validation study comparing results from a patient-specific lattice-Boltzmann simulation to transcranial Doppler (TCD velocity measurements in four different planes of the middle cerebral artery (MCA. As part of the study, we compared simulations using a Newtonian and a Carreau-Yasuda rheology model. We also investigated the viability of using downscaled velocities to reduce the required resolution. Simulations with unscaled velocities predict the maximum flow velocity with an error of less than 9%, independent of the rheology model chosen. The accuracy of the simulation predictions worsens considerably when simulations are run at reduced velocity, as is for example the case when inflow velocities from healthy individuals are used on a vascular model of a stroke patient. Our results demonstrate the importance of using directly measured and patient-specific inflow velocities when simulating blood flow in MCAs. We conclude that localized TCD measurements together with predictive simulations can be used to obtain flow estimates with high fidelity over a larger region, and reduce the need for more invasive flow measurement procedures.

  14. Interplay of Proximal Flow Confluence and Distal Flow Divergence in Patient-Specific Vertebrobasilar System.

    Directory of Open Access Journals (Sweden)

    Xiaoping Yin

    Full Text Available Approximately one-quarter of ischemic strokes involve the vertebrobasilar arterial system that includes the upstream flow confluence and downstream flow divergence. A patient-specific hemodynamic analysis is needed to understand the posterior circulation. The objective of this study is to determine the distribution of hemodynamic parameters in the vertebrobasilar system, based on computer tomography angiography images. Here, the interplay of upstream flow confluence and downstream flow divergence was hypothesized to be a determinant factor for the hemodynamic distribution in the vertebrobasilar system. A computational fluid dynamics model was used to compute the flow fields in patient-specific vertebrobasilar models (n = 6. The inlet and outlet boundary conditions were the aortic pressure waveform and flow resistances, respectively. A 50% reduction of total outlet area was found to induce a ten-fold increase in surface area ratio of low time-averaged wall shear stress (i.e., TAWSS ≤ 4 dynes/cm2. This study enhances our understanding of the posterior circulation associated with the incidence of atherosclerotic plaques.

  15. Physically consistent data assimilation method based on feedback control for patient-specific blood flow analysis.

    Science.gov (United States)

    Ii, Satoshi; Adib, Mohd Azrul Hisham Mohd; Watanabe, Yoshiyuki; Wada, Shigeo

    2018-01-01

    This paper presents a novel data assimilation method for patient-specific blood flow analysis based on feedback control theory called the physically consistent feedback control-based data assimilation (PFC-DA) method. In the PFC-DA method, the signal, which is the residual error term of the velocity when comparing the numerical and reference measurement data, is cast as a source term in a Poisson equation for the scalar potential field that induces flow in a closed system. The pressure values at the inlet and outlet boundaries are recursively calculated by this scalar potential field. Hence, the flow field is physically consistent because it is driven by the calculated inlet and outlet pressures, without any artificial body forces. As compared with existing variational approaches, although this PFC-DA method does not guarantee the optimal solution, only one additional Poisson equation for the scalar potential field is required, providing a remarkable improvement for such a small additional computational cost at every iteration. Through numerical examples for 2D and 3D exact flow fields, with both noise-free and noisy reference data as well as a blood flow analysis on a cerebral aneurysm using actual patient data, the robustness and accuracy of this approach is shown. Moreover, the feasibility of a patient-specific practical blood flow analysis is demonstrated. Copyright © 2017 John Wiley & Sons, Ltd.

  16. Compliant Buckled Foam Actuators and Application in Patient-Specific Direct Cardiac Compression.

    Science.gov (United States)

    Mac Murray, Benjamin C; Futran, Chaim C; Lee, Jeanne; O'Brien, Kevin W; Amiri Moghadam, Amir A; Mosadegh, Bobak; Silberstein, Meredith N; Min, James K; Shepherd, Robert F

    2018-02-01

    We introduce the use of buckled foam for soft pneumatic actuators. A moderate amount of residual compressive strain within elastomer foam increases the applied force ∼1.4 × or stroke ∼2 × compared with actuators without residual strain. The origin of these improved characteristics is explained analytically. These actuators are applied in a direct cardiac compression (DCC) device design, a type of implanted mechanical circulatory support that avoids direct blood contact, mitigating risks of clot formation and stroke. This article describes a first step toward a pneumatically powered, patient-specific DCC design by employing elastomer foam as the mechanism for cardiac compression. To form the device, a mold of a patient's heart was obtained by 3D printing a digitized X-ray computed tomography or magnetic resonance imaging scan into a solid model. From this model, a soft, robotic foam DCC device was molded. The DCC device is compliant and uses compressed air to inflate foam chambers that in turn apply compression to the exterior of a heart. The device is demonstrated on a porcine heart and is capable of assisting heart pumping at physiologically relevant durations (∼200 ms for systole and ∼400 ms for diastole) and stroke volumes (∼70 mL). Although further development is necessary to produce a fully implantable device, the material and processing insights presented here are essential to the implementation of a foam-based, patient-specific DCC design.

  17. Estimating patient-specific soft-tissue properties in a TKA knee.

    Science.gov (United States)

    Ewing, Joseph A; Kaufman, Michelle K; Hutter, Erin E; Granger, Jeffrey F; Beal, Matthew D; Piazza, Stephen J; Siston, Robert A

    2016-03-01

    Surgical technique is one factor that has been identified as critical to success of total knee arthroplasty. Researchers have shown that computer simulations can aid in determining how decisions in the operating room generally affect post-operative outcomes. However, to use simulations to make clinically relevant predictions about knee forces and motions for a specific total knee patient, patient-specific models are needed. This study introduces a methodology for estimating knee soft-tissue properties of an individual total knee patient. A custom surgical navigation system and stability device were used to measure the force-displacement relationship of the knee. Soft-tissue properties were estimated using a parameter optimization that matched simulated tibiofemoral kinematics with experimental tibiofemoral kinematics. Simulations using optimized ligament properties had an average root mean square error of 3.5° across all tests while simulations using generic ligament properties taken from literature had an average root mean square error of 8.4°. Specimens showed large variability among ligament properties regardless of similarities in prosthetic component alignment and measured knee laxity. These results demonstrate the importance of soft-tissue properties in determining knee stability, and suggest that to make clinically relevant predictions of post-operative knee motions and forces using computer simulations, patient-specific soft-tissue properties are needed. © 2015 Orthopaedic Research Society. Published by Wiley Periodicals, Inc.

  18. Dose distribution in organs: patient-specific phantoms versus reference phantoms

    Energy Technology Data Exchange (ETDEWEB)

    Lacerda, I.V.B., E-mail: isabelle.lacerda@ufpe.br [Universidade Federal de Pernambuco (UFPE), Recife (Brazil); Vieira, J.W. [Instituto Federal de Pernambuco (IFPE), Recife (Brazil); Oliveira, M.L.; Lima, F.R.A. [Centro Regional de Ciências Nucleares do Nordeste (CRCN-NE/CNEN-PB), Recife (Brazil)

    2017-07-01

    Discrepancies between ICRP phantoms and real patients lead to disparities on patient-dose estimations. This paper aims to compare distribution of dose in organs of male/female specific-phantoms and ICRP reference phantoms. The absorbed dose estimation was performed using the EGSnrc Monte Carlo code and a parallel source algorithm. In this work were used a patient-specific phantom for a man (1.73m/70.3kg) and another for a woman (1.63m/60.3kg) and the male and female ICRP reference phantoms. The comparison of the absorbed dose from each phantom gender was performed using the relative error. The results were expressed in terms of conversion coefficients to brain, lungs, liver and kidneys. The greatest absolute relative error between the organs of the patient-specific phantom and the reference phantom was 22.92% in the liver and 62.84% in the kidneys, respectively for man and woman. There are errors that cannot be disregarded. This paper shows the need for a specific study for each patient or for the population of each country, since there are different body types, which affects the distribution of the organ doses. (author)

  19. Patient Specific Multiscale Simulations of Blood Flow in Coronary Artery Bypass Surgery

    Science.gov (United States)

    Bangalore Ramachandra, Abhay; Sankaran, Sethuraman; Kahn, Andrew M.; Marsden, Alison L.

    2013-11-01

    Coronary artery bypass surgery is performed to revascularize blocked coronary arteries in roughly 400,000 patients per year in the US.While arterial grafts offer superior patency, vein grafts are used in more than 70% of procedures, as most patients require multiple grafts. Vein graft failure (approx. 50% within 10 years) remains a major clinical issue. Mounting evidence suggests that hemodynamics plays a key role as a mechano-biological stimulus contributing to graft failure. However, quantifying relevant hemodynamic quantities (e.g. wall shear stress) invivo is not possible directly using clinical imaging techniques. We numerically compute graft hemodynamics in a cohort of 3-D patient specific models using a stabilized finite element method. The 3D flow domain is coupled to a 0D lumped parameter circulatory model. Boundary conditions are tuned to match patient specific blood pressures, stroke volumes & heart rates. Results reproduce clinically observed coronary flow waveforms. We quantify differences in multiple hemodynamic quantities between arterial & venous grafts & discuss possible correlations between graft hemodynamics & clinically observed graft failure.Such correlations will provide further insight into mechanisms of graft failure and may lead to improved clinical outcomes.

  20. Comparison of Detailed and Simplified Models of Human Atrial Myocytes to Recapitulate Patient Specific Properties.

    Directory of Open Access Journals (Sweden)

    Daniel M Lombardo

    2016-08-01

    Full Text Available Computer studies are often used to study mechanisms of cardiac arrhythmias, including atrial fibrillation (AF. A crucial component in these studies is the electrophysiological model that describes the membrane potential of myocytes. The models vary from detailed, describing numerous ion channels, to simplified, grouping ionic channels into a minimal set of variables. The parameters of these models, however, are determined across different experiments in varied species. Furthermore, a single set of parameters may not describe variations across patients, and models have rarely been shown to recapitulate critical features of AF in a given patient. In this study we develop physiologically accurate computational human atrial models by fitting parameters of a detailed and of a simplified model to clinical data for five patients undergoing ablation therapy. Parameters were simultaneously fitted to action potential (AP morphology, action potential duration (APD restitution and conduction velocity (CV restitution curves in these patients. For both models, our fitting procedure generated parameter sets that accurately reproduced clinical data, but differed markedly from published sets and between patients, emphasizing the need for patient-specific adjustment. Both models produced two-dimensional spiral wave dynamics for that were similar for each patient. These results show that simplified, computationally efficient models are an attractive choice for simulations of human atrial electrophysiology in spatially extended domains. This study motivates the development and validation of patient-specific model-based mechanistic studies to target therapy.

  1. Fluid Structure Interaction simulation of heart prosthesis in patient-specific left-ventricle/aorta anatomies

    Science.gov (United States)

    Le, Trung; Borazjani, Iman; Sotiropoulos, Fotis

    2009-11-01

    In order to test and optimize heart valve prosthesis and enable virtual implantation of other biomedical devices it is essential to develop and validate high-resolution FSI-CFD codes for carrying out simulations in patient-specific geometries. We have developed a powerful numerical methodology for carrying out FSI simulations of cardiovascular flows based on the CURVIB approach (Borazjani, L. Ge, and F. Sotiropoulos, Journal of Computational physics, vol. 227, pp. 7587-7620 2008). We have extended our FSI method to overset grids to handle efficiently more complicated geometries e.g. simulating an MHV implanted in an anatomically realistic aorta and left-ventricle. A compliant, anatomic left-ventricle is modeled using prescribed motion in one domain. The mechanical heart valve is placed inside the second domain i.e. the body-fitted curvilinear mesh of the anatomic aorta. The simulations of an MHV with a left-ventricle model underscore the importance of inflow conditions and ventricular compliance for such simulations and demonstrate the potential of our method as a powerful tool for patient-specific simulations.

  2. An efficient parallel simulation of unsteady blood flows in patient-specific pulmonary artery.

    Science.gov (United States)

    Kong, Fande; Kheyfets, Vitaly; Finol, Ender; Cai, Xiao-Chuan

    2018-04-01

    Simulation of blood flows in the pulmonary artery provides some insight into certain diseases by examining the relationship between some continuum metrics, eg, the wall shear stress acting on the vascular endothelium, which responds to flow-induced mechanical forces by releasing vasodilators/constrictors. V. Kheyfets, in his previous work, studies numerically a patient-specific pulmonary circulation to show that decreasing wall shear stress is correlated with increasing pulmonary vascular impedance. In this paper, we develop a scalable parallel algorithm based on domain decomposition methods to investigate an unsteady model with patient-specific pulsatile waveforms as the inlet boundary condition. The unsteady model offers tremendously more information about the dynamic behavior of the flow field, but computationally speaking, the simulation is a lot more expensive since a problem which is similar to the steady-state problem has to be solved many times, and therefore, the traditional sequential approach is not suitable anymore. We show computationally that simulations using the proposed parallel approach with up to 10 000 processor cores can be obtained with much reduced compute time. This makes the technology potentially usable for the routine study of the dynamic behavior of blood flows in the pulmonary artery, in particular, the changes of the blood flows and the wall shear stress in the spatial and temporal dimensions. Copyright © 2017 John Wiley & Sons, Ltd.

  3. Dose distribution in organs: patient-specific phantoms versus reference phantoms

    International Nuclear Information System (INIS)

    Lacerda, I.V.B.; Vieira, J.W.; Oliveira, M.L.; Lima, F.R.A.

    2017-01-01

    Discrepancies between ICRP phantoms and real patients lead to disparities on patient-dose estimations. This paper aims to compare distribution of dose in organs of male/female specific-phantoms and ICRP reference phantoms. The absorbed dose estimation was performed using the EGSnrc Monte Carlo code and a parallel source algorithm. In this work were used a patient-specific phantom for a man (1.73m/70.3kg) and another for a woman (1.63m/60.3kg) and the male and female ICRP reference phantoms. The comparison of the absorbed dose from each phantom gender was performed using the relative error. The results were expressed in terms of conversion coefficients to brain, lungs, liver and kidneys. The greatest absolute relative error between the organs of the patient-specific phantom and the reference phantom was 22.92% in the liver and 62.84% in the kidneys, respectively for man and woman. There are errors that cannot be disregarded. This paper shows the need for a specific study for each patient or for the population of each country, since there are different body types, which affects the distribution of the organ doses. (author)

  4. Design and manufacturing of patient-specific orthodontic appliances by computer-aided engineering techniques.

    Science.gov (United States)

    Barone, Sandro; Neri, Paolo; Paoli, Alessandro; Razionale, Armando Viviano

    2018-01-01

    Orthodontic treatments are usually performed using fixed brackets or removable oral appliances, which are traditionally made from alginate impressions and wax registrations. Among removable devices, eruption guidance appliances are used for early orthodontic treatments in order to intercept and prevent malocclusion problems. Commercially available eruption guidance appliances, however, are symmetric devices produced using a few standard sizes. For this reason, they are not able to meet all the specific patient's needs since the actual dental anatomies present various geometries and asymmetric conditions. In this article, a computer-aided design-based methodology for the design and manufacturing of a patient-specific eruption guidance appliances is presented. The proposed approach is based on the digitalization of several steps of the overall process: from the digital reconstruction of patients' anatomies to the manufacturing of customized appliances. A finite element model has been developed to evaluate the temporomandibular joint disks stress level caused by using symmetric eruption guidance appliances with different teeth misalignment conditions. The developed model can then be used to guide the design of a patient-specific appliance with the aim at reducing the patient discomfort. At this purpose, two different customization levels are proposed in order to face both arches and single tooth misalignment issues. A low-cost manufacturing process, based on an additive manufacturing technique, is finally presented and discussed.

  5. RECONSTRUCCIÓN TRIDIMENSIONAL DE ROSTROS A PARTIR DE IMÁGENES DE RANGO POR MEDIO DE FUNCIONES DE BASE RADIAL DE SOPORTE COMPACTO TRI-DIMENSIONAL RECONSTRUCTION OF FACES FROM RANGE IMAGES THROUGH COMPACT SUPPORT RADIAL BASIS FUNCTIONS

    Directory of Open Access Journals (Sweden)

    Jaime A. Echeverri A.

    2007-07-01

    Full Text Available En este trabajo se muestra la utilización de funciones de base radial de soporte compacto para la reconstrucción tridimensional de rostros. En trabajos anteriores se habían explorado diferentes técnicas y diferentes funciones de base radial para reconstrucción de superficies; ahora presentamos los algoritmos y los resultados de la utilización de funciones de base radial de soporte compacto las cuales presentan ventajas comparativas en términos del tiempo de construcción de un interpolante para la reconstrucción. Se presentan comparaciones con técnicas ampliamente utilizadas en este campo y se detalla el proceso global de reconstrucción de superficies.In previous works, we have explored several radial basis techniques and functions for the reconstruction of surfaces. We now present the use of compact support radial basis functions for the tri-dimensional reconstruction of human faces. Therefore, we present algorithms and results coming from the application of compact support radial basis functions which have revealed comparative advantages in terms of the amount of time needed for the construction of an interpolant to be used in the reconstruction. We are also presenting some comparisons with techniques widely used in this field and we explain in detail the global process for the surfaces reconstruction.

  6. Automatic bladder segmentation on CBCT for multiple plan ART of bladder cancer using a patient-specific bladder model

    Energy Technology Data Exchange (ETDEWEB)

    Xiangfei, Chai; Hulshof, Maarten; Bel, Arjan [Department of Radiotherapy, Academic medical Center, University of Amsterdam, 1105 AZ, Amsterdam (Netherlands); Van Herk, Marcel; Betgen, Anja [Department of Radiotherapy, The Netherlands Cancer Institute/Antoni van Leeuwenhoek Hospital, 1066 CX, Amsterdam (Netherlands)

    2012-06-21

    In multiple plan adaptive radiotherapy (ART) strategies of bladder cancer, a library of plans corresponding to different bladder volumes is created based on images acquired in early treatment sessions. Subsequently, the plan for the smallest PTV safely covering the bladder on cone-beam CT (CBCT) is selected as the plan of the day. The aim of this study is to develop an automatic bladder segmentation approach suitable for CBCT scans and test its ability to select the appropriate plan from the library of plans for such an ART procedure. Twenty-three bladder cancer patients with a planning CT and on average 11.6 CBCT scans were included in our study. For each patient, all CBCT scans were matched to the planning CT on bony anatomy. Bladder contours were manually delineated for each planning CT (for model building) and CBCT (for model building and validation). The automatic segmentation method consisted of two steps. A patient-specific bladder deformation model was built from the training data set of each patient (the planning CT and the first five CBCT scans). Then, the model was applied to automatically segment bladders in the validation data of the same patient (the remaining CBCT scans). Principal component analysis (PCA) was applied to the training data to model patient-specific bladder deformation patterns. The number of PCA modes for each patient was chosen such that the bladder shapes in the training set could be represented by such number of PCA modes with less than 0.1 cm mean residual error. The automatic segmentation started from the bladder shape of a reference CBCT, which was adjusted by changing the weight of each PCA mode. As a result, the segmentation contour was deformed consistently with the training set to fit the bladder in the validation image. A cost function was defined by the absolute difference between the directional gradient field of reference CBCT sampled on the corresponding bladder contour and the directional gradient field of validation

  7. Automatic bladder segmentation on CBCT for multiple plan ART of bladder cancer using a patient-specific bladder model

    International Nuclear Information System (INIS)

    Chai Xiangfei; Hulshof, Maarten; Bel, Arjan; Van Herk, Marcel; Betgen, Anja

    2012-01-01

    In multiple plan adaptive radiotherapy (ART) strategies of bladder cancer, a library of plans corresponding to different bladder volumes is created based on images acquired in early treatment sessions. Subsequently, the plan for the smallest PTV safely covering the bladder on cone-beam CT (CBCT) is selected as the plan of the day. The aim of this study is to develop an automatic bladder segmentation approach suitable for CBCT scans and test its ability to select the appropriate plan from the library of plans for such an ART procedure. Twenty-three bladder cancer patients with a planning CT and on average 11.6 CBCT scans were included in our study. For each patient, all CBCT scans were matched to the planning CT on bony anatomy. Bladder contours were manually delineated for each planning CT (for model building) and CBCT (for model building and validation). The automatic segmentation method consisted of two steps. A patient-specific bladder deformation model was built from the training data set of each patient (the planning CT and the first five CBCT scans). Then, the model was applied to automatically segment bladders in the validation data of the same patient (the remaining CBCT scans). Principal component analysis (PCA) was applied to the training data to model patient-specific bladder deformation patterns. The number of PCA modes for each patient was chosen such that the bladder shapes in the training set could be represented by such number of PCA modes with less than 0.1 cm mean residual error. The automatic segmentation started from the bladder shape of a reference CBCT, which was adjusted by changing the weight of each PCA mode. As a result, the segmentation contour was deformed consistently with the training set to fit the bladder in the validation image. A cost function was defined by the absolute difference between the directional gradient field of reference CBCT sampled on the corresponding bladder contour and the directional gradient field of validation

  8. The neural basis of trait self-esteem revealed by the amplitude of low-frequency fluctuations and resting state functional connectivity.

    Science.gov (United States)

    Pan, Weigang; Liu, Congcong; Yang, Qian; Gu, Yan; Yin, Shouhang; Chen, Antao

    2016-03-01

    Self-esteem is an affective, self-evaluation of oneself and has a significant effect on mental and behavioral health. Although research has focused on the neural substrates of self-esteem, little is known about the spontaneous brain activity that is associated with trait self-esteem (TSE) during the resting state. In this study, we used the resting-state functional magnetic resonance imaging (fMRI) signal of the amplitude of low-frequency fluctuations (ALFFs) and resting state functional connectivity (RSFC) to identify TSE-related regions and networks. We found that a higher level of TSE was associated with higher ALFFs in the left ventral medial prefrontal cortex (vmPFC) and lower ALFFs in the left cuneus/lingual gyrus and right lingual gyrus. RSFC analyses revealed that the strengths of functional connectivity between the left vmPFC and bilateral hippocampus were positively correlated with TSE; however, the connections between the left vmPFC and right inferior frontal gyrus and posterior superior temporal sulcus were negatively associated with TSE. Furthermore, the strengths of functional connectivity between the left cuneus/lingual gyrus and right dorsolateral prefrontal cortex and anterior cingulate cortex were positively related to TSE. These findings indicate that TSE is linked to core regions in the default mode network and social cognition network, which is involved in self-referential processing, autobiographical memory and social cognition. © The Author (2015). Published by Oxford University Press. For Permissions, please email: journals.permissions@oup.com.

  9. SU-F-BRE-08: Feasibility of 3D Printed Patient Specific Phantoms for IMRT/IGRT QA

    International Nuclear Information System (INIS)

    Ehler, E; Higgins, P; Dusenbery, K

    2014-01-01

    Purpose: Test the feasibility of 3D printed, per-patient phantoms for IMRT QA to analyze the treatment delivery quality within the patient geometry. Methods: Using the head and neck region of an anthropomorphic phantom as a substitute for an actual patient, a soft-tissue equivalent model was constructed with the use of a 3D printer. A nine-field IMRT plan was constructed and dose verification measurements were performed for the 3D printed phantom. During the delivery of the IMRT QA on to the 3D printed phantom, the same patient positioning indexing system was used on the phantom and image guidance (cone beam CT) was used to localize the phantom, serving as a test of the IGRT system as well. The 3D printed phantom was designed to accommodate four radiochromic film planes (two axial, one coronal and one sagittal) and an ionization chamber measurement. As a frame of comparison, the IMRT QA was also performed on traditional phantoms. Dosimetric tolerance levels such as 3mm / 3% Gamma Index as well as 3% and 5% dose difference were considered. All detector systems were calibrated against a NIST traceable ionization chamber. Results: Comparison of results 3D printed patient phantom with the standard IMRT QA systems showed similar passing rates for the 3D printed phantom and the standard phantoms. However, the locations of the failing regions did not necessarily correlate. The 3D printed phantom was localized within 1 mm and 1° using on-board cone beam CT. Conclusion: A custom phantom was created using a 3D printer. It was determined that the use of patient specific phantoms to perform dosimetric verification and estimate the dose in the patient is feasible. In addition, end-to-end testing on a per-patient basis was possible with the 3D printed phantom. Further refinement of the phantom construction process is needed for routine clinical use

  10. SU-F-BRE-08: Feasibility of 3D Printed Patient Specific Phantoms for IMRT/IGRT QA

    Energy Technology Data Exchange (ETDEWEB)

    Ehler, E; Higgins, P; Dusenbery, K [University of Minnesota, Minneapolis, MN (United States)

    2014-06-15

    Purpose: Test the feasibility of 3D printed, per-patient phantoms for IMRT QA to analyze the treatment delivery quality within the patient geometry. Methods: Using the head and neck region of an anthropomorphic phantom as a substitute for an actual patient, a soft-tissue equivalent model was constructed with the use of a 3D printer. A nine-field IMRT plan was constructed and dose verification measurements were performed for the 3D printed phantom. During the delivery of the IMRT QA on to the 3D printed phantom, the same patient positioning indexing system was used on the phantom and image guidance (cone beam CT) was used to localize the phantom, serving as a test of the IGRT system as well. The 3D printed phantom was designed to accommodate four radiochromic film planes (two axial, one coronal and one sagittal) and an ionization chamber measurement. As a frame of comparison, the IMRT QA was also performed on traditional phantoms. Dosimetric tolerance levels such as 3mm / 3% Gamma Index as well as 3% and 5% dose difference were considered. All detector systems were calibrated against a NIST traceable ionization chamber. Results: Comparison of results 3D printed patient phantom with the standard IMRT QA systems showed similar passing rates for the 3D printed phantom and the standard phantoms. However, the locations of the failing regions did not necessarily correlate. The 3D printed phantom was localized within 1 mm and 1° using on-board cone beam CT. Conclusion: A custom phantom was created using a 3D printer. It was determined that the use of patient specific phantoms to perform dosimetric verification and estimate the dose in the patient is feasible. In addition, end-to-end testing on a per-patient basis was possible with the 3D printed phantom. Further refinement of the phantom construction process is needed for routine clinical use.

  11. GPU-accelerated Lattice Boltzmann method for anatomical extraction in patient-specific computational hemodynamics

    Science.gov (United States)

    Yu, H.; Wang, Z.; Zhang, C.; Chen, N.; Zhao, Y.; Sawchuk, A. P.; Dalsing, M. C.; Teague, S. D.; Cheng, Y.

    2014-11-01

    Existing research of patient-specific computational hemodynamics (PSCH) heavily relies on software for anatomical extraction of blood arteries. Data reconstruction and mesh generation have to be done using existing commercial software due to the gap between medical image processing and CFD, which increases computation burden and introduces inaccuracy during data transformation thus limits the medical applications of PSCH. We use lattice Boltzmann method (LBM) to solve the level-set equation over an Eulerian distance field and implicitly and dynamically segment the artery surfaces from radiological CT/MRI imaging data. The segments seamlessly feed to the LBM based CFD computation of PSCH thus explicit mesh construction and extra data management are avoided. The LBM is ideally suited for GPU (graphic processing unit)-based parallel computing. The parallel acceleration over GPU achieves excellent performance in PSCH computation. An application study will be presented which segments an aortic artery from a chest CT dataset and models PSCH of the segmented artery.

  12. Generation of patient-specific induced pluripotent stem cells from Leber's hereditary optic neuropathy

    Directory of Open Access Journals (Sweden)

    Huai-En Lu

    2018-04-01

    Full Text Available Leber's hereditary optic neuropathy (LHON is a maternally inherited mitochondrial disease caused by homoplasmic point mutations in complex I subunit genes of mitochondrial DNA. In this report, we generated an induced pluripotent stem cell (iPSCs line, TVGH-iPSC-010-09, from the peripheral blood mononuclear cells of a female patient with Leber's hereditary optic neuropathy (LHON by using the Sendai-virus delivery system. The resulting iPSCs retained the disease-causing mitochondrial DNA mutation, expressed pluripotent markers and could differentiate into the three germ layers. We believe LHON patient-specific iPSCs provide a powerful in vitro model for evaluating the pathological phenotypes of the disease.

  13. Hemodynamics of a Patient-Specific Aneurysm Model with Proper Orthogonal Decomposition

    Science.gov (United States)

    Han, Suyue; Chang, Gary Han; Modarres-Sadeghi, Yahya

    2017-11-01

    Wall shear stress (WSS) and oscillatory shear index (OSI) are two of the most-widely studied hemodynamic quantities in cardiovascular systems that have been shown to have the ability to elicit biological responses of the arterial wall, which could be used to predict the aneurysm development and rupture. In this study, a reduced-order model (ROM) of the hemodynamics of a patient-specific cerebral aneurysm is studied. The snapshot Proper Orthogonal Decomposition (POD) is utilized to construct the reduced-order bases of the flow using a CFD training set with known inflow parameters. It was shown that the area of low WSS and high OSI is correlated to higher POD modes. The resulting ROM can reproduce both WSS and OSI computationally for future parametric studies with significantly less computational cost. Agreement was observed between the WSS and OSI values obtained using direct CFD results and ROM results.

  14. Modeling Patient-Specific Magnetic Drug Targeting Within the Intracranial Vasculature.

    Science.gov (United States)

    Patronis, Alexander; Richardson, Robin A; Schmieschek, Sebastian; Wylie, Brian J N; Nash, Rupert W; Coveney, Peter V

    2018-01-01

    Drug targeting promises to substantially enhance future therapies, for example through the focussing of chemotherapeutic drugs at the site of a tumor, thus reducing the exposure of healthy tissue to unwanted damage. Promising work on the steering of medication in the human body employs magnetic fields acting on nanoparticles made of paramagnetic materials. We develop a computational tool to aid in the optimization of the physical parameters of these particles and the magnetic configuration, estimating the fraction of particles reaching a given target site in a large patient-specific vascular system for different physiological states (heart rate, cardiac output, etc.). We demonstrate the excellent computational performance of our model by its application to the simulation of paramagnetic-nanoparticle-laden flows in a circle of Willis geometry obtained from an MRI scan. The results suggest a strong dependence of the particle density at the target site on the strength of the magnetic forcing and the velocity of the background fluid flow.

  15. Improvements on a patient-specific dose estimation system in nuclear medicine examination

    International Nuclear Information System (INIS)

    Chuang, K. S.; Lu, J. C.; Lin, H. H.; Dong, S. L.; Yang, H. J.; Shih, C. T.; Lin, C. H.; Yao, W. J.; Ni, Y. C.; Jan, M. L.; Chang, S. J.

    2014-01-01

    The purpose of this paper is to develop a patient-specific dose estimation system in nuclear medicine examination. A dose deposition routine to store the deposited energy of the photons during their flights was embedded in the widely used SimSET Monte Carlo code and a user-friendly interface for reading PET and CT images was developed. Dose calculated on ORNL phantom was used to validate the accuracy of this system. The ratios of S value for 99m Tc, 18 F and 131 I computed by this system to those obtained with OLINDA for various organs were ranged from 0.93 to 1.18, which were comparable to that obtained from MCNPX2.6 code (0.88-1.22). Our system developed provides opportunity for tumor dose estimation which cannot be known from the MIRD. The radiation dose can provide useful information in the amount of radioisotopes to be administered in radioimmunotherapy. (authors)

  16. Fast Setting Silk Fibroin Bioink for Bioprinting of Patient-Specific Memory-Shape Implants.

    Science.gov (United States)

    Costa, João B; Silva-Correia, Joana; Oliveira, Joaquim M; Reis, Rui L

    2017-11-01

    The pursuit for the "perfect" biomimetic and personalized implant for musculoskeletal tissue regeneration remains a big challenge. 3D printing technology that makes use of a novel and promising biomaterials can be part of the solution. In this study, a fast setting enzymatic-crosslinked silk fibroin (SF) bioink for 3D bioprinting is developed. Their properties are fine-tuned and different structures with good resolution, reproducibility, and reliability can be fabricated. Many potential applications exist for the SF bioinks including 3D bioprinted scaffolds and patient-specific implants exhibiting unique characteristics such as good mechanical properties, memory-shape feature, suitable degradation, and tunable pore architecture and morphology. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Synchrony, compensatory dynamics, and the functional trait basis of phenological diversity in a tropical dry forest tree community: effects of rainfall seasonality

    Science.gov (United States)

    Lasky, Jesse R.; Uriarte, María; Muscarella, Robert

    2016-11-01

    Interspecific variation in phenology is a key axis of functional diversity, potentially mediating how communities respond to climate change. The diverse drivers of phenology act across multiple temporal scales. For example, abiotic constraints favor synchronous reproduction (positive covariance among species), while biotic interactions can favor synchrony or compensatory dynamics (negative covariance). We used wavelet analyses to examine phenology of community flower and seed production for 45 tree species across multiple temporal scales in a tropical dry forest in Puerto Rico with marked rainfall seasonality. We asked three questions: (1) do species exhibit synchronous or compensatory temporal dynamics in reproduction, (2) do interspecific differences in phenology reflect variable responses to rainfall, and (3) is interspecific variation in phenology and response to a major drought associated with functional traits that mediate responses to moisture? Community-level flowering was synchronized at seasonal scales (˜5-6 mo) and at short scales (˜1 mo, following rainfall). However, seed rain exhibited significant compensatory dynamics at intraseasonal scales (˜3 mo), suggesting interspecific variation in temporal niches. Species with large leaves (associated with sensitivity to water deficit) peaked in reproduction synchronously with the peak of seasonal rainfall (˜5 mo scale). By contrast, species with high wood specific gravity (associated with drought resistance) tended to flower in drier periods. Flowering of tall species and those with large leaves was most tightly linked to intraseasonal (˜2 mo scale) rainfall fluctuations. Although the 2015 drought dramatically reduced community-wide reproduction, functional traits were not associated with the magnitude of species-specific declines. Our results suggest opposing drivers of synchronous versus compensatory dynamics at different temporal scales. Phenology associations with functional traits indicated that

  18. Developing a Korean standard brain atlas on the basis of statistical and probabilistic approach and visualization tool for functional image analysis

    Energy Technology Data Exchange (ETDEWEB)

    Koo, B. B.; Lee, J. M.; Kim, J. S.; Kim, I. Y.; Kim, S. I. [Hanyang University, Seoul (Korea, Republic of); Lee, J. S.; Lee, D. S.; Kwon, J. S. [Seoul National University College of Medicine, Seoul (Korea, Republic of); Kim, J. J. [Yonsei University College of Medicine, Seoul (Korea, Republic of)

    2003-06-01

    The probabilistic anatomical maps are used to localize the functional neuro-images and morphological variability. The quantitative indicator is very important to inquire the anatomical position of an activated region because functional image data has the low-resolution nature and no inherent anatomical information. Although previously developed MNI probabilistic anatomical map was enough to localize the data, it was not suitable for the Korean brains because of the morphological difference between Occidental and Oriental. In this study, we develop a probabilistic anatomical map for Korean normal brain. Normal 75 brains of T1-weighted spoiled gradient echo magnetic resonance images were acquired on a 1.5-T GESIGNA scanner. Then, a standard brain is selected in the group through a clinician searches a brain of the average property in the Talairach coordinate system. With the standard brain, an anatomist delineates 89 regions of interest (ROI) parcellating cortical and subcortical areas. The parcellated ROIs of the standard are warped and overlapped into each brain by maximizing intensity similarity. And every brain is automatically labeled with the registered ROIs. Each of the same-labeled region is linearly normalize to the standard brain, and the occurrence of each region is counted. Finally, 89 probabilistic ROI volumes are generated. This paper presents a probabilistic anatomical map for localizing the functional and structural analysis of Korean normal brain. In the future, we'll develop the group specific probabilistic anatomical maps of OCD and schizophrenia disease.

  19. Developing a Korean standard brain atlas on the basis of statistical and probabilistic approach and visualization tool for functional image analysis

    International Nuclear Information System (INIS)

    Koo, B. B.; Lee, J. M.; Kim, J. S.; Kim, I. Y.; Kim, S. I.; Lee, J. S.; Lee, D. S.; Kwon, J. S.; Kim, J. J.

    2003-01-01

    The probabilistic anatomical maps are used to localize the functional neuro-images and morphological variability. The quantitative indicator is very important to inquire the anatomical position of an activated region because functional image data has the low-resolution nature and no inherent anatomical information. Although previously developed MNI probabilistic anatomical map was enough to localize the data, it was not suitable for the Korean brains because of the morphological difference between Occidental and Oriental. In this study, we develop a probabilistic anatomical map for Korean normal brain. Normal 75 brains of T1-weighted spoiled gradient echo magnetic resonance images were acquired on a 1.5-T GESIGNA scanner. Then, a standard brain is selected in the group through a clinician searches a brain of the average property in the Talairach coordinate system. With the standard brain, an anatomist delineates 89 regions of interest (ROI) parcellating cortical and subcortical areas. The parcellated ROIs of the standard are warped and overlapped into each brain by maximizing intensity similarity. And every brain is automatically labeled with the registered ROIs. Each of the same-labeled region is linearly normalize to the standard brain, and the occurrence of each region is counted. Finally, 89 probabilistic ROI volumes are generated. This paper presents a probabilistic anatomical map for localizing the functional and structural analysis of Korean normal brain. In the future, we'll develop the group specific probabilistic anatomical maps of OCD and schizophrenia disease

  20. EFFECTS OF PARENT ARTERY SEGMENTATION AND ANEURISMALWALL ELASTICITY ON PATIENT-SPECIFIC HEMODYNAMIC SIMULATIONS

    Institute of Scientific and Technical Information of China (English)

    CHEN Jia-liang; DING Guang-hong; YANG Xin-jian; LI Hai-yun

    2011-01-01

    It is well known that hemodynamics and wall tension play an important role in the formation,growth and rupture of aneurysms.In the present study,the authors investigated the influence of parent artery segmentation and aneurismal-wall elasticity on patient-specific hemodynamic simulations with two patient-specific eases of cerebral aneurysms.Realistic models of the aneurysms were constructed from 3-D angiography images and blood flow dynamics was studied under physiologically representative waveform of inflow.For each aneurysm three computational models were constructed:Model 1 with more extensive upstream parent artery with the rigid arterial and aneurismal wall,Model 2 with the partial upstream parent artery with the elastic arterial and aneurismal wall,Model 3 with more extensive upstream parent artery with the rigid wall for arterial wall far from the aneurysm and the elastic wall for arterial wall near the aneurysm.The results show that Model 1 could predict complex intra-aneurismal flow patterns and wall shear stress distribution in the aneurysm,but is unable to give aneurismal wall deformation and tension,Model 2 demonstrates aneurismal wall deformation and tension,but fails to properly model inflow pattern contributed by the upstream parent artery,resulting in local misunderstanding Wall Shear Stress (WSS) distribution,Model 3 can overcome limitations of the former two models,and give an overall and accurate analysis on intra-aneurismal flow patterns,wall shear stress distribution,aneurismal-wall deformation and tension.Therefore we suggest that the proper length of extensive upstream parent artery and aneuri-smal-wall elasticity should be considered carefully in establishing computational model to predict the intra-aneurismal hemodynamic and wall tension.

  1. The technique for 3D printing patient-specific models for auricular reconstruction.

    Science.gov (United States)

    Flores, Roberto L; Liss, Hannah; Raffaelli, Samuel; Humayun, Aiza; Khouri, Kimberly S; Coelho, Paulo G; Witek, Lukasz

    2017-06-01

    Currently, surgeons approach autogenous microtia repair by creating a two-dimensional (2D) tracing of the unaffected ear to approximate a three-dimensional (3D) construct, a difficult process. To address these shortcomings, this study introduces the fabrication of patient-specific, sterilizable 3D printed auricular model for autogenous auricular reconstruction. A high-resolution 3D digital photograph was captured of the patient's unaffected ear and surrounding anatomic structures. The photographs were exported and uploaded into Amira, for transformation into a digital (.stl) model, which was imported into Blender, an open source software platform for digital modification of data. The unaffected auricle as digitally isolated and inverted to render a model for the contralateral side. The depths of the scapha, triangular fossa, and cymba were deepened to accentuate their contours. Extra relief was added to the helical root to further distinguish this structure. The ear was then digitally deconstructed and separated into its individual auricular components for reconstruction. The completed ear and its individual components were 3D printed using polylactic acid filament and sterilized following manufacturer specifications. The sterilized models were brought to the operating room to be utilized by the surgeon. The models allowed for more accurate anatomic measurements compared to 2D tracings, which reduced the degree of estimation required by surgeons. Approximately 20 g of the PLA filament were utilized for the construction of these models, yielding a total material cost of approximately $1. Using the methodology detailed in this report, as well as departmentally available resources (3D digital photography and 3D printing), a sterilizable, patient-specific, and inexpensive 3D auricular model was fabricated to be used intraoperatively. This technique of printing customized-to-patient models for surgeons to use as 'guides' shows great promise. Copyright © 2017 European

  2. Patient-specific pediatric silicone heart valve models based on 3D ultrasound

    Science.gov (United States)

    Ilina, Anna; Lasso, Andras; Jolley, Matthew A.; Wohler, Brittany; Nguyen, Alex; Scanlan, Adam; Baum, Zachary; McGowan, Frank; Fichtinger, Gabor

    2017-03-01

    PURPOSE: Patient-specific heart and valve models have shown promise as training and planning tools for heart surgery, but physically realistic valve models remain elusive. Available proprietary, simulation-focused heart valve models are generic adult mitral valves and do not allow for patient-specific modeling as may be needed for rare diseases such as congenitally abnormal valves. We propose creating silicone valve models from a 3D-printed plastic mold as a solution that can be adapted to any individual patient and heart valve at a fraction of the cost of direct 3D-printing using soft materials. METHODS: Leaflets of a pediatric mitral valve, a tricuspid valve in a patient with hypoplastic left heart syndrome, and a complete atrioventricular canal valve were segmented from ultrasound images. A custom software was developed to automatically generate molds for each valve based on the segmentation. These molds were 3D-printed and used to make silicone valve models. The models were designed with cylindrical rims of different sizes surrounding the leaflets, to show the outline of the valve and add rigidity. Pediatric cardiac surgeons practiced suturing on the models and evaluated them for use as surgical planning and training tools. RESULTS: Five out of six surgeons reported that the valve models would be very useful as training tools for cardiac surgery. In this first iteration of valve models, leaflets were felt to be unrealistically thick or stiff compared to real pediatric leaflets. A thin tube rim was preferred for valve flexibility. CONCLUSION: The valve models were well received and considered to be valuable and accessible tools for heart valve surgery training. Further improvements will be made based on surgeons' feedback.

  3. Challenges and limitations of patient-specific vascular phantom fabrication using 3D Polyjet printing

    Science.gov (United States)

    Ionita, Ciprian N.; Mokin, Maxim; Varble, Nicole; Bednarek, Daniel R.; Xiang, Jianping; Snyder, Kenneth V.; Siddiqui, Adnan H.; Levy, Elad I.; Meng, Hui; Rudin, Stephen

    2014-03-01

    Additive manufacturing (3D printing) technology offers a great opportunity towards development of patient-specific vascular anatomic models, for medical device testing and physiological condition evaluation. However, the development process is not yet well established and there are various limitations depending on the printing materials, the technology and the printer resolution. Patient-specific neuro-vascular anatomy was acquired from computed tomography angiography and rotational digital subtraction angiography (DSA). The volumes were imported into a Vitrea 3D workstation (Vital Images Inc.) and the vascular lumen of various vessels and pathologies were segmented using a "marching cubes" algorithm. The results were exported as Stereo Lithographic (STL) files and were further processed by smoothing, trimming, and wall extrusion (to add a custom wall to the model). The models were printed using a Polyjet printer, Eden 260V (Objet-Stratasys). To verify the phantom geometry accuracy, the phantom was reimaged using rotational DSA, and the new data was compared with the initial patient data. The most challenging part of the phantom manufacturing was removal of support material. This aspect could be a serious hurdle in building very tortuous phantoms or small vessels. The accuracy of the printed models was very good: distance analysis showed average differences of 120 μm between the patient and the phantom reconstructed volume dimensions. Most errors were due to residual support material left in the lumen of the phantom. Despite the post-printing challenges experienced during the support cleaning, this technology could be a tremendous benefit to medical research such as in device development and testing.

  4. Patient-specific in silico models can quantify primary implant stability in elderly human bone.

    Science.gov (United States)

    Steiner, Juri A; Hofmann, Urs A T; Christen, Patrik; Favre, Jean M; Ferguson, Stephen J; van Lenthe, G Harry

    2018-03-01

    Secure implant fixation is challenging in osteoporotic bone. Due to the high variability in inter- and intra-patient bone quality, ex vivo mechanical testing of implants in bone is very material- and time-consuming. Alternatively, in silico models could substantially reduce costs and speed up the design of novel implants if they had the capability to capture the intricate bone microstructure. Therefore, the aim of this study was to validate a micro-finite element model of a multi-screw fracture fixation system. Eight human cadaveric humerii were scanned using micro-CT and mechanically tested to quantify bone stiffness. Osteotomy and fracture fixation were performed, followed by mechanical testing to quantify displacements at 12 different locations on the instrumented bone. For each experimental case, a micro-finite element model was created. From the micro-finite element analyses of the intact model, the patient-specific bone tissue modulus was determined such that the simulated apparent stiffness matched the measured stiffness of the intact bone. Similarly, the tissue modulus of a small damage region around each screw was determined for the instrumented bone. For validation, all in silico models were rerun using averaged material properties, resulting in an average coefficient of determination of 0.89 ± 0.04 with a slope of 0.93 ± 0.19 and a mean absolute error of 43 ± 10 μm when correlating in silico marker displacements with the ex vivo test. In conclusion, we validated a patient-specific computer model of an entire organ bone-implant system at the tissue-level at high resolution with excellent overall accuracy. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 36:954-962, 2018. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc.

  5. Functionalized PHB granules provide the basis for the efficient side-chain cleavage of cholesterol and analogs in recombinant Bacillus megaterium.

    Science.gov (United States)

    Gerber, Adrian; Kleser, Michael; Biedendieck, Rebekka; Bernhardt, Rita; Hannemann, Frank

    2015-07-29

    Cholesterol, the precursor of all steroid hormones, is the most abundant steroid in vertebrates and exhibits highly hydrophobic properties, rendering it a difficult substrate for aqueous microbial biotransformations. In the present study, we developed a Bacillus megaterium based whole-cell system that allows the side-chain cleavage of this sterol and investigated the underlying physiological basis of the biocatalysis. CYP11A1, the side-chain cleaving cytochrome P450, was recombinantly expressed in the Gram-positive soil bacterium B. megaterium combined with the required electron transfer proteins. By applying a mixture of 2-hydroxypropyl-β-cyclodextrin and Quillaja saponin as solubilizing agents, the zoosterols cholesterol and 7-dehydrocholesterol, as well as the phytosterol β-sitosterol could be efficiently converted to pregnenolone or 7-dehydropregnenolone. Fluorescence-microscopic analysis revealed that cholesterol accumulates in the carbon and energy storage-serving poly(3-hydroxybutyrate) (PHB) bodies and that the membrane proteins CYP11A1 and its redox partner adrenodoxin reductase (AdR) are likewise localized to their surrounding phospholipid/protein monolayer. The capacity to store cholesterol was absent in a mutant strain devoid of the PHB-producing polymerase subunit PhaC, resulting in a drastically decreased cholesterol conversion rate, while no effect on the expression of the recombinant proteins could be observed. We established a whole-cell system based on B. megaterium, which enables the conversion of the steroid hormone precursor cholesterol to pregnenolone in substantial quantities. We demonstrate that the microorganism's PHB granules, aggregates of bioplastic coated with a protein/phospholipid monolayer, are crucial for the high conversion rate by serving as substrate storage. This microbial system opens the way for an industrial conversion of the abundantly available cholesterol to any type of steroid hormones, which represent one of the

  6. Personalized Medicine: Cell and Gene Therapy Based on Patient-Specific iPSC-Derived Retinal Pigment Epithelium Cells.

    Science.gov (United States)

    Li, Yao; Chan, Lawrence; Nguyen, Huy V; Tsang, Stephen H

    2016-01-01

    Interest in generating human induced pluripotent stem (iPS) cells for stem cell modeling of diseases has overtaken that of patient-specific human embryonic stem cells due to the ethical, technical, and political concerns associated with the latter. In ophthalmology, researchers are currently using iPS cells to explore various applications, including: (1) modeling of retinal diseases using patient-specific iPS cells; (2) autologous transplantation of differentiated retinal cells that undergo gene correction at the iPS cell stage via gene editing tools (e.g., CRISPR/Cas9, TALENs and ZFNs); and (3) autologous transplantation of patient-specific iPS-derived retinal cells treated with gene therapy. In this review, we will discuss the uses of patient-specific iPS cells for differentiating into retinal pigment epithelium (RPE) cells, uncovering disease pathophysiology, and developing new treatments such as gene therapy and cell replacement therapy via autologous transplantation.

  7. Molecular basis of the fructose-2,6-bisphosphatase reaction of PFKFB3: Transition state and the C-terminal function

    International Nuclear Information System (INIS)

    Cavalier, Michael C.; Kim, Song-Gun; Neau, David; Lee, Yong-Hwan

    2012-01-01

    The molecular basis of fructose-2,6-bisphosphatase (F-2,6-P 2 ase) of 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase (PFKFB) was investigated using the crystal structures of the human inducible form (PFKFB3) in a phospho-enzyme intermediate state (PFKFB3-P · F-6-P), in a transition state-analogous complex (PFKFB3 · AlF 4 ), and in a complex with pyrophosphate (PFKFB3 · PP i ) at resolutions of 2.45, 2.2, and 2.3 (angstrom), respectively. Trapping the PFKFB3-P · F-6-P intermediate was achieved by flash cooling the crystal during the reaction, and the PFKFB3 · AlF 4 and PFKFB3 · PP i complexes were obtained by soaking. The PFKFB3 · AlF 4 and PFKFB3 · PP i complexes resulted in removing F-6-P from the catalytic pocket. With these structures, the structures of the Michaelis complex and the transition state were extrapolated. For both the PFKFB3-P formation and break down, the phosphoryl donor and the acceptor are located within ∼5.1 (angstrom), and the pivotal point 2-P is on the same line, suggesting an 'in-line' transfer with a direct inversion of phosphate configuration. The geometry suggests that NE2 of His253 undergoes a nucleophilic attack to form a covalent N-P bond, breaking the 2O-P bond in the substrate. The resulting high reactivity of the leaving group, 2O of F-6-P, is neutralized by a proton donated by Glu322. Negative charges on the equatorial oxygen of the transient bipyramidal phosphorane formed during the transfer are stabilized by Arg252, His387, and Asn259. The C-terminal domain (residues 440-446) was rearranged in PFKFB3 · PP i , implying that this domain plays a critical role in binding of substrate to and release of product from the F-2,6-P 2 ase catalytic pocket. These findings provide a new insight into the understanding of the phosphoryl transfer reaction.

  8. MO-DE-207B-03: Improved Cancer Classification Using Patient-Specific Biological Pathway Information Via Gene Expression Data

    Energy Technology Data Exchange (ETDEWEB)

    Young, M; Craft, D [Massachusetts General Hospital and Harvard Medical School, Boston, MA (United States)

    2016-06-15

    Purpose: To develop an efficient, pathway-based classification system using network biology statistics to assist in patient-specific response predictions to radiation and drug therapies across multiple cancer types. Methods: We developed PICS (Pathway Informed Classification System), a novel two-step cancer classification algorithm. In PICS, a matrix m of mRNA expression values for a patient cohort is collapsed into a matrix p of biological pathways. The entries of p, which we term pathway scores, are obtained from either principal component analysis (PCA), normal tissue centroid (NTC), or gene expression deviation (GED). The pathway score matrix is clustered using both k-means and hierarchical clustering, and a clustering is judged by how well it groups patients into distinct survival classes. The most effective pathway scoring/clustering combination, per clustering p-value, thus generates various ‘signatures’ for conventional and functional cancer classification. Results: PICS successfully regularized large dimension gene data, separated normal and cancerous tissues, and clustered a large patient cohort spanning six cancer types. Furthermore, PICS clustered patient cohorts into distinct, statistically-significant survival groups. For a suboptimally-debulked ovarian cancer set, the pathway-classified Kaplan-Meier survival curve (p = .00127) showed significant improvement over that of a prior gene expression-classified study (p = .0179). For a pancreatic cancer set, the pathway-classified Kaplan-Meier survival curve (p = .00141) showed significant improvement over that of a prior gene expression-classified study (p = .04). Pathway-based classification confirmed biomarkers for the pyrimidine, WNT-signaling, glycerophosphoglycerol, beta-alanine, and panthothenic acid pathways for ovarian cancer. Despite its robust nature, PICS requires significantly less run time than current pathway scoring methods. Conclusion: This work validates the PICS method to improve

  9. 3D patient-specific models for left atrium characterization to support ablation in atrial fibrillation patients.

    Science.gov (United States)

    Valinoti, Maddalena; Fabbri, Claudio; Turco, Dario; Mantovan, Roberto; Pasini, Antonio; Corsi, Cristiana

    2018-01-01

    Radiofrequency ablation (RFA) is an important and promising therapy for atrial fibrillation (AF) patients. Optimization of patient selection and the availability of an accurate anatomical guide could improve RFA success rate. In this study we propose a unified, fully automated approach to build a 3D patient-specific left atrium (LA) model including pulmonary veins (PVs) in order to provide an accurate anatomical guide during RFA and without PVs in order to characterize LA volumetry and support patient selection for AF ablation. Magnetic resonance data from twenty-six patients referred for AF RFA were processed applying an edge-based level set approach guided by a phase-based edge detector to obtain the 3D LA model with PVs. An automated technique based on the shape diameter function was designed and applied to remove PVs and compute LA volume. 3D LA models were qualitatively compared with 3D LA surfaces acquired during the ablation procedure. An expert radiologist manually traced the LA on MR images twice. LA surfaces from the automatic approach and manual tracing were compared by mean surface-to-surface distance. In addition, LA volumes were compared with volumes from manual segmentation by linear and Bland-Altman analyses. Qualitative comparison of 3D LA models showed several inaccuracies, in particular PVs reconstruction was not accurate and left atrial appendage was missing in the model obtained during RFA procedure. LA surfaces were very similar (mean surface-to-surface distance: 2.3±0.7mm). LA volumes were in excellent agreement (y=1.03x-1.4, r=0.99, bias=-1.37ml (-1.43%) SD=2.16ml (2.3%), mean percentage difference=1.3%±2.1%). Results showed the proposed 3D patient-specific LA model with PVs is able to better describe LA anatomy compared to models derived from the navigation system, thus potentially improving electrograms and voltage information location and reducing fluoroscopic time during RFA. Quantitative assessment of LA volume derived from our 3D LA

  10. MO-DE-207A-12: Toward Patient-Specific 4DCT Reconstruction Using Adaptive Velocity Binning

    International Nuclear Information System (INIS)

    Morris, E.D.; Glide-Hurst, C.; Klahr, P.

    2016-01-01

    Purpose: While 4DCT provides organ/tumor motion information, it often samples data over 10–20 breathing cycles. For patients presenting with compromised pulmonary function, breathing patterns can change over the acquisition time, potentially leading to tumor delineation discrepancies. This work introduces a novel adaptive velocity-modulated binning (AVB) 4DCT algorithm that modulates the reconstruction based on the respiratory waveform, yielding a patient-specific 4DCT solution. Methods: AVB was implemented in a research reconstruction configuration. After filtering the respiratory waveform, the algorithm examines neighboring data to a phase reconstruction point and the temporal gate is widened until the difference between the reconstruction point and waveform exceeds a threshold value—defined as percent difference between maximum/minimum waveform amplitude. The algorithm only impacts reconstruction if the gate width exceeds a set minimum temporal width required for accurate reconstruction. A sensitivity experiment of threshold values (0.5, 1, 5, 10, and 12%) was conducted to examine the interplay between threshold, signal to noise ratio (SNR), and image sharpness for phantom and several patient 4DCT cases using ten-phase reconstructions. Individual phase reconstructions were examined. Subtraction images and regions of interest were compared to quantify changes in SNR. Results: AVB increased signal in reconstructed 4DCT slices for respiratory waveforms that met the prescribed criteria. For the end-exhale phases, where the respiratory velocity is low, patient data revealed a threshold of 0.5% demonstrated increased SNR in the AVB reconstructions. For intermediate breathing phases, threshold values were required to be >10% to notice appreciable changes in CT intensity with AVB. AVB reconstructions exhibited appreciably higher SNR and reduced noise in regions of interest that were photon deprived such as the liver. Conclusion: We demonstrated that patient-specific

  11. MO-DE-207A-12: Toward Patient-Specific 4DCT Reconstruction Using Adaptive Velocity Binning

    Energy Technology Data Exchange (ETDEWEB)

    Morris, E.D.; Glide-Hurst, C. [Henry Ford Health System, Detroit, MI (United States); Wayne State University, Detroit, MI (United States); Klahr, P. [Philips Healthcare, Cleveland, Ohio (United States)

    2016-06-15

    Purpose: While 4DCT provides organ/tumor motion information, it often samples data over 10–20 breathing cycles. For patients presenting with compromised pulmonary function, breathing patterns can change over the acquisition time, potentially leading to tumor delineation discrepancies. This work introduces a novel adaptive velocity-modulated binning (AVB) 4DCT algorithm that modulates the reconstruction based on the respiratory waveform, yielding a patient-specific 4DCT solution. Methods: AVB was implemented in a research reconstruction configuration. After filtering the respiratory waveform, the algorithm examines neighboring data to a phase reconstruction point and the temporal gate is widened until the difference between the reconstruction point and waveform exceeds a threshold value—defined as percent difference between maximum/minimum waveform amplitude. The algorithm only impacts reconstruction if the gate width exceeds a set minimum temporal width required for accurate reconstruction. A sensitivity experiment of threshold values (0.5, 1, 5, 10, and 12%) was conducted to examine the interplay between threshold, signal to noise ratio (SNR), and image sharpness for phantom and several patient 4DCT cases using ten-phase reconstructions. Individual phase reconstructions were examined. Subtraction images and regions of interest were compared to quantify changes in SNR. Results: AVB increased signal in reconstructed 4DCT slices for respiratory waveforms that met the prescribed criteria. For the end-exhale phases, where the respiratory velocity is low, patient data revealed a threshold of 0.5% demonstrated increased SNR in the AVB reconstructions. For intermediate breathing phases, threshold values were required to be >10% to notice appreciable changes in CT intensity with AVB. AVB reconstructions exhibited appreciably higher SNR and reduced noise in regions of interest that were photon deprived such as the liver. Conclusion: We demonstrated that patient-specific

  12. Fluid mechanics of blood flow in human fetal left ventricles based on patient-specific 4D ultrasound scans.

    Science.gov (United States)

    Lai, Chang Quan; Lim, Guat Ling; Jamil, Muhammad; Mattar, Citra Nurfarah Zaini; Biswas, Arijit; Yap, Choon Hwai

    2016-10-01

    The mechanics of intracardiac blood flow and the epigenetic influence it exerts over the heart function have been the subjects of intense research lately. Fetal intracardiac flows are especially useful for gaining insights into the development of congenital heart diseases, but have not received due attention thus far, most likely because of technical difficulties in collecting sufficient intracardiac flow data in a safe manner. Here, we circumvent such obstacles by employing 4D STIC ultrasound scans to quantify the fetal heart motion in three normal 20-week fetuses, subsequently performing 3D computational fluid dynamics simulations on the left ventricles based on these patient-specific heart movements. Analysis of the simulation results shows that there are significant differences between fetal and adult ventricular blood flows which arise because of dissimilar heart morphology, E/A ratio, diastolic-systolic duration ratio, and heart rate. The formations of ventricular vortex rings were observed for both E- and A-wave in the flow simulations. These vortices had sufficient momentum to last until the end of diastole and were responsible for generating significant wall shear stresses on the myocardial endothelium, as well as helicity in systolic outflow. Based on findings from previous studies, we hypothesized that these vortex-induced flow properties play an important role in sustaining the efficiency of diastolic filling, systolic pumping, and cardiovascular flow in normal fetal hearts.

  13. Disease-in-a-dish: the contribution of patient-specific induced pluripotent stem cell technology to regenerative rehabilitation.

    Science.gov (United States)

    Mack, David L; Guan, Xuan; Wagoner, Ashley; Walker, Stephen J; Childers, Martin K

    2014-11-01

    Advances in regenerative medicine technologies will lead to dramatic changes in how patients in rehabilitation medicine clinics are treated in the upcoming decades. The multidisciplinary field of regenerative medicine is developing new tools for disease modeling and drug discovery based on induced pluripotent stem cells. This approach capitalizes on the idea of personalized medicine by using the patient's own cells to discover new drugs, increasing the likelihood of a favorable outcome. The search for compounds that can correct disease defects in the culture dish is a conceptual departure from how drug screens were done in the past. This system proposes a closed loop from sample collection from the diseased patient, to in vitro disease model, to drug discovery and Food and Drug Administration approval, to delivering that drug back to the same patient. Here, recent progress in patient-specific induced pluripotent stem cell derivation, directed differentiation toward diseased cell types, and how those cells can be used for high-throughput drug screens are reviewed. Given that restoration of normal function is a driving force in rehabilitation medicine, the authors believe that this drug discovery platform focusing on phenotypic rescue will become a key contributor to therapeutic compounds in regenerative rehabilitation.

  14. Computational study to investigate effect of tonometer geometry and patient-specific variability on radial artery tonometry.

    Science.gov (United States)

    Singh, Pranjal; Choudhury, Mohammed Ikbal; Roy, Sitikantha; Prasad, Anamika

    2017-06-14

    Tonometry-based devices are valuable method for vascular function assessment and for measurement of blood pressure. However current design and calibration methods rely on simple models, neglecting key geometrical features, and anthropometric and property variability among patients. Understanding impact of these influences on tonometer measurement is thus essential for improving outcomes of current devices, and for proposing improved design. Towards this goal, we present a realistic computational model for tissue-device interaction using complete wrist section with hyperelastic material and frictional contact. Three different tonometry geometries were considered including a new design, and patient-specific influences incorporated via anthropometric and age-dependent tissue stiffness variations. The results indicated that the new design showed stable surface contact stress with minimum influence of the parameters analyzed. The computational predictions were validated with experimental data from a prototype based on the new design. Finally, we showed that the underlying mechanics of vascular unloading in tonometry to be fundamentally different from that of oscillatory method. Due to directional loading in tonometry, pulse amplitude maxima was observed to occur at a significantly lower compression level (around 31%) than previously reported, which can impact blood pressure calibration approaches based on maximum pulse pressure recordings. Copyright © 2017 Elsevier Ltd. All rights reserved.

  15. A software package for patient-specific dosimetry in the locoregional RIT of gliomas using 188Re labelled NIMOTUZUMAB

    International Nuclear Information System (INIS)

    Torres, L.A.; Coca, M.A.; Sanchez, Y.; Cornejo, N.; Catasus, C.; Denaro, M. de

    2008-01-01

    Full text: The locoregional treatment of high-grade gliomas using beta emitter compounds allows delivering high radiation doses in the tumor bed and the brain adjacent tissues of patients suffering these aggressive malignancies. The main goal of this work was to implement patient-specific dosimetry procedures using a voxel-based methodology in order to compute and analyze the three-dimensional doses distributions received by the patients undergoing loco-regional treatment of gliomas with the 188 Re labeled MAb NIMOTUZUMAB. A software package called TRIDOSE has been developed to perform the image managing, volume registration, dose calculations and qualitative and quantitative analysis of the results, including dose-volume histograms and isodose curves. The dosimetric factors at voxel level for 188 Re ('S' values) were estimated using two different methods, Monte Carlo simulations of energy transport and deposition and the integration of the dose kernel functions. A quality control module was also implemented in order to test the software using well-known 3D distribution of activities or counts. The TRIDOSE outputs were compared with other commercial software showing relative differences lower than 1.10% for different sphere sizes. The established dosimetric procedures constitute a useful tool to compute the absorbed doses received by patients undergoing radioimmunotherapy of brain tumors with 188 Re-NIMOTUZUMAB. (author)

  16. Design for Additive Bio-Manufacturing: From Patient-Specific Medical Devices to Rationally Designed Meta-Biomaterials.

    Science.gov (United States)

    Zadpoor, Amir A

    2017-07-25

    Recent advances in additive manufacturing (AM) techniques in terms of accuracy, reliability, the range of processable materials, and commercial availability have made them promising candidates for production of functional parts including those used in the biomedical industry. The complexity-for-free feature offered by AM means that very complex designs become feasible to manufacture, while batch-size-indifference enables fabrication of fully patient-specific medical devices. Design for AM (DfAM) approaches aim to fully utilize those features for development of medical devices with substantially enhanced performance and biomaterials with unprecedented combinations of favorable properties that originate from complex geometrical designs at the micro-scale. This paper reviews the most important approaches in DfAM particularly those applicable to additive bio-manufacturing including image-based design pipelines, parametric and non-parametric designs, metamaterials, rational and computationally enabled design, topology optimization, and bio-inspired design. Areas with limited research have been identified and suggestions have been made for future research. The paper concludes with a brief discussion on the practical aspects of DfAM and the potential of combining AM with subtractive and formative manufacturing processes in so-called hybrid manufacturing processes.

  17. Design for Additive Bio-Manufacturing: From Patient-Specific Medical Devices to Rationally Designed Meta-Biomaterials

    Directory of Open Access Journals (Sweden)

    Amir A. Zadpoor

    2017-07-01

    Full Text Available Recent advances in additive manufacturing (AM techniques in terms of accuracy, reliability, the range of processable materials, and commercial availability have made them promising candidates for production of functional parts including those used in the biomedical industry. The complexity-for-free feature offered by AM means that very complex designs become feasible to manufacture, while batch-size-indifference enables fabrication of fully patient-specific medical devices. Design for AM (DfAM approaches aim to fully utilize those features for development of medical devices with substantially enhanced performance and biomaterials with unprecedented combinations of favorable properties that originate from complex geometrical designs at the micro-scale. This paper reviews the most important approaches in DfAM particularly those applicable to additive bio-manufacturing including image-based design pipelines, parametric and non-parametric designs, metamaterials, rational and computationally enabled design, topology optimization, and bio-inspired design. Areas with limited research have been identified and suggestions have been made for future research. The paper concludes with a brief discussion on the practical aspects of DfAM and the potential of combining AM with subtractive and formative manufacturing processes in so-called hybrid manufacturing processes.

  18. Orbital Reconstruction: Patient-Specific Orbital Floor Reconstruction Using a Mirroring Technique and a Customized Titanium Mesh.

    Science.gov (United States)

    Tarsitano, Achille; Badiali, Giovanni; Pizzigallo, Angelo; Marchetti, Claudio

    2016-10-01

    Enophthalmos is a severe complication of primary reconstruction of orbital floor fractures. The goal of secondary reconstruction procedures is to restore symmetrical globe positions to recover function and aesthetics. The authors propose a new method of orbital floor reconstruction using a mirroring technique and a customized titanium mesh, printed using a direct metal laser-sintering method. This reconstructive protocol involves 4 steps: mirroring of the healthy orbit at the affected site, virtual design of a patient-specific orbital floor mesh, CAM procedures for direct laser-sintering of the customized titanium mesh, and surgical insertion of the device. Using a computed tomography data set, the normal, uninjured side of the craniofacial skeleton was reflected onto the contralateral injured side, and a reconstructive orbital floor mesh was designed virtually on the mirrored orbital bone surface. The solid-to-layer files of the mesh were then manufactured using direct metal laser sintering, which resolves the shaping and bending biases inherent in the indirect method. An intraoperative navigation system ensured accuracy of the entire procedure. Clinical outcomes were assessed using 3dMD photogrammetry and computed tomography data in 7 treated patients. The technique described here appears to be a viable method to correct complex orbital floor defects needing delayed reconstruction. This study represents the first step in the development of a wider experimental protocol for orbital floor reconstruction using computer-assisted design-computer-assisted manufacturing technology.

  19. Toward optimizing patient-specific IMRT QA techniques in the accurate detection of dosimetrically acceptable and unacceptable patient plans.

    Science.gov (United States)

    McKenzie, Elizabeth M; Balter, Peter A; Stingo, Francesco C; Jones, Jimmy; Followill, David S; Kry, Stephen F

    2014-12-01

    The authors investigated the performance of several patient-specific intensity-modulated radiation therapy (IMRT) quality assurance (QA) dosimeters in terms of their ability to correctly identify dosimetrically acceptable and unacceptable IMRT patient plans, as determined by an in-house-designed multiple ion chamber phantom used as the gold standard. A further goal was to examine optimal threshold criteria that were consistent and based on the same criteria among the various dosimeters. The authors used receiver operating characteristic (ROC) curves to determine the sensitivity and specificity of (1) a 2D diode array undergoing anterior irradiation with field-by-field evaluation, (2) a 2D diode array undergoing anterior irradiation with composite evaluation, (3) a 2D diode array using planned irradiation angles with composite evaluation, (4) a helical diode array, (5) radiographic film, and (6) an ion chamber. This was done with a variety of evaluation criteria for a set of 15 dosimetrically unacceptable and 9 acceptable clinical IMRT patient plans, where acceptability was defined on the basis of multiple ion chamber measurements using independent ion chambers and a phantom. The area under the curve (AUC) on the ROC curves was used to compare dosimeter performance across all thresholds. Optimal threshold values were obtained from the ROC curves while incorporating considerations for cost and prevalence of unacceptable plans. Using common clinical acceptance thresholds, most devices performed very poorly in terms of identifying unacceptable plans. Grouping the detector performance based on AUC showed two significantly different groups. The ion chamber, radiographic film, helical diode array, and anterior-delivered composite 2D diode array were in the better-performing group, whereas the anterior-delivered field-by-field and planned gantry angle delivery using the 2D diode array performed less well. Additionally, based on the AUCs, there was no significant difference

  20. The Organizational and Functional Basis of Economic Development of Society and Peculiarities of its Potential Dynamics under Conditions of Decentralization of Power

    Directory of Open Access Journals (Sweden)

    Slava Svitlana S.

    2016-05-01

    Full Text Available The article analyzes the listing of institutions and activities generated by these institutions, which as a whole are intended to stimulate the economic development of society under conditions of decentralization of power. The division of the institutions into government / quasigovernment, educational / scientific and business ones has been conducted. Quantitative and structural relations of organizational measures aimed at local economic development in view of these institutions have been analyzed. It was found that most of the organizational measures contributing to economic development of society can be taken by government / quasigovernment and business institutions, which amount to 85 % and 80 % respectively from the whole defined list of the institutions. Scientific and educational organizations have only 35 % in this structural distribution. That is, for today the functional content of the measures, which contribute to the local economic development, is more important for educational and scientific organizations since in this regard they are by 2-2.5 times behind the government and business institutions. This study also evaluates the level of coordination of the organization measures aimed at the local economic development in view of the institutions. In this case the most intensive measure will be creating municipal clusters, which can unite over 75 % of local institutions (13 institutions of 20 determined by the study. Collaboration with scientific, educational and finance and credit establishments is also characterized by a quite significant level of coordination — 50 %. Measures related to intensification of the business activity (business councils, fundraising, dissemination of best practices, etc. in view of their using by the considered institutions amount to about 30 %. The inter-municipal cooperation, organization of public hearings, e-governance and development of credit relations in society have the lowest level of

  1. Patient-specific induced pluripotent stem cells in neurological disease modeling: the importance of nonhuman primate models

    Directory of Open Access Journals (Sweden)

    Qiu Z

    2013-07-01

    Full Text Available Zhifang Qiu,1,2 Steven L Farnsworth,2 Anuja Mishra,1,2 Peter J Hornsby1,21Geriatric Research Education and Clinical Center, South Texas Veterans Health Care System, San Antonio, TX, USA; 2Barshop Institute for Longevity and Aging Studies, University of Texas Health Science Center, San Antonio, TX, USAAbstract: The development of the technology for derivation of induced pluripotent stem (iPS cells from human patients and animal models has opened up new pathways to the better understanding of many human diseases, and has created new opportunities for therapeutic approaches. Here, we consider one important neurological disease, Parkinson's, the development of relevant neural cell lines for studying this disease, and the animal models that are available for testing the survival and function of the cells, following transplantation into the central nervous system. Rapid progress has been made recently in the application of protocols for neuroectoderm differentiation and neural patterning of pluripotent stem cells. These developments have resulted in the ability to produce large numbers of dopaminergic neurons with midbrain characteristics for further study. These cells have been shown to be functional in both rodent and nonhuman primate (NHP models of Parkinson's disease. Patient-specific iPS cells and derived dopaminergic neurons have been developed, in particular from patients with genetic causes of Parkinson's disease. For complete modeling of the disease, it is proposed that the introduction of genetic changes into NHP iPS cells, followed by studying the phenotype of the genetic change in cells transplanted into the NHP as host animal, will yield new insights into disease processes not possible with rodent models alone.Keywords: Parkinson's disease, pluripotent cell differentiation, neural cell lines, dopaminergic neurons, cell transplantation, animal models

  2. Prediction of FAD binding sites in electron transport proteins according to efficient radial basis function networks and significant amino acid pairs.

    Science.gov (United States)

    Le, Nguyen-Quoc-Khanh; Ou, Yu-Yen

    2016-07-30

    transport proteins and can help biologists understand the functions of the electron transport chain, particularly those of FAD binding sites. We also developed a web server which identifies FAD binding sites in electron transporters available for academics.

  3. Microwave beamforming for non-invasive patient-specific hyperthermia treatment of pediatric brain cancer

    International Nuclear Information System (INIS)

    Burfeindt, Matthew J; Zastrow, Earl; Hagness, Susan C; Van Veen, Barry D; Medow, Joshua E

    2011-01-01

    We present a numerical study of an array-based microwave beamforming approach for non-invasive hyperthermia treatment of pediatric brain tumors. The transmit beamformer is designed to achieve localized heating-that is, to achieve constructive interference and selective absorption of the transmitted electromagnetic waves at the desired focus location in the brain while achieving destructive interference elsewhere. The design process takes into account patient-specific and target-specific propagation characteristics at 1 GHz. We evaluate the effectiveness of the beamforming approach using finite-difference time-domain simulations of two MRI-derived child head models from the Virtual Family (IT'IS Foundation). Microwave power deposition and the resulting steady-state thermal distribution are calculated for each of several randomly chosen focus locations. We also explore the robustness of the design to mismatch between the assumed and actual dielectric properties of the patient. Lastly, we demonstrate the ability of the beamformer to suppress hot spots caused by pockets of cerebrospinal fluid (CSF) in the brain. Our results show that microwave beamforming has the potential to create localized heating zones in the head models for focus locations that are not surrounded by large amounts of CSF. These promising results suggest that the technique warrants further investigation and development.

  4. Effect of exercise on patient specific abdominal aortic aneurysm flow topology and mixing.

    Science.gov (United States)

    Arzani, Amirhossein; Les, Andrea S; Dalman, Ronald L; Shadden, Shawn C

    2014-02-01

    Computational fluid dynamics modeling was used to investigate changes in blood transport topology between rest and exercise conditions in five patient-specific abdominal aortic aneurysm model