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.
Flexible Bit Preservation on a National Basis
DEFF Research Database (Denmark)
Jurik, Bolette; Nielsen, Anders Bo; Zierau, Eld
2012-01-01
In this paper we present the results from The Danish National Bit Repository project. The project aim was establishment of a system that can offer flexible and sustainable bit preservation solutions to Danish cultural heritage institutions. Here the bit preservation solutions must include support...... of bit safety as well as other requirements like e.g. confidentiality and availability. The Danish National Bit Repository is motivated by the need to investigate and handle bit preservation for digital cultural heritage. Digital preservation relies on the integrity of the bits which digital material...
Functional aspects of protein flexibility
DEFF Research Database (Denmark)
Teilum, Kaare; Olsen, Johan G; Kragelund, Birthe B
2009-01-01
this into an intuitive perception of protein function is challenging. Flexibility is of overwhelming importance for protein function, and the changes in protein structure during interactions with binding partners can be dramatic. The present review addresses protein flexibility, focusing on protein-ligand interactions...
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...
Functional flexible and wearable supercapacitors
International Nuclear Information System (INIS)
Huang, Yan; Zhi, Chunyi
2017-01-01
Substantial effort has been devoted to endowing flexible and wearable supercapacitors with desirable functions and solving urgent concerns regarding their practical application, particularly materials selection, air permeability, self-healability, shape memory, integration, and modularization. This gives rise to challenges with regard to both suitable materials and device fabrication. This review highlights the current state-of-the-art of these supercapacitors pertinent to materials, fabrication strategies, and performance. Challenges and solutions are also discussed to further improve their practicality. The aim of this review is to make a timely summary of this emerging field and discuss future opportunities and challenges. (topical review)
Functional flexible and wearable supercapacitors
Huang, Yan; Zhi, Chunyi
2017-07-01
Substantial effort has been devoted to endowing flexible and wearable supercapacitors with desirable functions and solving urgent concerns regarding their practical application, particularly materials selection, air permeability, self-healability, shape memory, integration, and modularization. This gives rise to challenges with regard to both suitable materials and device fabrication. This review highlights the current state-of-the-art of these supercapacitors pertinent to materials, fabrication strategies, and performance. Challenges and solutions are also discussed to further improve their practicality. The aim of this review is to make a timely summary of this emerging field and discuss future opportunities and challenges.
UNITY OF THE ORGANIZATIONAL FUNCTIONS FLEXIBILITY
George MOLDOVEANU; Cosmin DOBRIN
2012-01-01
The paper has the goal to analyse the correlation of the flexibility of all organizational functions. Based upon theoretical and practical studies, the decrease of flexibility into an "activity area" of organizations implies a diminution on a large scale of the flexibility of the processing system as a law expression of the decreasing outputs within economy. Therefore, at the level of each organizational function there are several major directions ensuring the flexibility of the "ensemble".
Fast radial basis functions for engineering applications
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...
Functional flexibility and team performance
Molleman, E.; Slomp, J.
1999-01-01
This study deals with workforce flexibility defined in terms of 'multifunctionality' and 'redundancy'. These concepts refer, respectively, to the number of different tasks a worker has mastered and the number of workers that are qualified to do a specific task. A third factor to be considered is
Functional Basis of Microorganism Classification.
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
Functional Basis of Microorganism Classification
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
Functional flexibility in wild bonobo vocal behaviour
Directory of Open Access Journals (Sweden)
Zanna Clay
2015-08-01
Full Text Available A shared principle in the evolution of language and the development of speech is the emergence of functional flexibility, the capacity of vocal signals to express a range of emotional states independently of context and biological function. Functional flexibility has recently been demonstrated in the vocalisations of pre-linguistic human infants, which has been contrasted to the functionally fixed vocal behaviour of non-human primates. Here, we revisited the presumed chasm in functional flexibility between human and non-human primate vocal behaviour, with a study on our closest living primate relatives, the bonobo (Pan paniscus. We found that wild bonobos use a specific call type (the “peep” across a range of contexts that cover the full valence range (positive-neutral-negative in much of their daily activities, including feeding, travel, rest, aggression, alarm, nesting and grooming. Peeps were produced in functionally flexible ways in some contexts, but not others. Crucially, calls did not vary acoustically between neutral and positive contexts, suggesting that recipients take pragmatic information into account to make inferences about call meaning. In comparison, peeps during negative contexts were acoustically distinct. Our data suggest that the capacity for functional flexibility has evolutionary roots that predate the evolution of human speech. We interpret this evidence as an example of an evolutionary early transition away from fixed vocal signalling towards functional flexibility.
Functional flexibility good for skills development
Houtman, I.L.D.
2004-01-01
Functional flexibility, making optimal use of the employee’s capacity to perform different tasks, is positively related to skills development and involvement in decision-making. It may lead to emotional exhaustion, however, if an imbalance exists, such as high job demands combined with a lack of
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.
New basis set for the prediction of the specific rotation in flexible biological molecules
DEFF Research Database (Denmark)
Baranowska-Łaczkowska, Angelika; Z. Łaczkowski, Krzysztof Z. Łaczkowski; Henriksen, Christian
2016-01-01
are compared to those obtained with the (d-)aug-cc-pVXZ (X = D, T and Q) basis sets of Dunning et al. The ORP values are in good overall agreement with the aug-cc-pVTZ results making the ORP a good basis set for routine TD-DFT optical rotation calculations of conformationally flexible molecules. The results...
Doubly stochastic radial basis function methods
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).
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
Spherical radial basis functions, theory and applications
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...
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.
Reducing Approximation Error in the Fourier Flexible Functional Form
Directory of Open Access Journals (Sweden)
Tristan D. Skolrud
2017-12-01
Full Text Available The Fourier Flexible form provides a global approximation to an unknown data generating process. In terms of limiting function specification error, this form is preferable to functional forms based on second-order Taylor series expansions. The Fourier Flexible form is a truncated Fourier series expansion appended to a second-order expansion in logarithms. By replacing the logarithmic expansion with a Box-Cox transformation, we show that the Fourier Flexible form can reduce approximation error by 25% on average in the tails of the data distribution. The new functional form allows for nested testing of a larger set of commonly implemented functional forms.
Cognitive flexibility in adults with high functioning autism
Bogte, Hans; Flamma, Bert; van der Meere, Jaap; van Engeland, Herman
2008-01-01
The goal of the current study was to evaluate presetting, response inhibition, set shifting, and a priori planning in autism: abilities that can be lumped together under the term cognitive flexibility. Cognitive flexibility is an aspect of executive functioning, which in turn is mediated by the
A genetic basis for functional hypothalamic amenorrhea.
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...
A Genetic Basis for Functional Hypothalamic Amenorrhea
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
A genetic basis for functional hypothalamic amenorrhea.
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.).
Adaptive radial basis function mesh deformation using data reduction
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
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...
Humphrey, L. Dennis
1981-01-01
Flexibility is an important aspect of all sports and recreational activities. Flexibility can be developed and maintained by stretching exercises. Exercises designed to develop flexibility in ankle joints, knees, hips, and the lower back are presented. (JN)
Functional flexibility good for skills development
Goudswaard, A.
2004-01-01
Making optimal use of the employee’s capacity to perform different tasks (‘functional flexibility’) is positively related to skills development and involvement in decision-making. It may lead to emotional exhaustion, however, if an imbalance exists, such as high job demands combined with a lack of
Functional design criteria 241-AP-102 Flexible Receiver System
International Nuclear Information System (INIS)
Roblyer, S.P.
1995-01-01
A mixer pump was installed in the 1.07 m (42-in.) riser of the central pump pit of tank 241-AP-102 to mitigate potential fluid separation particle sedimentation by mixing the tank's contents. The mixer pump performed this function until failure. Its removal is now necessary to meet possible tank content removal commitments or other corrective actions. The proposed removal procedure requires a flexible receiver that will provide a barrier to contamination during removal and transfer of the pump to the mixer pump storage container. This document describes the functional design criteria of the flexible receiver. These criteria include the functional and performance requirements of the flexible receiver as a barrier to contamination during normal conditions and contingencies and the instrumentation requirements
Ouyang, Lei; Yao, Ling; Zhou, Taohong; Zhu, Lihua
2018-10-16
Malachite Green (MG) is a banned pesticide for aquaculture products. As a required inspection item, its fast and accurate determination before the products' accessing market is very important. Surface enhanced Raman scattering (SERS) is a promising tool for MG sensing, but it requires the overcoming of several problems such as fairly poor sensitivity and reproducibility, especially laser induced chemical conversion and photo-bleaching during SERS observation. By using a graphene wrapped Ag array based flexible membrane sensor, a modified SERS strategy was proposed for the sensitive and accurate detection of MG. The graphene layer functioned as an inert protector for impeding chemical transferring of the bioproduct Leucomalachite Green (LMG) to MG during the SERS detection, and as a heat transmitter for preventing laser induced photo-bleaching, which enables the separate detection of MG and LMG in fish extracts. The combination of the Ag array and the graphene cover also produced plentiful densely and uniformly distributed hot spots, leading to analytical enhancement factor up to 3.9 × 10 8 and excellent reproducibility (relative standard deviation low to 5.8% for 70 runs). The proposed method was easily used for MG detection with limit of detection (LOD) as low as 2.7 × 10 -11 mol L -1 . The flexibility of the sensor enable it have a merit for in-field fast detection of MG residues on the scale of a living fish through a surface extraction and paste transferring manner. The developed strategy was successfully applied in the analysis of real samples, showing good prospects for both the fast inspection and quantitative detection of MG. Copyright © 2018 Elsevier B.V. All rights reserved.
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.
Point Set Denoising Using Bootstrap-Based Radial Basis Function.
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.
Closed fringe demodulation using phase decomposition by Fourier basis functions.
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.
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.
Gaussian basis functions for highly oscillatory scattering wavefunctions
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.
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.
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.
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
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
Radial Basis Function Based Quadrature over Smooth Surfaces
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
Large-Eddy Simulation Using Projection onto Local Basis Functions
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.
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...
Diffusion Forecasting Model with Basis Functions from QR-Decomposition
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.
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
Quantum phase space with a basis of Wannier functions
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.
Compactly Supported Basis Functions as Support Vector Kernels for Classification.
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.
Matrix Transfer Function Design for Flexible Structures: An Application
Brennan, T. J.; Compito, A. V.; Doran, A. L.; Gustafson, C. L.; Wong, C. L.
1985-01-01
The application of matrix transfer function design techniques to the problem of disturbance rejection on a flexible space structure is demonstrated. The design approach is based on parameterizing a class of stabilizing compensators for the plant and formulating the design specifications as a constrained minimization problem in terms of these parameters. The solution yields a matrix transfer function representation of the compensator. A state space realization of the compensator is constructed to investigate performance and stability on the nominal and perturbed models. The application is made to the ACOSSA (Active Control of Space Structures) optical structure.
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
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.
On-line learning in radial basis functions networks
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 ...
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.
Flexible, wearable, and functional graphene-textile composites
Liu, Ying; Zhang, Kun-Ning; Zhang, Ying; Tao, Lu-Qi; Li, Yu-Xing; Wang, Dan-Yang; Yang, Yi; Ren, Tian-Ling
2017-06-01
In this paper, a flexible, wearable, and functional graphene-textile composite is demonstrated. Laser scribing technology is applied to fabricate a graphene film. The thin layer of polydimethylsiloxane is covered on the surface of the graphene-textile film evenly, which would improve the abrasive resistance of the film, enhance the ability to adapt to environmental changes, and extend the service life, while maintaining the device's excellent flexibility and comfort. The graphene-textile composite can achieve constant temperature heating by controlling the input voltage, detect the human movement, and perceive the human pulse signal. The composite presents great commercial prospects and a large value in the medical, daily wear, and other areas that are closely related to human lives.
Radial basis function and its application in tourism management
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.
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.
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
Extended dynamic oligopolies with flexible workforce and isoelastic price function
Directory of Open Access Journals (Sweden)
Akio Matsumoto
2016-11-01
Full Text Available Single-product oligopolies without product differentiation are examined with linear production, production adjustment, flexible workforce and investment costs. The price function is assumed to be hyperbolic which makes the nonlinearity of the model much stronger than in the case of linear price function examined earlier in the literature. The best responses of the firms are determined which are not monotonic in contrast to the linear case. The set of all steady states is then characterized and in the case of a duopoly it is illustrated. The asymptotical behavior of the steady states is examined by using simulation. We analyze the effects of such costs on the industry dynamics and compare them to the prediction by the well known model with hyperbolic price function and no product adjustment and investments costs.
Energy demand with the flexible double-logarithmic functional form
International Nuclear Information System (INIS)
Nan, G.D.; Murry, D.A.
1992-01-01
A flexible double-logarithmic function form is developed to meet assumptions of consumer behavior. Then annual residential and commercial data (1970-87) are applied to this functional form to examine demand for petroleum products, electricity, and natural gas in California. The traditional double log-linear functional form has shortcomings of constant elasticities. The regression equations in this study, with varied estimated elasticities, overcome some of these shortcomings. All short-run own-price elasticities are inelastic and all income elasticities are close to unity in this study. According to the short-run time-trend elasticities, consumers' fuel preference in California is electricity. The long-run income elasticities also indicate that the residential consumers will consume more electricity and natural gas as their energy budgets increase in the long run. 14 refs., 5 tabs
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....
The effect of flexible body armour on pulmonary function.
Armstrong, Nicola C; Gay, Louise A
2016-05-01
The additional mass and fit of current military in-service body armour (ISBA) can reduce pulmonary function in a way that is characteristic of a restrictive respiratory impairment. This could ultimately impair exercise capacity and military performance. This study compared pulmonary function (forced vital capacity [FVC] and forced expiratory volume in 1 s [FEV1]) in UK ISBA (15.3 kg) and three flexible body armours (BAs) (FA1: 10 kg; FA2: 7.8 kg; FA3: 10 kg) in eight male soldiers. The design of the ballistic plates differed between the BAs to improve the flexibility. FVC and FEV1 were reduced by 4-6%, without reduction in FEV1/FVC for ISBA, FA2 and FA3, when compared to NoBA (p armour caused a mild restrictive ventilatory impairment. However, the design of the armour can be modified to reduce the degree of this impairment. This may lead to improvements in soldier performance during tasks that require body armour.
Oliveira, Rayssa Cristiane; Elali, Gleice Azambuja
2012-01-01
This article discusses the quality of internal life space in apartments of residential buildings in the northeast region of Brazil, especially the possibility to adapt environments with small areas (according to local building codes) to the needs of different arrangements of families (considering 4 members per family). The research had a gradual approach and used multimethod strategy: (a) studying the universe of residential buildings whose apartment's inner area is between 50 and 60 m2 and were constructed in Natal-RN between 1998 and 2008, as well as not linked to social housing programs and occupied for more than one year; (b) selecting a building to do a Post Occupation Evaluation (POE), using walkthrough, technical observation and questionnaires; (c) choosing of two housing units to do an ergonomic intervention (based in interviews and detailed measurements). The results show the technical possibility to modify the units, but these modifications have a high (social, economic and environmental) price, because in general the space of units projected is not flexible. So, the paper concludes that this type of enterprise needs to be rethought, since part of them is (social and ecologically) unsustainable.
Recent advances in radial basis function collocation methods
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 ...
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.
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.
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.
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...
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.
Complex basis functions for molecular resonances: Methodology and applications
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.
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)
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.
Functional Flexibility in Women's Commitment-Skepticism Bias
Directory of Open Access Journals (Sweden)
Christina M. Brown
2015-04-01
Full Text Available If a woman overestimates her romantic partner's commitment, the cost to her fitness—reproduction without an investing partner—can be considerable. Error Management Theory predicts that women have an evolved bias to be skeptical of men's commitment in a relationship, which reduces the likelihood of making a costly false positive error. However, because error probabilities are inversely related, this commitment-skepticism bias simultaneously increases the likelihood of missed opportunities, or false negatives. False positives when gauging a partner's commitment are the more costly error for women, but missing an opportunity to secure a genuinely high-quality mate can also be quite costly. We predicted and found that women's mating cognitions are functionally flexible, such that women do not exhibit the commitment-skepticism bias when faced with behavioral evidence that a male partner is willing to commit (Study 1. This suggests that relationship-enhancing behaviors are one contextual cue that may lessen the bias. However, not all relationship-enhancing behaviors are equally diagnostic of a person's true commitment intent. When comparing men and women's commitment thresholds, we found that women require more behavioral evidence than men do to feel certain of their partner's commitment to them (Study 2.
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
The neural basis of human social values: evidence from functional MRI.
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.
GRACE L1b inversion through a self-consistent modified radial basis function approach
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
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.
Yin, Dazhi; Liu, Wenjing; Zeljic, Kristina; Wang, Zhiwei; Lv, Qian; Fan, Mingxia; Cheng, Wenhong; Wang, Zheng
2016-09-28
Extensive evidence suggests that frontoparietal regions can dynamically update their pattern of functional connectivity, supporting cognitive control and adaptive implementation of task demands. However, it is largely unknown whether this flexibly functional reconfiguration is intrinsic and occurs even in the absence of overt tasks. Based on recent advances in dynamics of resting-state functional resonance imaging (fMRI), we propose a probabilistic framework in which dynamic reconfiguration of intrinsic functional connectivity between each brain region and others can be represented as a probability distribution. A complexity measurement (i.e., entropy) was used to quantify functional flexibility, which characterizes heterogeneous connectivity between a particular region and others over time. Following this framework, we identified both functionally flexible and specialized regions over the human life span (112 healthy subjects from 13 to 76 years old). Across brainwide regions, we found regions showing high flexibility mainly in the higher-order association cortex, such as the lateral prefrontal cortex (LPFC), lateral parietal cortex, and lateral temporal lobules. In contrast, visual, auditory, and sensory areas exhibited low flexibility. Furthermore, we observed that flexibility of the right LPFC improved during maturation and reduced due to normal aging, with the opposite occurring for the left lateral parietal cortex. Our findings reveal dissociable changes of frontal and parietal cortices over the life span in terms of inherent functional flexibility. This study not only provides a new framework to quantify the spatiotemporal behavior of spontaneous brain activity, but also sheds light on the organizational principle behind changes in brain function across the human life span. Recent neuroscientific research has demonstrated that the human capability of adaptive task control is primarily the result of the flexible operation of frontal brain networks. However
Flexible power delivery system and its intelligent functions
International Nuclear Information System (INIS)
Glamochanin, Vlastimir; Andonov, Dragan
1996-01-01
This paper presents some of the features and capabilities of the novel energy distribution system called FRIENDS. The main FRIENDS objective is distribution system reliability, with flexible system structure reconfiguration, inclusion of dispersed energy generation systems. Altogether, it represents a new concept of reliable and economic electric power delivery to end users. The FRIENDS project is a challenge for future research and development, including new technology and devices for the implementation of such an integrated system. (author)
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 ...
The dual pathway to creativity model: creative ideation as a function of flexibility and persistence
Nijstad, B.A.; de Dreu, C.K.W.; Rietzschel, E.F.; Baas, M.
2010-01-01
The dual pathway to creativity model argues that creativity—the generation of original and appropriate ideas—is a function of cognitive flexibility and cognitive persistence, and that dispositional or situational variables may influence creativity either through their effects on flexibility, on
Nijstad, B.A.; De Dreu, C.K.W.; Rietzschel, E.F.; Baas, M.
2010-01-01
The dual pathway to creativity model argues that creativity-the generation of original and appropriate ideas-is a function of cognitive flexibility and cognitive persistence, and that dispositional or situational variables may influence creativity either through their effects on flexibility, on
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.)
[Functional characteristics of flexible supporting structures for heart valve bioprosthesis].
Dobrova, N B; Agafonov, A V; Barbarash, L S; Zavalishin, N N; Neniukov, A K
1984-01-01
Hydraulic characteristics of heart valve bioprostheses mounted on supporting structures of various rigidity have been studied under physiologic conditions. An actual mobility of the supporting structures made of different polymers is determined. Static and dynamic components of the support displacements have been shown to develop as the bioprosthesis is under the load, the dynamic component being strongly dependent upon the rigidity of fastening the bioprosthesis on the axis. It is noted that considerable improvements in hydraulic characteristics of bioprostheses are achieved through the use of flexible supporting structures.
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.
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.
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...
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
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.
Kinematic and dynamic simulation of the functioning of torsionally flexible metal coupling
Directory of Open Access Journals (Sweden)
Krzysztof FILIPOWICZ
2010-01-01
Full Text Available The article presents the process of visualization and the accuracy of performance of the prototype of bidirectional torsionally flexible metal coupling using Autodesk® Inventor® Professional 2009. Selected figures from the simulations are presented and discussed on the basis of a virtual model of the coupling.
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
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
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].
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.
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.
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
The Neural Basis of Typewriting: A Functional MRI Study.
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.
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.
Factorization of products of discontinuous functions applied to Fourier-Bessel basis.
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.
Marko, Martin; Riečanský, Igor
2018-05-01
Cognitive flexibility emerges from an interplay of multiple cognitive systems, of which lexical-semantic and executive are thought to be the most important. Yet this has not been addressed by previous studies demonstrating that such forms of flexible thought deteriorate under stress. Motivated by these shortcomings, the present study evaluated several candidate mechanisms implied to mediate the impairing effects of stress on flexible thinking. Fifty-seven healthy adults were randomly assigned to psychosocial stress or control condition while assessed for performance on cognitive flexibility, working memory capacity, semantic fluency, and self-reported cognitive interference. Stress response was indicated by changes in skin conductance, hearth rate, and state anxiety. Our analyses showed that acute stress impaired cognitive flexibility via a concomitant increase in sympathetic arousal, while this mediator was positively associated with semantic fluency. Stress also decreased working memory capacity, which was partially mediated by elevated cognitive interference, but neither of these two measures were associated with cognitive flexibility or sympathetic arousal. Following these findings, we conclude that acute stress impairs cognitive flexibility via sympathetic arousal that modulates lexical-semantic and associative processes. In particular, the results indicate that stress-level of sympathetic activation may restrict the accessibility and integration of remote associates and bias the response competition towards prepotent and dominant ideas. Importantly, our results indicate that stress-induced impairments of cognitive flexibility and executive functions are mediated by distinct neurocognitive mechanisms. Copyright © 2018 Elsevier B.V. All rights reserved.
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
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.
Accurate correlation energies in one-dimensional systems from small system-adapted basis functions
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.
International Nuclear Information System (INIS)
2015-01-01
;net' value of flexibility is defined as the difference between income and costs. Only the direct economic value of flexibility is analysed in this report: the environmental impact and knock-on effect on employment are not taken into consideration. Furthermore, study of the market design of flexibility (contracting method, division of responsibilities, financial equalization, etc.) is not included in the scope of the study. In conclusion, this study shows that flexibility is of value for electricity distribution networks, at least from a theoretical point of view in some of the 'case studies', and in all likelihood also in practice, in certain situations. However, this study does not provide any results on the overall potential of the value of flexibility at national level. Several other studies must be undertaken to determine this potential, as well as to define the regulatory framework and the market design that would promote its use for the national community. Incorporating failure of the flexibility in terms of its design basis, the sharing of responsibility and penalties resulting from failure will be some of the decisive factors in successfully using the flexibility
Multiscale finite element methods for high-contrast problems using local spectral basis functions
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.
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.
Functionally specialised birds respond flexibly to seasonal changes in fruit availability.
Bender, Irene M A; Kissling, W Daniel; Böhning-Gaese, Katrin; Hensen, Isabell; Kühn, Ingolf; Wiegand, Thorsten; Dehling, D Matthias; Schleuning, Matthias
2017-07-01
Interactions between resource and consumer species result in complex ecological networks. The overall structure of these networks is often stable in space and time, but little is known about the temporal stability of the functional roles of consumer species in these networks. We used a trait-based approach to investigate whether consumers (frugivorous birds) show similar degrees of functional specialisation on resources (plants) in ecological networks across seasons. We additionally tested whether closely related bird species have similar degrees of functional specialisation and whether birds that are functionally specialised on specific resource types within a season are flexible in switching to other resource types in other seasons. We analysed four seasonal replicates of two species-rich plant-frugivore networks from the tropical Andes. To quantify fruit preferences of frugivorous birds, we projected their interactions with plants into a multidimensional plant trait space. To measure functional specialisation of birds, we calculated a species' functional niche breadth (the extent of seasonal plant trait space utilised by a particular bird) and functional originality (the extent to which a bird species' fruit preference functionally differs from those of other species in a seasonal network). We additionally calculated functional flexibility, i.e. the ability of bird species to change their fruit preference across seasons in response to variation in plant resources. Functional specialisation of bird species varied more among species than across seasons, and phylogenetically similar bird species showed similar degrees of functional niche breadth (phylogenetic signal λ = 0·81) and functional originality (λ = 0·89). Additionally, we found that birds with high functional flexibility across seasons had narrow functional niche breadth and high functional originality per season, suggesting that birds that are seasonally specialised on particular resources are
CONSTRUCTING A FLEXIBLE LIKELIHOOD FUNCTION FOR SPECTROSCOPIC INFERENCE
International Nuclear Information System (INIS)
Czekala, Ian; Andrews, Sean M.; Mandel, Kaisey S.; Green, Gregory M.; Hogg, David W.
2015-01-01
We present a modular, extensible likelihood framework for spectroscopic inference based on synthetic model spectra. The subtraction of an imperfect model from a continuously sampled spectrum introduces covariance between adjacent datapoints (pixels) into the residual spectrum. For the high signal-to-noise data with large spectral range that is commonly employed in stellar astrophysics, that covariant structure can lead to dramatically underestimated parameter uncertainties (and, in some cases, biases). We construct a likelihood function that accounts for the structure of the covariance matrix, utilizing the machinery of Gaussian process kernels. This framework specifically addresses the common problem of mismatches in model spectral line strengths (with respect to data) due to intrinsic model imperfections (e.g., in the atomic/molecular databases or opacity prescriptions) by developing a novel local covariance kernel formalism that identifies and self-consistently downweights pathological spectral line “outliers.” By fitting many spectra in a hierarchical manner, these local kernels provide a mechanism to learn about and build data-driven corrections to synthetic spectral libraries. An open-source software implementation of this approach is available at http://iancze.github.io/Starfish, including a sophisticated probabilistic scheme for spectral interpolation when using model libraries that are sparsely sampled in the stellar parameters. We demonstrate some salient features of the framework by fitting the high-resolution V-band spectrum of WASP-14, an F5 dwarf with a transiting exoplanet, and the moderate-resolution K-band spectrum of Gliese 51, an M5 field dwarf
Koiwai, Kotaro; Hartmann, Marcus D.; Linke, Dirk; Lupas, Andrei N.; Hori, Katsutoshi
2016-01-01
Trimeric autotransporter adhesins (TAAs) on the cell surface of Gram-negative pathogens mediate bacterial adhesion to host cells and extracellular matrix proteins. However, AtaA, a TAA in the nonpathogenic Acinetobacter sp. strain Tol 5, shows nonspecific high adhesiveness to abiotic material surfaces as well as to biotic surfaces. It consists of a passenger domain secreted by the C-terminal transmembrane anchor domain (TM), and the passenger domain contains an N-terminal head, N-terminal stalk, C-terminal head (Chead), and C-terminal stalk (Cstalk). The Chead-Cstalk-TM fragment, which is conserved in many Acinetobacter TAAs, has by itself the head-stalk-anchor architecture of a complete TAA. Here, we show the crystal structure of the Chead-Cstalk fragment, AtaA_C-terminal passenger domain (CPSD), providing the first view of several conserved TAA domains. The YadA-like head (Ylhead) of the fragment is capped by a unique structure (headCap), composed of three β-hairpins and a connector motif; it also contains a head insert motif (HIM1) before its last inner β-strand. The headCap, Ylhead, and HIM1 integrally form a stable Chead structure. Some of the major domains of the CPSD fragment are inherently flexible and provide bending sites for the fiber between segments whose toughness is ensured by topological chain exchange and hydrophobic core formation inside the trimer. Thus, although adherence assays using in-frame deletion mutants revealed that the characteristic adhesive sites of AtaA reside in its N-terminal part, the flexibility and toughness of the CPSD part provide the resilience that enables the adhesive properties of the full-length fiber across a wide range of conditions. PMID:26698633
International Nuclear Information System (INIS)
Koo, Ja Hoon; Seo, Jungmok; Lee, Taeyoon
2012-01-01
Recent efforts in the semiconductor industry have focused on the realization of electronics with unusual form factors and functions which are not achievable using the current planar Si-based technology. Deposition of high-quality films or nanomaterials on low-temperature elastomeric substrates has been a technical challenge for flexible electronics. However, together with the development of new synthesis routes that enable the formation of robust thin films and nanomaterials on compliant substrates, including the dry transfer printing technique and fabrication of uniform nanogaps/nanowrinkles using the unique stretchable characteristics of elastomeric substrates, flexible electronics has emerged as a promising technology that can enrich our lives in a variety of ways. As examples, potential applications include skin-like smart prostheses, paper-like displays, disposable electronic noses, and hemispherically-shaped electronic eye cameras. Here, we review recent results demonstrating ingenious new functionalities using nanomaterials on flexible substrates, focusing on fabrication techniques, materials, operation mechanisms, and signal outputs.
Energy Technology Data Exchange (ETDEWEB)
Koo, Ja Hoon; Seo, Jungmok; Lee, Taeyoon, E-mail: taeyoon.lee@yonsei.ac.kr
2012-12-01
Recent efforts in the semiconductor industry have focused on the realization of electronics with unusual form factors and functions which are not achievable using the current planar Si-based technology. Deposition of high-quality films or nanomaterials on low-temperature elastomeric substrates has been a technical challenge for flexible electronics. However, together with the development of new synthesis routes that enable the formation of robust thin films and nanomaterials on compliant substrates, including the dry transfer printing technique and fabrication of uniform nanogaps/nanowrinkles using the unique stretchable characteristics of elastomeric substrates, flexible electronics has emerged as a promising technology that can enrich our lives in a variety of ways. As examples, potential applications include skin-like smart prostheses, paper-like displays, disposable electronic noses, and hemispherically-shaped electronic eye cameras. Here, we review recent results demonstrating ingenious new functionalities using nanomaterials on flexible substrates, focusing on fabrication techniques, materials, operation mechanisms, and signal outputs.
A Bayesian spatial model for neuroimaging data based on biologically informed basis functions.
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
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.
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.
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
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.
Chen, I-chun; Ma, Hwong-wen
2013-02-01
Brownfield redevelopment involves numerous uncertain financial risks associated with market demand and land value. To reduce the uncertainty of the specific impact of land value and social costs, this study develops small-scale risk maps to determine the relationship between population risk (PR) and damaged land value (DLV) to facilitate flexible land reutilisation plans. This study used the spatial variability of exposure parameters in each village to develop the contaminated site-specific risk maps. In view of the combination of risk and cost, risk level that most affected land use was mainly 1.00×10(-6) to 1.00×10(-5) in this study area. Village 2 showed the potential for cost-effective conversion with contaminated land development. If the risk of remediation target was set at 5.00×10(-6), the DLV could be reduced by NT$15,005 million for the land developer. The land developer will consider the net benefit by quantifying the trade-off between the changes of land value and the cost of human health. In this study, small-scale risk maps can illuminate the economic incentive potential for contaminated site redevelopment through the adjustment of land value damage and human health risk. Copyright © 2012 Elsevier Ltd. All rights reserved.
Modeling multivariate time series on manifolds with skew radial basis functions.
Jamshidi, Arta A; Kirby, Michael J
2011-01-01
We present an approach for constructing nonlinear empirical mappings from high-dimensional domains to multivariate ranges. We employ radial basis functions and skew radial basis functions for constructing a model using data that are potentially scattered or sparse. The algorithm progresses iteratively, adding a new function at each step to refine the model. The placement of the functions is driven by a statistical hypothesis test that accounts for correlation in the multivariate range variables. The test is applied on training and validation data and reveals nonstatistical or geometric structure when it fails. At each step, the added function is fit to data contained in a spatiotemporally defined local region to determine the parameters--in particular, the scale of the local model. The scale of the function is determined by the zero crossings of the autocorrelation function of the residuals. The model parameters and the number of basis functions are determined automatically from the given data, and there is no need to initialize any ad hoc parameters save for the selection of the skew radial basis functions. Compactly supported skew radial basis functions are employed to improve model accuracy, order, and convergence properties. The extension of the algorithm to higher-dimensional ranges produces reduced-order models by exploiting the existence of correlation in the range variable data. Structure is tested not just in a single time series but between all pairs of time series. We illustrate the new methodologies using several illustrative problems, including modeling data on manifolds and the prediction of chaotic time series.
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
Flexible link functions in nonparametric binary regression with Gaussian process priors.
Li, Dan; Wang, Xia; Lin, Lizhen; Dey, Dipak K
2016-09-01
In many scientific fields, it is a common practice to collect a sequence of 0-1 binary responses from a subject across time, space, or a collection of covariates. Researchers are interested in finding out how the expected binary outcome is related to covariates, and aim at better prediction in the future 0-1 outcomes. Gaussian processes have been widely used to model nonlinear systems; in particular to model the latent structure in a binary regression model allowing nonlinear functional relationship between covariates and the expectation of binary outcomes. A critical issue in modeling binary response data is the appropriate choice of link functions. Commonly adopted link functions such as probit or logit links have fixed skewness and lack the flexibility to allow the data to determine the degree of the skewness. To address this limitation, we propose a flexible binary regression model which combines a generalized extreme value link function with a Gaussian process prior on the latent structure. Bayesian computation is employed in model estimation. Posterior consistency of the resulting posterior distribution is demonstrated. The flexibility and gains of the proposed model are illustrated through detailed simulation studies and two real data examples. Empirical results show that the proposed model outperforms a set of alternative models, which only have either a Gaussian process prior on the latent regression function or a Dirichlet prior on the link function. © 2015, The International Biometric Society.
The deployment of manufacturing flexibility as a function of company strategy
Directory of Open Access Journals (Sweden)
Carla Estorilio
2013-08-01
Full Text Available The flexibility is one of the priorities in manufacturing companies. However, the lack of guidelines for carrying out a critical analysis of the use of resources in manufacturing industry leads to a loss of process performance. This article describes a method to help companies identify the resources needed to provide manufacturing flexibility and meet the demands of their consumers while complying with company strategy. The literature related to flexibility is reviewed and a classification based on four levels is proposed: abilities, dimensions, elements and resources that provide flexibility. Based on this taxonomy and using the principles of QFD (Quality Function Deployment, a method is proposed that shows the correlation between these four levels, starting with customer demand and company strategy. The method was tested in an automobile manufacturing company, showing the applicability of the method. It highlighted the high degree of automation, which’s had serious problems related to restrictions on product mix. It can be inferred that this problem could be minimized by simplifying the tasks involved in the manufacture of car and by hiring more experienced, multi-skilled workers. The proposed method is different from those founded in the literature review because it deploys two levels more of flexibility, considering the QFD structure, and addresses strategic company issues.
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...
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.
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.
Fast generation of macro basis functions for LEGO through the adaptive cross approximation
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
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...
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
New Method for Mesh Moving Based on Radial Basis Function Interpolation
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
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)
A metric for the Radial Basis Function Network - Application on Real Radar Data
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
MR-guided dynamic PET reconstruction with the kernel method and spectral temporal basis functions
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
Power Control Flexibilities for Grid-Connected Multi-Functional Photovoltaic Inverters
DEFF Research Database (Denmark)
Yang, Yongheng; Blaabjerg, Frede; Wang, Huai
2016-01-01
and intelligent services, such as fault ride-through and reactive power compensation, is the key to attain higher utilisation of solar PV energy. Such functionalities for the future PV inverters can contribute to reduced cost of energy, and thus enable more cost-effective PV installations. To implement...... the advanced features, a flexible power controller is developed in this study, which can be configured in the PV inverter and flexibly change from one to another mode during operation. Based on the single-phase PQ theory, the control strategy offers the possibilities to generate appropriate references...... for the inner current control loop. The references depend on system conditions and also specific demands from both system operators and prosumers. Besides, this power control strategy can be implemented in commercial PV inverters as a standardised function, and also the operation modes can be achieved online...
Power control flexibilities for grid-connected multi-functional photovoltaic inverters
DEFF Research Database (Denmark)
Yang, Yongheng; Blaabjerg, Frede; Wang, Huai
2014-01-01
to reduced cost of energy. To implement the advanced features, a flexible power controller is developed in this paper, which can be configured in the PV inverter and flexibly be changed from one to another. This power control strategy is based on the single-phase PQ theory, and it offers the possibilities...... of ancillary and intelligent services, like Low Voltage Ride-Through (LVRT), reactive power compensation, and reliability-oriented thermal management/control by PV systems is a key to attain higher utilization of solar energy. Those essential functionalities for the future PV inverters can contribute...... to generate appropriate references for the inner current control loop. The references depend on the system conditions and also specific demands from both system operators and customers. Besides, this power control strategy can be implemented in a commercial PV inverter as standardized functions, and also...
On the concept of flexibility: A dual control perspective
Leeuw, A. C J; Volberda, Henk
1996-01-01
textabstractOrganizational flexibility has recently received much attention from researchers, management consultants and practitioners. In general, the term 'flexibility' has a positive connotation: flexible organizations are the better ones. However, the meaning of flexibility as well as its relation to the functioning of an organization is still ambiguous. This article develops a systematic and multidimensional picture of flexibility on the basis of views taken from the systems theory of co...
High performance flexible pH sensor based on carboxyl-functionalized and DEP aligned SWNTs
International Nuclear Information System (INIS)
Liu, Lu; Shao, Jinyou; Li, Xiangming; Zhao, Qiang; Nie, Bangbang; Xu, Chuan; Ding, Haitao
2016-01-01
Highlights: • The flexible chemiresistive pH sensor based on two-terminal microsensors eliminating the need for a reference electrode, is simple in structure and can be fabricated on a variety of substrates such as PET, PI and PVC. • SWNTs as an ideal one dimensional material are carboxyl-functionalized to make the pH sensor show high sensitivity and outstanding flexibility for practical applications. • DEP technique is used to manipulate and position SWNTs into appropriate locations and desired formations to improve the metal-nanotube interface and highly rapid detection of pH value, resulting in better overall device performance. • Mechanical bendability of the pH sensor, which arises from the combination of flexible PET substrates and SWNTs, offer a significant improvement for applications that are difficult or impossible to achieve with traditional sensors on rigid substrates. - Abstract: The detection and control of the pH is very important in many biomedical and chemical reaction processes. A miniaturized flexible pH sensor that is light weight, robust, and conformable is very important in many applications, such as multifunctional lab-on-a-chip systems or wearable biomedical devices. In this work, we demonstrate a flexible chemiresistive pH sensor based on dielectrophoresis (DEP) aligned carboxyl-functionalized single-walled carbon nanotubes (SWNTs). Decorated carboxyl groups can react with hydrogen (H"+) and hydroxide (OH"−) ions, enabling the sensor to be capable of sensing the pH. DEP is used to deposit well-organized and highly aligned SWNTs in desired locations, which improves the metal-nanotube interface and highly rapid detection of the pH, resulting in better overall device performance. When pH buffer solutions are dropped onto such SWNTs, the H"+ and OH"− ions caninteract with the carboxyl groups and affect the generation of holes and electrons in the SWNTs, leading to resistance variations in the SWNTs. The results shows that the
High performance flexible pH sensor based on carboxyl-functionalized and DEP aligned SWNTs
Energy Technology Data Exchange (ETDEWEB)
Liu, Lu; Shao, Jinyou, E-mail: jyshao@mail.xjtu.edu.cn; Li, Xiangming; Zhao, Qiang; Nie, Bangbang; Xu, Chuan; Ding, Haitao
2016-11-15
Highlights: • The flexible chemiresistive pH sensor based on two-terminal microsensors eliminating the need for a reference electrode, is simple in structure and can be fabricated on a variety of substrates such as PET, PI and PVC. • SWNTs as an ideal one dimensional material are carboxyl-functionalized to make the pH sensor show high sensitivity and outstanding flexibility for practical applications. • DEP technique is used to manipulate and position SWNTs into appropriate locations and desired formations to improve the metal-nanotube interface and highly rapid detection of pH value, resulting in better overall device performance. • Mechanical bendability of the pH sensor, which arises from the combination of flexible PET substrates and SWNTs, offer a significant improvement for applications that are difficult or impossible to achieve with traditional sensors on rigid substrates. - Abstract: The detection and control of the pH is very important in many biomedical and chemical reaction processes. A miniaturized flexible pH sensor that is light weight, robust, and conformable is very important in many applications, such as multifunctional lab-on-a-chip systems or wearable biomedical devices. In this work, we demonstrate a flexible chemiresistive pH sensor based on dielectrophoresis (DEP) aligned carboxyl-functionalized single-walled carbon nanotubes (SWNTs). Decorated carboxyl groups can react with hydrogen (H{sup +}) and hydroxide (OH{sup −}) ions, enabling the sensor to be capable of sensing the pH. DEP is used to deposit well-organized and highly aligned SWNTs in desired locations, which improves the metal-nanotube interface and highly rapid detection of the pH, resulting in better overall device performance. When pH buffer solutions are dropped onto such SWNTs, the H{sup +} and OH{sup −} ions caninteract with the carboxyl groups and affect the generation of holes and electrons in the SWNTs, leading to resistance variations in the SWNTs. The results
Guo, Jiaqi; Fang, Wenwen; Welle, Alexander; Feng, Wenqian; Filpponen, Ilari; Rojas, Orlando J; Levkin, Pavel A
2016-12-14
Films comprising nanofibrillated cellulose (NFC) are suitable substrates for flexible devices in analytical, sensor, diagnostic, and display technologies. However, some major challenges in such developments include their high moisture sensitivity and the complexity of current methods available for functionalization and patterning. In this work, we present a facile process for tailoring the surface wettability and functionality of NFC films by a fast and versatile approach. First, the NFC films were coated with a layer of reactive nanoporous silicone nanofilament by polycondensation of trichlorovinylsilane (TCVS). The TCVS afforded reactive vinyl groups, thereby enabling simple UV-induced functionalization of NFC films with various thiol-containing molecules via the photo "click" thiol-ene reaction. Modification with perfluoroalkyl thiols resulted in robust superhydrophobic surfaces, which could then be further transformed into transparent slippery lubricant-infused NFC films that displayed repellency against both aqueous and organic liquids with surface tensions as low as 18 mN·m -1 . Finally, transparent and flexible NFC films incorporated hydrophilic micropatterns by modification with OH, NH 2 , or COOH surface groups, enabling space-resolved superhydrophobic-hydrophilic domains. Flexibility, transparency, patternability, and perfect superhydrophobicity of the produced nanocellulose substrates warrants their application in biosensing, display protection, and biomedical and diagnostics devices.
Van der Waals epitaxy of functional MoO{sub 2} film on mica for flexible electronics
Energy Technology Data Exchange (ETDEWEB)
Ma, Chun-Hao [Department of Electrical Engineering, National Tsing Hua University, 30013 Hsinchu, Taiwan (China); Department of Materials Science and Engineering, National Chiao Tung University, Hsinchu 30010, Taiwan (China); Lin, Jheng-Cyuan [Institute of Physics, Academia Sinica, Taipei 11529, Taiwan (China); Liu, Heng-Jui; Do, Thi Hien [Department of Materials Science and Engineering, National Chiao Tung University, Hsinchu 30010, Taiwan (China); Zhu, Yuan-Min; Zhan, Qian [School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Ha, Thai Duy; Juang, Jenh-Yih [Department of Electrophysics, National Chiao Tung University, Hsinchu 30010, Taiwan (China); He, Qing [Department of Physics, Durham University, Durham DH1 3LE (United Kingdom); Arenholz, Elke [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Chiu, Po-Wen, E-mail: pwchiu@ee.nthu.edu.tw [Department of Electrical Engineering, National Tsing Hua University, 30013 Hsinchu, Taiwan (China); Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 10617, Taiwan (China); Chu, Ying-Hao, E-mail: yhc@nctu.edu.tw [Department of Materials Science and Engineering, National Chiao Tung University, Hsinchu 30010, Taiwan (China); Institute of Physics, Academia Sinica, Taipei 11529, Taiwan (China); Department of Electrophysics, National Chiao Tung University, Hsinchu 30010, Taiwan (China)
2016-06-20
Flexible electronics have a great potential to impact consumer electronics and with that our daily life. Currently, no direct growth of epitaxial functional oxides on commercially available flexible substrates is possible. In this study, in order to address this challenge, muscovite, a common layered oxide, is used as a flexible substrate that is chemically similar to typical functional oxides. We fabricated epitaxial MoO{sub 2} films on muscovite via pulsed laser deposition technique. A combination of X-ray diffraction and transmission electron microscopy confirms van der Waals epitaxy of the heterostructures. The electrical transport properties of MoO{sub 2} films are similar to those of the bulk. Flexible or free-standing MoO{sub 2} thin film can be obtained and serve as a template to integrate additional functional oxide layers. Our study demonstrates a remarkable concept to create flexible electronics based on functional oxides.
Lee, Paul U.; Bender, Kim; Pagan, Danielle
2011-01-01
Flexible Airspace Management (FAM) is a mid- term Next Generation Air Transportation System (NextGen) concept that allows dynamic changes to airspace configurations to meet the changes in the traffic demand. A series of human-in-the-loop (HITL) studies have identified procedures and decision support requirements needed to implement FAM. This paper outlines a suggested FAM procedure and associated decision support functionality based on these HITL studies. A description of both the tools used to support the HITLs and the planned NextGen technologies available in the mid-term are presented and compared. The mid-term implementation of several NextGen capabilities, specifically, upgrades to the Traffic Management Unit (TMU), the initial release of an en route automation system, the deployment of a digital data communication system, a more flexible voice communications network, and the introduction of a tool envisioned to manage and coordinate networked ground systems can support the implementation of the FAM concept. Because of the variability in the overall deployment schedule of the mid-term NextGen capabilities, the dependency of the individual NextGen capabilities are examined to determine their impact on a mid-term implementation of FAM. A cursory review of the different technologies suggests that new functionality slated for the new en route automation system is a critical enabling technology for FAM, as well as the functionality to manage and coordinate networked ground systems. Upgrades to the TMU are less critical but important nonetheless for FAM to be fully realized. Flexible voice communications network and digital data communication system could allow more flexible FAM operations but they are not as essential.
A conceptual basis to encode and detect organic functional groups in XML.
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.
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.
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.
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)
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.
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....
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.
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)
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.
Energy Technology Data Exchange (ETDEWEB)
Santangelo, Saveria, E-mail: saveria.santangelo@unirc.it [Dipartimento di Ingegneria Civile, dell’Energia, dell’Ambiente e dei Materiali (DICEAM), Università “Mediterranea”, 89122 Reggio Calabria (Italy); Piperopoulos, Elpida [Dipartimento di Ingegneria Eletronica, Chimica ed Ingegneria Industriale (DIECII), Università di Messina, 98166 Messina (Italy); Fazio, Enza [Dipartimento di Fisica e di Scienze della Terra (DFST), Università di Messina, 98166 Messina (Italy); Faggio, Giuliana [Dipartimento di Ingegneria dell’Informazione, delle Infrastrutture e dell’Energia Sostenibile (DIIES), Università “Mediterranea”, 89122 Reggio Calabria (Italy); Ansari, Shabana [Dipartimento di Ingegneria Eletronica, Chimica ed Ingegneria Industriale (DIECII), Università di Messina, 98166 Messina (Italy); Lanza, Maurizio [Istituto per i Processi Chimico Fisici (IPCF) del CNR, 98158 Messina (Italy); Neri, Fortunato [Dipartimento di Fisica e di Scienze della Terra (DFST), Università di Messina, 98166 Messina (Italy); Messina, Giacomo [Dipartimento di Ingegneria dell’Informazione, delle Infrastrutture e dell’Energia Sostenibile (DIIES), Università “Mediterranea”, 89122 Reggio Calabria (Italy); Milone, Candida [Dipartimento di Ingegneria Eletronica, Chimica ed Ingegneria Industriale (DIECII), Università di Messina, 98166 Messina (Italy)
2014-06-01
The functionalization by nitric acid vapors at azeotropic concentration has been recently proposed to eliminate drawbacks of the widely utilized liquid phase functionalization method. This work suggests to exploit the so-called “salt effect” to improve the vapor phase oxidation method in terms of safety and flexibility. Increasing the relative volatility of acid, the addition of Mg(NO{sub 3}){sub 2} salt to the HNO{sub 3} + H{sub 2}O solution allows (i) obtaining vapors with HNO{sub 3} at the azeotropic concentration from a more diluted liquid solution (i.e. operating under safer conditions), and (ii) varying the concentration of HNO{sub 3} in the vapor phase even above the azeotropic concentration limit (with improved process flexibility). High-resolution transmission electron microscopy, thermo-gravimetry, Raman spectroscopy and X-ray photoemission spectroscopy systematic analyses are carried out on pristine and oxidized nanotubes in order to assess their functionalization degree, surface chemistry and structural evolution. The most relevant finding of this preliminary study is that the nanotube functionalization extent increases linearly with the HNO{sub 3} vapor concentration.
International Nuclear Information System (INIS)
Santangelo, Saveria; Piperopoulos, Elpida; Fazio, Enza; Faggio, Giuliana; Ansari, Shabana; Lanza, Maurizio; Neri, Fortunato; Messina, Giacomo; Milone, Candida
2014-01-01
The functionalization by nitric acid vapors at azeotropic concentration has been recently proposed to eliminate drawbacks of the widely utilized liquid phase functionalization method. This work suggests to exploit the so-called “salt effect” to improve the vapor phase oxidation method in terms of safety and flexibility. Increasing the relative volatility of acid, the addition of Mg(NO 3 ) 2 salt to the HNO 3 + H 2 O solution allows (i) obtaining vapors with HNO 3 at the azeotropic concentration from a more diluted liquid solution (i.e. operating under safer conditions), and (ii) varying the concentration of HNO 3 in the vapor phase even above the azeotropic concentration limit (with improved process flexibility). High-resolution transmission electron microscopy, thermo-gravimetry, Raman spectroscopy and X-ray photoemission spectroscopy systematic analyses are carried out on pristine and oxidized nanotubes in order to assess their functionalization degree, surface chemistry and structural evolution. The most relevant finding of this preliminary study is that the nanotube functionalization extent increases linearly with the HNO 3 vapor concentration.
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.
Saupe, Florian; Knoblach, Andreas
2015-02-01
Two different approaches for the determination of frequency response functions (FRFs) are used for the non-parametric closed loop identification of a flexible joint industrial manipulator with serial kinematics. The two applied experiment designs are based on low power multisine and high power chirp excitations. The main challenge is to eliminate disturbances of the FRF estimates caused by the numerous nonlinearities of the robot. For the experiment design based on chirp excitations, a simple iterative procedure is proposed which allows exploiting the good crest factor of chirp signals in a closed loop setup. An interesting synergy of the two approaches, beyond validation purposes, is pointed out.
Lizunov, A Y; Gonchar, A L; Zaitseva, N I; Zosimov, V V
2015-10-26
We analyzed the frequency with which intraligand contacts occurred in a set of 1300 protein-ligand complexes [ Plewczynski et al. J. Comput. Chem. 2011 , 32 , 742 - 755 .]. Our analysis showed that flexible ligands often form intraligand hydrophobic contacts, while intraligand hydrogen bonds are rare. The test set was also thoroughly investigated and classified. We suggest a universal method for enhancement of a scoring function based on a potential of mean force (PMF-based score) by adding a term accounting for intraligand interactions. The method was implemented via in-house developed program, utilizing an Algo_score scoring function [ Ramensky et al. Proteins: Struct., Funct., Genet. 2007 , 69 , 349 - 357 .] based on the Tarasov-Muryshev PMF [ Muryshev et al. J. Comput.-Aided Mol. Des. 2003 , 17 , 597 - 605 .]. The enhancement of the scoring function was shown to significantly improve the docking and scoring quality for flexible ligands in the test set of 1300 protein-ligand complexes [ Plewczynski et al. J. Comput. Chem. 2011 , 32 , 742 - 755 .]. We then investigated the correlation of the docking results with two parameters of intraligand interactions estimation. These parameters are the weight of intraligand interactions and the minimum number of bonds between the ligand atoms required to take their interaction into account.
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.
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.
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.
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.
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.
A flexible model for the mean and variance functions, with application to medical cost data.
Chen, Jinsong; Liu, Lei; Zhang, Daowen; Shih, Ya-Chen T
2013-10-30
Medical cost data are often skewed to the right and heteroscedastic, having a nonlinear relation with covariates. To tackle these issues, we consider an extension to generalized linear models by assuming nonlinear associations of covariates in the mean function and allowing the variance to be an unknown but smooth function of the mean. We make no further assumption on the distributional form. The unknown functions are described by penalized splines, and the estimation is carried out using nonparametric quasi-likelihood. Simulation studies show the flexibility and advantages of our approach. We apply the model to the annual medical costs of heart failure patients in the clinical data repository at the University of Virginia Hospital System. Copyright © 2013 John Wiley & Sons, Ltd.
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
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.
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)
Demonstration of flexible multicasting and aggregation functionality for TWDM-PON
Chen, Yuanxiang; Li, Juhao; Zhu, Paikun; Zhu, Jinglong; Tian, Yu; Wu, Zhongying; Peng, Huangfa; Xu, Yongchi; Chen, Jingbiao; He, Yongqi; Chen, Zhangyuan
2017-06-01
The time- and wavelength-division multiplexed passive optical network (TWDM-PON) has been recognized as an attractive solution to provide broadband access for the next-generation networks. In this paper, we propose flexible service multicasting and aggregation functionality for TWDM-PON utilizing multiple-pump four-wave-mixing (FWM) and cyclic arrayed waveguide grating (AWG). With the proposed scheme, multiple TWDM-PON links share a single optical line terminal (OLT), which can greatly reduce the network deployment expense and achieve efficient network resource utilization by load balancing among different optical distribution networks (ODNs). The proposed scheme is compatible with existing TDM-PON infrastructure with fixed-wavelength OLT transmitter, thus smooth service upgrade can be achieved. Utilizing the proposed scheme, we demonstrate a proof-of-concept experiment with 10-Gb/s OOK and 10-Gb/s QPSK orthogonal frequency division multiplexing (OFDM) signal multicasting and aggregating to seven PON links. Compared with back-to-back (BTB) channel, the newly generated multicasting OOK signal and OFDM signal have power penalty of 1.6 dB and 2 dB at the BER of 10-3, respectively. For the aggregation of multiple channels, no obvious power penalty is observed. What is more, to verify the flexibility of the proposed scheme, we reconfigure the wavelength selective switch (WSS) and adjust the number of pumps to realize flexible multicasting functionality. One to three, one to seven, one to thirteen and one to twenty-one multicasting are achieved without modifying OLT structure.
Kwon, Jeong Hyun; Choi, Seungyeop; Jeon, Yongmin; Kim, Hyuncheol; Chang, Ki Soo; Choi, Kyung Cheol
2017-08-16
In this study, a new and efficient dielectric-metal-dielectric-based thin-film encapsulation (DMD-TFE) with an inserted Ag thin film is proposed to guarantee the reliability of flexible displays by improving the barrier properties, mechanical flexibility, and heat dissipation, which are considered to be essential requirements for organic light-emitting diode (OLED) encapsulation. The DMD-TFE, which is composed of Al 2 O 3 , Ag, and a silica nanoparticle-embedded sol-gel hybrid nanocomposite, shows a water vapor transmission rate of 8.70 × 10 -6 g/m 2 /day and good mechanical reliability at a bending radius of 30 mm, corresponding to 0.41% strain for 1000 bending cycles. The electrical performance of a thin-film encapsulated phosphorescent organic light-emitting diode (PHOLED) was identical to that of a glass-lid encapsulated PHOLED. The operational lifetimes of the thin-film encapsulated and glass-lid encapsulated PHOLEDs are 832 and 754 h, respectively. After 80 days, the thin-film encapsulated PHOLED did not show performance degradation or dark spots on the cell image in a shelf-lifetime test. Finally, the difference in lifetime of the OLED devices in relation to the presence and thickness of a Ag film was analyzed by applying various TFE structures to fluorescent organic light-emitting diodes (FOLEDs) that could generate high amounts of heat. To demonstrate the difference in heat dissipation effect among the TFE structures, the saturated temperatures of the encapsulated FOLEDs were measured from the back side surface of the glass substrate, and were found to be 67.78, 65.12, 60.44, and 39.67 °C after all encapsulated FOLEDs were operated at an initial luminance of 10 000 cd/m 2 for sufficient heat generation. Furthermore, the operational lifetime tests of the encapsulated FOLED devices showed results that were consistent with the measurements of real-time temperature profiles taken with an infrared camera. A multifunctional hybrid thin-film encapsulation
Neural Basis of Enhanced Executive Function in Older Video Game Players: An fMRI Study.
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.
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.
Computing single step operators of logic programming in radial basis function neural networks
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.
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.
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.
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
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...
Radial basis function neural networks with sequential learning MRAN and its applications
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
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...
Design and Modeling of RF Power Amplifiers with Radial Basis Function Artificial Neural Networks
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...
KARHUNEN-LOÈVE Basis Functions of Kolmogorov Turbulence in the Sphere
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.
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
Efficient and Flexible Computation of Many-Electron Wave Function Overlaps.
Plasser, Felix; Ruckenbauer, Matthias; Mai, Sebastian; Oppel, Markus; Marquetand, Philipp; González, Leticia
2016-03-08
A new algorithm for the computation of the overlap between many-electron wave functions is described. This algorithm allows for the extensive use of recurring intermediates and thus provides high computational efficiency. Because of the general formalism employed, overlaps can be computed for varying wave function types, molecular orbitals, basis sets, and molecular geometries. This paves the way for efficiently computing nonadiabatic interaction terms for dynamics simulations. In addition, other application areas can be envisaged, such as the comparison of wave functions constructed at different levels of theory. Aside from explaining the algorithm and evaluating the performance, a detailed analysis of the numerical stability of wave function overlaps is carried out, and strategies for overcoming potential severe pitfalls due to displaced atoms and truncated wave functions are presented.
Machine learning (ML)-guided OPC using basis functions of polar Fourier transform
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.
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.
Cellular and molecular basis of chronic constipation: taking the functional/idiopathic label out.
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.
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.
Directory of Open Access Journals (Sweden)
Mikhail eVotinov
2015-07-01
Full Text Available Whether the opioid system plays a role in the ability to flexibly adapt behavior is still unclear. We used fMRI to investigate the effect of a nucleotide tandem repeat (68-bp VNTR functional polymorphism of the prodynorphin gene on cerebral activation during a reversal learning task in which participants had to flexibly adapt stimulus-response associations. Past studies suggested that alleles with 3 or 4 repeats (HH genotype of this polymorphism are associated with higher levels of dynorphin peptides than alleles with 1 or 2 repeats (LL genotype. On the behavioral level, the HH group made more perseverative errors than the LL group. On the neural level, the HH group demonstrated less engagement of left orbitofrontal cortex (lOFC and cortico-striatal circuitry, and lower effective connectivity of lOFC with anterior midcingulate cortex and anterior insula/ventrolateral prefrontal cortex during reversal learning and processing negative feedback. This points to a lower ability of the HH genotype to monitor or adapt to changes in reward contingencies. These findings provide first evidence that dynorphins may contribute to individual differences in reversal learning, and that considering the opioid system may shed new light on the neurochemical correlates of decision-making and behavioral regulation.
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...
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
Functional Basis for Efficient Physical Layer Classical Control in Quantum Processors
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.
Reiter, Andrea M F; Heinze, Hans-Jochen; Schlagenhauf, Florian; Deserno, Lorenz
2017-02-01
Despite its clinical relevance and the recent recognition as a diagnostic category in the DSM-5, binge eating disorder (BED) has rarely been investigated from a cognitive neuroscientific perspective targeting a more precise neurocognitive profiling of the disorder. BED patients suffer from a lack of behavioral control during recurrent binge eating episodes and thus fail to adapt their behavior in the face of negative consequences, eg, high risk for obesity. To examine impairments in flexible reward-based decision-making, we exposed BED patients (n=22) and matched healthy individuals (n=22) to a reward-guided decision-making task during functional resonance imaging (fMRI). Performing fMRI analysis informed via computational modeling of choice behavior, we were able to identify specific signatures of altered decision-making in BED. On the behavioral level, we observed impaired behavioral adaptation in BED, which was due to enhanced switching behavior, a putative deficit in striking a balance between exploration and exploitation appropriately. This was accompanied by diminished activation related to exploratory decisions in the anterior insula/ventro-lateral prefrontal cortex. Moreover, although so-called model-free reward prediction errors remained intact, representation of ventro-medial prefrontal learning signatures, incorporating inference on unchosen options, was reduced in BED, which was associated with successful decision-making in the task. On the basis of a computational psychiatry account, the presented findings contribute to defining a neurocognitive phenotype of BED.
Plesco, Irina; Dragoman, Mircea; Strobel, Julian; Ghimpu, Lidia; Schütt, Fabian; Dinescu, Adrian; Ursaki, Veaceslav; Kienle, Lorenz; Adelung, Rainer; Tiginyanu, Ion
2018-05-01
In this paper, we report on functionalization of graphene aerogel with a CdS thin film deposited by magnetron sputtering and on the development of flexible pressure sensors based on ultra-lightweight CdS-aerogel nanocomposite. Analysis by scanning electron microscopy, transmission electron microscopy and energy dispersive X-ray analysis disclose the uniform deposition of nanocrystalline CdS films with quasi-stoichiometric composition. The piezoresistive response of the aforementioned nanocomposite in the pressure range from 1 to 5 atm is found to be more than one order of magnitude higher than that inherent to suspended graphene membranes, leading to an average sensitivity as high as 3.2 × 10-4 kPa-1.
Lee, Wendy S C; Carlson, Stephanie M
2015-01-01
Failure to delay gratification may not indicate poor control or irrationality, but might be an adaptive response. Two studies investigated 3.5- and 4.5-year-old children's ability to adapt their delay and saving behavior when their preference (e.g., to delay or not delay) became nonadaptive. In Study 1 (N = 140), children's delay preference was associated with a risk of losing rewards. In Study 2 (N = 142), children's saving preference was associated with an inability to play an attractive game. Whereas baseline delaying and saving preferences were unrelated to a standardized executive function measure, children who switched to their nonpreferred choice scored higher, suggesting flexibility of decision-making may be a more meaningful dependent variable than baseline performance in developmental research on self-control. © 2015 The Authors. Child Development © 2015 Society for Research in Child Development, Inc.
Application of the active flexible fixture with passive RCC function to peg-in-hole task
International Nuclear Information System (INIS)
Yamaguchi, Tomomi; Higuchi, Masahiro
2005-01-01
This paper describes the application of the active flexible fixture (AFLEF) with passive RCC to the peg-in-hole task on the disk in the X-band accelerator. The AFLEF can fix any work and position the fixed work at short range. In this paper, the 2-dimensional AFLEF is proposed as the simplified type and is provided with passive RCC function to be equipped with dexterity for a peg-in-hole task. As results of the experiment on the peg-in-hole task on the X-band accelerator disks with the AFLEF, we make the ability of the AFLEF for the task clear and also the boundary conditions to the complete task clear. (author)
Natural flexible dermal armor.
Yang, Wen; Chen, Irene H; Gludovatz, Bernd; Zimmermann, Elizabeth A; Ritchie, Robert O; Meyers, Marc A
2013-01-04
Fish, reptiles, and mammals can possess flexible dermal armor for protection. Here we seek to find the means by which Nature derives its protection by examining the scales from several fish (Atractosteus spatula, Arapaima gigas, Polypterus senegalus, Morone saxatilis, Cyprinius carpio), and osteoderms from armadillos, alligators, and leatherback turtles. Dermal armor has clearly been developed by convergent evolution in these different species. In general, it has a hierarchical structure with collagen fibers joining more rigid units (scales or osteoderms), thereby increasing flexibility without significantly sacrificing strength, in contrast to rigid monolithic mineral composites. These dermal structures are also multifunctional, with hydrodynamic drag (in fish), coloration for camouflage or intraspecies recognition, temperature and fluid regulation being other important functions. The understanding of such flexible dermal armor is important as it may provide a basis for new synthetic, yet bioinspired, armor materials. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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.
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.
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.
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.
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.
Big geo data surface approximation using radial basis functions: A comparative study
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.
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.
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.
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.
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)
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.
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.
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.
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.
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.
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.
Zheng, B.; Wang, L. L.; Du, L.; Pan, Y.; Lai, Zhiping; Huang, Kuo-Wei; Du, H. L.
2016-01-01
Understanding guest diffusion in nanoporous host-guest systems is crucial in the efficient design of metal-organic frameworks (MOFs) for chemical separation and drug delivery applications. In this work, we investigated the effect of molecule length on the diffusion rate in the zeolitic imidazolate framework 8 (ZIF-8), trying to find a simple and straightforward variable to characterize the complicated guest diffusion. We found that, counter-intuitively, long guest molecules can diffuse as quickly as short molecules; the diffusion coefficient of ethyl acetate for example is of the same order of magnitude as ethane and ethanol, as excludes the existence of a simple relationship between molecule length and diffusion rate. This phenomenon is explained by a study of the contributions of intra- and inter-cage movement to overall transport. Steric confinement limits the degrees of freedom of long guest molecules, shortening their residence time and increasing the efficiency of radial diffusion. In contrast, shorter molecules meander within MOF cages, reducing transport. Furthermore, the energy barrier of inter-cage transport also does not exhibit a simple dependence on a guest molecule length, attributing to the effect of the type of functional group on diffusion. Guests over varying lengths were investigated by using theoretical methods, revealing that the guest diffusion in ZIF-8 depends on the number of contiguous carbon atoms in a molecule, rather than its overall length. Thus, we proposed simple criteria to predict arbitrary guest molecule diffusivity in ZIF-8 without time-consuming experimentation. © 2016 The Royal Society of Chemistry.
Zheng, B.
2016-05-11
Understanding guest diffusion in nanoporous host-guest systems is crucial in the efficient design of metal-organic frameworks (MOFs) for chemical separation and drug delivery applications. In this work, we investigated the effect of molecule length on the diffusion rate in the zeolitic imidazolate framework 8 (ZIF-8), trying to find a simple and straightforward variable to characterize the complicated guest diffusion. We found that, counter-intuitively, long guest molecules can diffuse as quickly as short molecules; the diffusion coefficient of ethyl acetate for example is of the same order of magnitude as ethane and ethanol, as excludes the existence of a simple relationship between molecule length and diffusion rate. This phenomenon is explained by a study of the contributions of intra- and inter-cage movement to overall transport. Steric confinement limits the degrees of freedom of long guest molecules, shortening their residence time and increasing the efficiency of radial diffusion. In contrast, shorter molecules meander within MOF cages, reducing transport. Furthermore, the energy barrier of inter-cage transport also does not exhibit a simple dependence on a guest molecule length, attributing to the effect of the type of functional group on diffusion. Guests over varying lengths were investigated by using theoretical methods, revealing that the guest diffusion in ZIF-8 depends on the number of contiguous carbon atoms in a molecule, rather than its overall length. Thus, we proposed simple criteria to predict arbitrary guest molecule diffusivity in ZIF-8 without time-consuming experimentation. © 2016 The Royal Society of Chemistry.
Polarization functions for the modified m6-31G basis sets for atoms Ga through Kr.
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.
Directory of Open Access Journals (Sweden)
Maria Joana de Carvalho
2007-09-01
Full Text Available Multi-joint flexibility assessment seems to be more appropriate for analyzing the association between fl exibility and functional fitness, but there is a lack of studies to confi rm this possibility in elderly people. The present study investigated the relationship between a multiple joint fl exibility assessment and the functional performance of 30 independent and physically active elderly women (age=68±1yr. Flexibility was assessed using the Chair Sit-and-Reach Test (CSRT. Functional performance was tested by a combination of three tasks: a Step Length (SL; b Time to Put on Sneakers (TPS; c Climbing Stairs (CS. The association between fl exibility and functional performance was tested by both simple and multiple correlation techniques. Pearson’s correlation was signifi cant for TPS (r = -.37; p ABSTRACT
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.
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...
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
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.
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.
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
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.
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
Caicedo, Hector M.; Dempere, Luisa A.; Vermerris, Wilfred
2012-03-01
Limitations of cylindrical carbon nanotubes based on the buckminsterfullerene structure as delivery vehicles for therapeutic agents include their chemical inertness, sharp edges and toxicological concerns. As an alternative, we have developed lignin-based nanotubes synthesized in a sacrificial template of commercially available alumina membranes. Lignin is a complex phenolic plant cell wall polymer that is generated as a waste product from paper mills and biorefineries that process lignocellulosic biomass into fuels and chemicals. We covalently linked isolated lignin to the inner walls of activated alumina membranes and then added layers of dehydrogenation polymer onto this base layer via a peroxidase-catalyzed reaction. By using phenolic monomers displaying different reactivities, we were able to change the thickness of the polymer layer deposited within the pores, resulting in the synthesis of nanotubes with a wall thickness of approximately 15 nm or nanowires with a nominal diameter of 200 nm. These novel nanotubes are flexible and can be bio-functionalized easily and specifically, as shown by in vitro assays with biotin and Concanavalin A. Together with their intrinsic optical properties, which can also be varied as a function of their chemical composition, these lignin-based nanotubes are expected to enable a variety of new applications including as delivery systems that can be easily localized and imaged after uptake by living cells.
International Nuclear Information System (INIS)
Caicedo, Hector M; Vermerris, Wilfred; Dempere, Luisa A
2012-01-01
Limitations of cylindrical carbon nanotubes based on the buckminsterfullerene structure as delivery vehicles for therapeutic agents include their chemical inertness, sharp edges and toxicological concerns. As an alternative, we have developed lignin-based nanotubes synthesized in a sacrificial template of commercially available alumina membranes. Lignin is a complex phenolic plant cell wall polymer that is generated as a waste product from paper mills and biorefineries that process lignocellulosic biomass into fuels and chemicals. We covalently linked isolated lignin to the inner walls of activated alumina membranes and then added layers of dehydrogenation polymer onto this base layer via a peroxidase-catalyzed reaction. By using phenolic monomers displaying different reactivities, we were able to change the thickness of the polymer layer deposited within the pores, resulting in the synthesis of nanotubes with a wall thickness of approximately 15 nm or nanowires with a nominal diameter of 200 nm. These novel nanotubes are flexible and can be bio-functionalized easily and specifically, as shown by in vitro assays with biotin and Concanavalin A. Together with their intrinsic optical properties, which can also be varied as a function of their chemical composition, these lignin-based nanotubes are expected to enable a variety of new applications including as delivery systems that can be easily localized and imaged after uptake by living cells. (paper)
Principle of topography-directed inkjet printing for functional micro-tracks in flexible substrates
Keum, Chang-Min; Lee, In-Ho; Park, Hea-Lim; Kim, Chiwoo; Lüssem, Björn; Choi, Jong Sun; Lee, Sin-Doo
2017-06-01
We present a general principle of topography-directed (TD) inkjet printing for functional micro-tracks embedded in a flexible elastomer substrate. The essential features of the TD inkjet printing in a micro-structured substrate with periodic grooves and ridges are described in terms of the topographic parameters for the transformation from a single droplet to a filament or an edge-disjoint pattern of ink in the groove. Silver ink, being widely used for producing conductive wires by conventional inkjet printing, is utilized as a testbed in our study. The underlying mechanisms for the spreading and drying processes of ink drops under the topographic compartment can be understood in a two-dimensional parameter space of the aspect ratio of the groove and the contact angle of ink on the substrate. The wetting morphologies of ink droplets are described in an analytical model where the Laplace pressure and the mean curvature at the vapor/ink interface are taken into account. The first principle of the TD inkjet printing would be applicable for constructing a variety of functional micro-tracks with high pattern fidelity from different classes of solutions such as conducting polymers, organic semiconductors, and colloidal nanoparticles.
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
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
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.
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.
Gaussian Radial Basis Function for Efficient Computation of Forest Indirect Illumination
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.
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.
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
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.
Cost-Sensitive Radial Basis Function Neural Network Classifier for Software Defect Prediction.
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.
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.
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.
Bock, Allison M.; Gallaway, Kristin C.; Hund, Alycia M.
2015-01-01
The purpose of this study was to specify the development of and links between executive functioning and theory of mind during middle childhood. One hundred four 7- to 12-year-old children completed a battery of age-appropriate tasks measuring working memory, inhibition, flexibility, theory of mind, and vocabulary. As expected, spatial working…
Zhou, BingPu; Xu, Wei; Syed, Ahad; Chau, Yeungyeung; Chen, Longqing; Chew, Basil; Yassine, Omar; Wu, Xiaoxiao; Gao, Yibo; Zhang, Jingxian; Xiao, Xiao; Kosel, Jü rgen; Zhang, Xixiang; Yao, Zhaohui; Wen, Weijia
2015-01-01
Magnetically functionalized PDMS-based micropillar arrays have been successfully designed, fabricated and implanted for controllable microfluidic mixing. The arrangement of PDMS micropillar arrays inside the microchannel can be flexibly controlled by an external magnetic field. As a consequence, the flow fields inside the microchannel can be regulated at will via magnetic activation conveniently. When a microchannel is implanted with such micropillar arrays, two microstreams can be mixed easily and controllably upon the simple application of an on/off magnetic signal. Mixing efficiencies based on micropillar arrays with different densities were investigated and compared. It was found that micropillar arrays with higher density (i.e. smaller pillar pitch) would render better mixing performance. Our microfluidic system is capable of generating highly reproducible results within many cycles of mixing/non-mixing conversion. We believe that the simple mixing-triggering method together with rapid and controllable mixing control will be extraordinarily valuable for various biological or chemical applications in the future. This journal is © The Royal Society of Chemistry 2015.
Zhou, BingPu
2015-03-25
Magnetically functionalized PDMS-based micropillar arrays have been successfully designed, fabricated and implanted for controllable microfluidic mixing. The arrangement of PDMS micropillar arrays inside the microchannel can be flexibly controlled by an external magnetic field. As a consequence, the flow fields inside the microchannel can be regulated at will via magnetic activation conveniently. When a microchannel is implanted with such micropillar arrays, two microstreams can be mixed easily and controllably upon the simple application of an on/off magnetic signal. Mixing efficiencies based on micropillar arrays with different densities were investigated and compared. It was found that micropillar arrays with higher density (i.e. smaller pillar pitch) would render better mixing performance. Our microfluidic system is capable of generating highly reproducible results within many cycles of mixing/non-mixing conversion. We believe that the simple mixing-triggering method together with rapid and controllable mixing control will be extraordinarily valuable for various biological or chemical applications in the future. This journal is © The Royal Society of Chemistry 2015.
Zuiker, Steven; Reid Whitaker, J.
2014-04-01
This paper describes the 5E+I/A inquiry model and reports a case study of one curricular enactment by a US fifth-grade classroom. A literature review establishes the model's conceptual adequacy with respect to longstanding research related to both the 5E inquiry model and multiple, incremental innovations of it. As a collective line of research, the review highlights a common emphasis on formative assessment, at times coupled either with differentiated instruction strategies or with activities that target the generalization of learning. The 5E+I/A model contributes a multi-level assessment strategy that balances formative and summative functions of multiple forms of assessment in order to support classroom participation while still attending to individual achievement. The case report documents the enactment of a weeklong 5E+I/A curricular design as a preliminary account of the model's empirical adequacy. A descriptive and analytical narrative illustrates variable ways that multi-level assessment makes student thinking visible and pedagogical decision-making more powerful. In light of both, it also documents productive adaptations to a flexible curricular design and considers future research to advance this collective line of inquiry.
Williams III, D. S. Blaise; Welch, Lee M.
2015-01-01
ABSTRACT Background: Injuries to runners are common. However, there are many potential contributing factors to injury. While lack of flexibility alone is commonly related to injury, there are clear differences in hamstring flexibility between males and females. Objective: To compare the effect of static hamstring length on sagittal plane mechanics between male and female runners. Method: Forty subjects (30.0±6.4 years) participated and were placed in one of 4 groups: flexible males (n=10), inflexible males (n=10), flexible females (n=10), and inflexible females (n=10). All subjects were free of injury at the time of data collection. Three-dimensional kinematics and kinetics were collected while subjects ran over ground across 2 force platforms. Sagittal plane joint angles and moments were calculated at the knee and hip and compared with a 2-way (sex X flexibility) ANOVA (α=0.05). Results: Males exhibited greater peak knee extension moment than females (M=2.80±0.47, F=2.48±0.52 Nm/kg*m, p=0.05) and inflexible runners exhibited greater peak knee extension moment than flexible runners (In=2.83±0.56, Fl=2.44±0.51 Nm/kg*m, p=0.01). For hip flexion at initial contact, a significant interaction existed (pHamstring flexibility results in different mechanical profiles in males and females. Flexibility in the hamstrings may result in decreased moments via active or passive tension. These differences may have implications for performance and injury in flexible female runners. PMID:26537812
Williams, D S Blaise; Welch, Lee M
2015-01-01
Injuries to runners are common. However, there are many potential contributing factors to injury. While lack of flexibility alone is commonly related to injury, there are clear differences in hamstring flexibility between males and females. To compare the effect of static hamstring length on sagittal plane mechanics between male and female runners. Forty subjects (30.0±6.4 years) participated and were placed in one of 4 groups: flexible males (n=10), inflexible males (n=10), flexible females (n=10), and inflexible females (n=10). All subjects were free of injury at the time of data collection. Three-dimensional kinematics and kinetics were collected while subjects ran over ground across 2 force platforms. Sagittal plane joint angles and moments were calculated at the knee and hip and compared with a 2-way (sex X flexibility) ANOVA (α=0.05). Males exhibited greater peak knee extension moment than females (M=2.80±0.47, F=2.48±0.52 Nm/kg*m, p=0.05) and inflexible runners exhibited greater peak knee extension moment than flexible runners (In=2.83±0.56, Fl=2.44±0.51 Nm/kg*m, p=0.01). For hip flexion at initial contact, a significant interaction existed (pHamstring flexibility results in different mechanical profiles in males and females. Flexibility in the hamstrings may result in decreased moments via active or passive tension. These differences may have implications for performance and injury in flexible female runners.
A Basis Function Approach to Simulate Storm Surge Events for Coastal Flood Risk Assessment
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
Directory of Open Access Journals (Sweden)
Estélio Henrique Martin Dantas
2006-12-01
Full Text Available The objective of this study was to investigate the effects of resistive training on maximum strength, flexibility and functional autonomy, as well as the correlation between maximum strength and functional autonomy of the elderly women (strength group, GF, n=11, = 66.3 ± 7.84 years/control group, GC, n=11, =65.1 ± 3.33 years. They participated of a resistive training (75-85% 1RM during 16 weeks, 2 days/week. Statistical procedures were Pearson’s correlation and Student t-test, using the SPSS package, version 12.0. Data showed signifi cant results for GF on the strength, fl exibility and functional autonomy, and signifi cant correlation between strength and functional autonomy (r=-0.67. The data suggested that training program enhances performance in activities of daily living with a training protocol of only 2 days/week. RESUMO O objetivo desse estudo foi verifi car os efeitos do treinamento resistido na força máxima, na fl exibilidade e na autonomia funcional, bem como a correlação existente entre a força máxima e a autonomia funcional de idosas (grupo de força - GF n=11, = 66,3±7,84 anos e um grupo controle - GC n=11, =65,1±3,33 anos. O GF foi submetido a um treinamento contra resistência de força (75-85% 1RM, por 16 semanas, 2 dias/semana. O tratamento estatístico utilizado foi correlação de Pearson e o teste “t” de Student. Os dados mostraram resultados signifi cativos do GF no ganho da força máxima, fl exibilidade e autonomia funcional, e correlação signifi cativa entre a força máxima medida no exercício supino reto (SR e o teste de autonomia funcional levantar da posição de decúbito ventral (LPDV (r=-0,67. Os dados sugerem que o programa de treinamento melhorou o desempenho das atividades da vida diária da amostra, com um treinamento de apenas 2 dias/semana.
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
Directory of Open Access Journals (Sweden)
D. S. Blaise Williams III
2015-10-01
Full Text Available ABSTRACTBackground:Injuries to runners are common. However, there are many potential contributing factors to injury. While lack of flexibility alone is commonly related to injury, there are clear differences in hamstring flexibility between males and females.Objective: To compare the effect of static hamstring length on sagittal plane mechanics between male and female runners.Method: Forty subjects (30.0±6.4 years participated and were placed in one of 4 groups: flexible males (n=10, inflexible males (n=10, flexible females (n=10, and inflexible females (n=10. All subjects were free of injury at the time of data collection. Three-dimensional kinematics and kinetics were collected while subjects ran over ground across 2 force platforms. Sagittal plane joint angles and moments were calculated at the knee and hip and compared with a 2-way (sex X flexibility ANOVA (α=0.05.Results: Males exhibited greater peak knee extension moment than females (M=2.80±0.47, F=2.48±0.52 Nm/kg*m, p=0.05 and inflexible runners exhibited greater peak knee extension moment than flexible runners (In=2.83±0.56, Fl=2.44±0.51 Nm/kg*m, p=0.01. For hip flexion at initial contact, a significant interaction existed (p<0.05. Flexible females (36.7±7.4º exhibited more hip flexion than inflexible females (27.9±4.6º, p<0.01 and flexible males (30.1±9.5º, p<0.05. No differences existed for knee angle at initial contact, peak knee angle, peak hip angle, or peak hip moment.Conclusion: Hamstring flexibility results in different mechanical profiles in males and females. Flexibility in the hamstrings may result in decreased moments via active or passive tension. These differences may have implications for performance and injury in flexible female runners.
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
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.
Directory of Open Access Journals (Sweden)
Maria eKharitonova
2011-11-01
Full Text Available Young children often perseverate, engaging in previously correct, but no longer appropriate behaviors. One account posits that such perseveration results from the use of stimulus-specific representations of a situation, which are distinct from abstract, generalizable representations that support flexible behavior. Previous findings supported this account, demonstrating that only children who flexibly switch between rules could generalize their behavior to novel stimuli. However, this link between flexibility and generalization might reflect general cognitive abilities, or depend upon similarities across the measures or their temporal order. The current work examined these issues by testing the specificity and generality of this link. In two experiments with three-year-old children, flexibility was measured in terms of switching between rules in a card-sorting task, while abstraction was measured in terms of selecting which stimulus did not belong in an odd-one-out task. The link between flexibility and abstraction was general across (1 abstraction dimensions similar to or different from those in the card-sorting task and (2 abstraction tasks that preceded or followed the switching task. Good performance on abstraction and flexibility measures did not extend to all cognitive tasks, including an IQ measure, and dissociated from children’s ability to gaze at the correct stimulus in the odd-one-out task, suggesting that the link between flexibility and abstraction is specific to such measures, rather than reflecting general abilities that affect all tasks. We interpret these results in terms of the role that developing prefrontal cortical regions play in processes such as working memory, which can support both flexibility and abstraction.
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.
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
Morozenko Andrey Alexandrovich
2012-01-01
In the article, the author proves that the resistance to crises that originate both inside the organization and in the external environment has a great importance in terms of formation of stability of the organizational structure. In this article, the issue of flexibility of the organizational structure is considered; the author demonstrates that the rapidity of the system response to any internal and external impacts is essential for the purpose of appraisal of the system propert...
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...
Qiao, Yanhua; Wang, Xingyue; Ma, Lian; Li, Shengguang; Liang, Jing
2017-10-01
Deficits in behavioral flexibility and recognition memory are commonly observed in mental illnesses and neurodegenerative diseases. Abnormality of the striatum has been implicated in an association with the pathology of these diseases. However, the exact roles of striatal heterogeneous structures in these cognitive functions are still unknown. In the present study, we investigated the effects of suppressing neuronal activity in the dorsomedial striatum (DMStr) and nucleus accumbens core (NAcC) on reversal learning and novelty recognition in mice. In addition, the locomotor activity, anxiety-like behavior and social interaction were analyzed. Neuronal inactivation was performed by expressing lentivirus-mediated tetanus toxin (TeNT) in the target regions. The results showed that reversal learning was facilitated by neuronal inactivation in the DMStr but not the NAcC, which was attributable to accelerated extinction of acquired strategy but not to impaired memory retention. Furthermore, mice with NAcC inactivation spent more time exploring a novel object than a familiar one, comparable to control mice. In contrast, mice with DMStr inactivation exhibited no preference to a novel environment during the novel object or place recognition test. The DMStr mice also exhibited decreased anxiety level. No phenotypic effect was observed in the locomotion or social interaction in mice with either DMStr or NAcC inactivation. Altogether, these findings suggest that the DMStr but not the ventral area of the striatum plays a crucial role in learning and memory by coordinating spatial exploration as well as mediating information updating. Copyright © 2017 Elsevier Inc. All rights reserved.
Directory of Open Access Journals (Sweden)
Oleg M Ganichkin
Full Text Available Selenocysteine tRNAs (tRNA(Sec exhibit a number of unique identity elements that are recognized specifically by proteins of the selenocysteine biosynthetic pathways and decoding machineries. Presently, these identity elements and the mechanisms by which they are interpreted by tRNA(Sec-interacting factors are incompletely understood.We applied rational mutagenesis to obtain well diffracting crystals of murine tRNA(Sec. tRNA(Sec lacking the single-stranded 3'-acceptor end ((ΔGCCARNA(Sec yielded a crystal structure at 2.0 Å resolution. The global structure of (ΔGCCARNA(Sec resembles the structure of human tRNA(Sec determined at 3.1 Å resolution. Structural comparisons revealed flexible regions in tRNA(Sec used for induced fit binding to selenophosphate synthetase. Water molecules located in the present structure were involved in the stabilization of two alternative conformations of the anticodon stem-loop. Modeling of a 2'-O-methylated ribose at position U34 of the anticodon loop as found in a sub-population of tRNA(Secin vivo showed how this modification favors an anticodon loop conformation that is functional during decoding on the ribosome. Soaking of crystals in Mn(2+-containing buffer revealed eight potential divalent metal ion binding sites but the located metal ions did not significantly stabilize specific structural features of tRNA(Sec.We provide the most highly resolved structure of a tRNA(Sec molecule to date and assessed the influence of water molecules and metal ions on the molecule's conformation and dynamics. Our results suggest how conformational changes of tRNA(Sec support its interaction with proteins.
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
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.
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
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
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
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…
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...
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
Durning, Steven J; Costanzo, Michelle E; Beckman, Thomas J; Artino, Anthony R; Roy, Michael J; van der Vleuten, Cees; Holmboe, Eric S; Lipner, Rebecca S; Schuwirth, Lambert
2016-06-01
Diagnostic reasoning involves the thinking steps up to and including arrival at a diagnosis. Dual process theory posits that a physician's thinking is based on both non-analytic or fast, subconscious thinking and analytic thinking that is slower, more conscious, effortful and characterized by comparing and contrasting alternatives. Expertise in clinical reasoning may relate to the two dimensions measured by the diagnostic thinking inventory (DTI): memory structure and flexibility in thinking. Explored the functional magnetic resonance imaging (fMRI) correlates of these two aspects of the DTI: memory structure and flexibility of thinking. Participants answered and reflected upon multiple-choice questions (MCQs) during fMRI. A DTI was completed shortly after the scan. The brain processes associated with the two dimensions of the DTI were correlated with fMRI phases - assessing flexibility in thinking during analytical clinical reasoning, memory structure during non-analytical clinical reasoning and the total DTI during both non-analytical and analytical reasoning in experienced physicians. Each DTI component was associated with distinct functional neuroanatomic activation patterns, particularly in the prefrontal cortex. Our findings support diagnostic thinking conceptual models and indicate mechanisms through which cognitive demands may induce functional adaptation within the prefrontal cortex. This provides additional objective validity evidence for the use of the DTI in medical education and practice settings.
Kok, R.A.W.; Ligthart, P.E.M.
2014-01-01
This study seeks to explain the differential effects of workforce flexibility on incremental and major new product development (NPD). Drawing on the resource-based theory of the firm, human resource management research, and innovation management literature, the authors distinguish two types of
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.)
Cellular and molecular basis of chronic constipation: Taking the functional/idiopathic label out
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...
Tsai, Mei-Hui; Tseng, I-Hsiang; Chiang, Jen-Chi; Li, Jheng-Jia
2014-06-11
Coupling agent-functionalized boron nitride (f-BN) and glycidyl methacrylate-grafted graphene (g-TrG) are simultaneously blended with polyimide (PI) to fabricate a flexible, electrically insulating and thermally conductive PI composite film. The silk-like g-TrG successfully fills in the gap between PI and f-BN to complete the thermal conduction network. In addition, the strong interaction between surface functional groups on f-BN and g-TrG contributes to the effective phonon transfer in the PI matrix. The thermal conductivity (TC) of the PI/f-BN composite films containing additional 1 wt % of g-TrG is at least doubled to the value of PI/f-BN and as high as 16 times to that of the pure PI. The hybrid film PI/f-BN-50/g-TrG-1 exhibits excellent flexibility, sufficient insulating property, the highest TC of 2.11 W/mK, and ultralow coefficient of thermal expansion of 11 ppm/K, which are perfect conditions for future flexible substrate materials requiring efficient heat dissipation.
Li, Wei; Torres, David; Díaz, Ramón; Wang, Zhengjun; Wu, Changsheng; Wang, Chuan; Lin Wang, Zhong; Sepúlveda, Nelson
2017-05-01
Ferroelectret nanogenerators were recently introduced as a promising alternative technology for harvesting kinetic energy. Here we report the device's intrinsic properties that allow for the bidirectional conversion of energy between electrical and mechanical domains; thus extending its potential use in wearable electronics beyond the power generation realm. This electromechanical coupling, combined with their flexibility and thin film-like form, bestows dual-functional transducing capabilities to the device that are used in this work to demonstrate its use as a thin, wearable and self-powered loudspeaker or microphone patch. To determine the device's performance and applicability, sound pressure level is characterized in both space and frequency domains for three different configurations. The confirmed device's high performance is further validated through its integration in three different systems: a music-playing flag, a sound recording film and a flexible microphone for security applications.
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.
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.
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.
International Nuclear Information System (INIS)
Lee, So Hee; Lim, Sooman; Kim, Haekyoung
2015-01-01
Transparent conductive electrode (TCE) with silver nanowires has been widely studied as an alternative of indium tin oxide for flexible electronic or optical devices such as organic light-emitting diodes, and solar cells. However, it has an issue of surface roughness due to nanowire's intrinsic properties. Here, to achieve a smooth electrode with high conductivity and transmittance on polyethylene terephthalate (PET) substrates, a functional layer of poly(N-vinylpyrrolidone) (PVP) is utilized with a mechanical transfer process. The silver nanowire electrode on PVP-coated PET with low surface roughness of 9 nm exhibits the low sheet resistance of 18 Ω □ −1 and high transmittance of 87.6%. It is produced by transferring the silver nanowire electrode spin-coated on the glass to PVP-coated PET using a pressure of 10 MPa for 10 min. Silver nanowire electrode on PVP-coated PET demonstrates the stable sheet resistance of 18 Ω □ −1 after the mechanical taping test due to strong adhesion between PVP functional layer and silver nanowires. Smooth TCE with silver nanowires could be proposed as a transparent electrode for flexible electronic or optical devices, which consist of thin electrical active layers on TCE. - Highlights: • Silver nanowire (Ag NWs) transparent electrodes were fabricated on flexible film. • Flexible film was coated with poly N-vinylpyrrolidone (PVP). • PVP layer plays roles as an adhesive layer and matrix in electrode. • Ag NWs electrode exhibited with low surface roughness of 9 nm. • Ag NWs electrode has a low resistance (18 Ω ☐ −1 ) and high transmittance (87.6%)
Energy Technology Data Exchange (ETDEWEB)
Lee, So Hee; Lim, Sooman; Kim, Haekyoung, E-mail: hkkim@ynu.ac.kr
2015-08-31
Transparent conductive electrode (TCE) with silver nanowires has been widely studied as an alternative of indium tin oxide for flexible electronic or optical devices such as organic light-emitting diodes, and solar cells. However, it has an issue of surface roughness due to nanowire's intrinsic properties. Here, to achieve a smooth electrode with high conductivity and transmittance on polyethylene terephthalate (PET) substrates, a functional layer of poly(N-vinylpyrrolidone) (PVP) is utilized with a mechanical transfer process. The silver nanowire electrode on PVP-coated PET with low surface roughness of 9 nm exhibits the low sheet resistance of 18 Ω □{sup −1} and high transmittance of 87.6%. It is produced by transferring the silver nanowire electrode spin-coated on the glass to PVP-coated PET using a pressure of 10 MPa for 10 min. Silver nanowire electrode on PVP-coated PET demonstrates the stable sheet resistance of 18 Ω □{sup −1} after the mechanical taping test due to strong adhesion between PVP functional layer and silver nanowires. Smooth TCE with silver nanowires could be proposed as a transparent electrode for flexible electronic or optical devices, which consist of thin electrical active layers on TCE. - Highlights: • Silver nanowire (Ag NWs) transparent electrodes were fabricated on flexible film. • Flexible film was coated with poly N-vinylpyrrolidone (PVP). • PVP layer plays roles as an adhesive layer and matrix in electrode. • Ag NWs electrode exhibited with low surface roughness of 9 nm. • Ag NWs electrode has a low resistance (18 Ω ☐{sup −1}) and high transmittance (87.6%)
Guo, Rui; Liu, Jing
2017-10-01
With significant advantages in rapidly restoring the nerve function, electrical stimulation of nervous tissue is a crucial treatment of peripheral nerve injuries leading to common movement disorder. However, the currently available stimulating electrodes generally based on rigid conductive materials would cause a potential mechanical mismatch with soft neural tissues which thus reduces long-term effects of electrical stimulation. Here, we proposed and fabricated a flexible neural microelectrode array system based on the liquid metal GaIn alloy (75.5% Ga and 24.5% In by weight) and via printing approach. Such an alloy with a unique low melting point (10.35 °C) owns excellent electrical conductivity and high compliance, which are beneficial to serve as implantable flexible neural electrodes. The flexible neural microelectrode array embeds four liquid metal electrodes and stretchable interconnects in a PDMS membrane (500 µm in thickness) that possess a lower elastic modulus (1.055 MPa), which is similar to neural tissues with elastic moduli in the 0.1-1.5 MPa range. The electrical experiments indicate that the liquid metal interconnects could sustain over 7000 mechanical stretch cycles with resistance approximately staying at 4 Ω. Over the conceptual experiments on animal sciatic nerve electrical stimulation, the dead bullfrog implanted with flexible neural microelectrode array could even rhythmically contract and move its lower limbs under the electrical stimulations from the implant. This demonstrates a highly efficient way for quickly recovering biological nerve functions. Further, the good biocompatibility of the liquid metal material was justified via a series of biological experiments. This liquid metal modality for neural stimulation is expected to play important roles as biologic electrodes to overcome the fundamental mismatch in mechanics between biological tissues and electronic devices in the coming time.
International Nuclear Information System (INIS)
Guo, Rui; Liu, Jing
2017-01-01
With significant advantages in rapidly restoring the nerve function, electrical stimulation of nervous tissue is a crucial treatment of peripheral nerve injuries leading to common movement disorder. However, the currently available stimulating electrodes generally based on rigid conductive materials would cause a potential mechanical mismatch with soft neural tissues which thus reduces long-term effects of electrical stimulation. Here, we proposed and fabricated a flexible neural microelectrode array system based on the liquid metal GaIn alloy (75.5% Ga and 24.5% In by weight) and via printing approach. Such an alloy with a unique low melting point (10.35 °C) owns excellent electrical conductivity and high compliance, which are beneficial to serve as implantable flexible neural electrodes. The flexible neural microelectrode array embeds four liquid metal electrodes and stretchable interconnects in a PDMS membrane (500 µ m in thickness) that possess a lower elastic modulus (1.055 MPa), which is similar to neural tissues with elastic moduli in the 0.1–1.5 MPa range. The electrical experiments indicate that the liquid metal interconnects could sustain over 7000 mechanical stretch cycles with resistance approximately staying at 4 Ω. Over the conceptual experiments on animal sciatic nerve electrical stimulation, the dead bullfrog implanted with flexible neural microelectrode array could even rhythmically contract and move its lower limbs under the electrical stimulations from the implant. This demonstrates a highly efficient way for quickly recovering biological nerve functions. Further, the good biocompatibility of the liquid metal material was justified via a series of biological experiments. This liquid metal modality for neural stimulation is expected to play important roles as biologic electrodes to overcome the fundamental mismatch in mechanics between biological tissues and electronic devices in the coming time. (paper)
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...
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
The Functional Basis of Wing Patterning in Heliconius Butterflies: The Molecules Behind Mimicry
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
Forging the Basis for Developing Protein-Ligand Interaction Scoring Functions.
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
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.
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...
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
Molecular Basis of Cardiac Delayed Rectifier Potassium Channel Function and Pharmacology.
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.
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.
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.
Directory of Open Access Journals (Sweden)
D. Gallon
2011-03-01
Full Text Available Stretching has been widely used to increase the range of motion. We assessed the effects of a stretching program on muscle-tendon length, flexibility, torque, and activities of daily living of institutionalized older women. Inclusion/exclusion criteria were according to Mini-Mental State Examination (MMSE (>13, Barthel Index (>13 and Lysholm Scoring Scale (>84. Seventeen 67 ± 9 year-old elderly women from a nursing home were divided into 2 groups at random: the control group (CG, N = 9 participated in enjoyable cultural activities; the stretching group (SG, N = 8 performed active stretching of hamstrings, 4 bouts of 1 min each. Both groups were supervised three times per week over a period of 8 weeks. Peak torque was assessed by an isokinetic method. Both groups were evaluated by a photogrammetric method to assess muscle-tendon length of uni- and biarticular hip flexors and hamstring flexibility. All measurements were analyzed before and after 8 weeks by two-way ANOVA with the level of significance set at 5%. Hamstring flexibility increased by 30% in the SG group compared to pre-training (76.5 ± 13.0° vs 59.5 ± 9.0°, P = 0.0002 and by 9.2% compared to the CG group (76.5 ± 13.0° vs 64.0 ± 12.0°, P = 0.0018. Muscle-tendon lengths of hip biarticular flexor muscles (124 ± 6.8° vs 118.3 ± 7.6°, 5.0 ± 7.0%, P = 0.031 and eccentric knee extensor peak torque were decreased in the CG group compared to pre-test values (-49.4 ± 16.8 vs -60.5 ± 18.9 Nm, -15.7 ± 20%, P = 0.048. The stretching program was sufficient to increase hamstring flexibility and a lack of stretching can cause reduction of muscle performance.
Zhao, Fei; Cheng, Huhu; Hu, Yue; Song, Long; Zhang, Zhipan; Jiang, Lan; Qu, Liangti
2014-01-01
Graphitic carbon nitride nanosheet (g-C3N4-NS) has layered structure similar with graphene nanosheet and presents unusual physicochemical properties due to the s-triazine fragments. But their electronic and electrochemical applications are limited by the relatively poor conductivity. The current work provides the first example that atomically thick g-C3N4-NSs are the ideal candidate as the active insulator layer with tunable conductivity for achieving the high performance memory devices with electrical bistability. Unlike in conventional memory diodes, the g-C3N4-NSs based devices combined with graphene layer electrodes are flexible, metal-free and low cost. The functionalized g-C3N4-NSs exhibit desirable dispersibility and dielectricity which support the all-solution fabrication and high performance of the memory diodes. Moreover, the flexible memory diodes are conveniently fabricated through the fast laser writing process on graphene oxide/g-C3N4-NSs/graphene oxide thin film. The obtained devices not only have the nonvolatile electrical bistability with great retention and endurance, but also show the rewritable memory effect with a reliable ON/OFF ratio of up to 105, which is the highest among all the metal-free flexible memory diodes reported so far, and even higher than those of metal-containing devices. PMID:25073687
Zhao, Fei; Cheng, Huhu; Hu, Yue; Song, Long; Zhang, Zhipan; Jiang, Lan; Qu, Liangti
2014-07-01
Graphitic carbon nitride nanosheet (g-C3N4-NS) has layered structure similar with graphene nanosheet and presents unusual physicochemical properties due to the s-triazine fragments. But their electronic and electrochemical applications are limited by the relatively poor conductivity. The current work provides the first example that atomically thick g-C3N4-NSs are the ideal candidate as the active insulator layer with tunable conductivity for achieving the high performance memory devices with electrical bistability. Unlike in conventional memory diodes, the g-C3N4-NSs based devices combined with graphene layer electrodes are flexible, metal-free and low cost. The functionalized g-C3N4-NSs exhibit desirable dispersibility and dielectricity which support the all-solution fabrication and high performance of the memory diodes. Moreover, the flexible memory diodes are conveniently fabricated through the fast laser writing process on graphene oxide/g-C3N4-NSs/graphene oxide thin film. The obtained devices not only have the nonvolatile electrical bistability with great retention and endurance, but also show the rewritable memory effect with a reliable ON/OFF ratio of up to 105, which is the highest among all the metal-free flexible memory diodes reported so far, and even higher than those of metal-containing devices.
Energy Technology Data Exchange (ETDEWEB)
Bendiek, Ansgar
2012-07-15
The author analyzes the decision to abandon the revision clause, i.e. to abandon entrepreneurial flexibility on the basis of the option price theory and the use of derivatives in coal trading. The focus is on subventionless continuation of coal mining. It is found that the abandoning of the revision clause will involve a loss of value of the real option of about 819 million Euros. Politicians and the coal industry are advised to revise the subventionless continuation of coal mining by the end of 2015.
Directory of Open Access Journals (Sweden)
Mohammad Javad Mahdavinejad
2015-03-01
Full Text Available Man raises level of his needs by falsifying the nature and construction of the built spaces. By examining various aspects and complex dimensions of the human, variable and different needs can be clearly seen. Therefore, an architectural construction, especially housing, should be able to set the access conditions to meet the highest level of the needs and achieve to the highest level of responsiveness to the needs of users. Thus, conditions such as flexibility, adaptability, variability and all the principles that lead to generate opportunities and capacities proportional to user's needs in a building has been double necessary. With looking at the traditional architecture, we find that, despite the limitations in manufacturing technology, the architects used their own strategies for responding to existing problems. Strategies such as the use of multi-functional space, embedding spaces in the three scales of tiny, medium and large scales as well as ability to separate or merge spaces, are some of these items. By knowing, however, Iran's traditional home space is flexible, in this study, we sought to answer the question whether this flexibility in space has a role in the amount of energy consumption of the building? If there is, it has an increasing or decreasing role? In order to answer this question, several examples of traditional houses in the hot and dry climates is simulated that, due to brevity it is not expressed in this study. Among them, for example, is expressed Boroujerdi House and energy consumption of the existing state compared with when a space had not seasonal versatility. Finally, it is concluded that flexibility, reduce energy consumption in traditional buildings.
Pupil filter design by using a Bessel functions basis at the image plane.
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.
Concepts of soil mapping as a basis for the assessment of soil functions
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.
CSIR Research Space (South Africa)
Smith, Suzanne
2018-05-01
Full Text Available This work explores the practical functionality of ultra-high frequency (UHF) radio frequency identification (RFID) tags screen printed onto various low-cost, flexible substrates. The need for integrated and automated low-cost point...
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.
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...
Modeling of the Gross Regional Product on the Basis of Production Functions
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…
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
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)
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)
Resting state functional connectivity: its physiological basis and application in neuropharmacology.
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.
The neuropathological basis to the functional role of microglia/macrophages in gliomas.
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.
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
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.
Pfleger, Christopher; Rathi, Prakash Chandra; Klein, Doris L; Radestock, Sebastian; Gohlke, Holger
2013-04-22
For deriving maximal advantage from information on biomacromolecular flexibility and rigidity, results from rigidity analyses must be linked to biologically relevant characteristics of a structure. Here, we describe the Python-based software package Constraint Network Analysis (CNA) developed for this task. CNA functions as a front- and backend to the graph-based rigidity analysis software FIRST. CNA goes beyond the mere identification of flexible and rigid regions in a biomacromolecule in that it (I) provides a refined modeling of thermal unfolding simulations that also considers the temperature-dependence of hydrophobic tethers, (II) allows performing rigidity analyses on ensembles of network topologies, either generated from structural ensembles or by using the concept of fuzzy noncovalent constraints, and (III) computes a set of global and local indices for quantifying biomacromolecular stability. This leads to more robust results from rigidity analyses and extends the application domain of rigidity analyses in that phase transition points ("melting points") and unfolding nuclei ("structural weak spots") are determined automatically. Furthermore, CNA robustly handles small-molecule ligands in general. Such advancements are important for applying rigidity analysis to data-driven protein engineering and for estimating the influence of ligand molecules on biomacromolecular stability. CNA maintains the efficiency of FIRST such that the analysis of a single protein structure takes a few seconds for systems of several hundred residues on a single core. These features make CNA an interesting tool for linking biomacromolecular structure, flexibility, (thermo-)stability, and function. CNA is available from http://cpclab.uni-duesseldorf.de/software for nonprofit organizations.
A Sequential Optimization Sampling Method for Metamodels with Radial Basis Functions
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
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.
Thermal Remote Sensing: A Powerful Tool in the Characterization of Landscapes on a Functional Basis
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.
The functional and structural neural basis of individual differences in loss aversion.
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.
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)
Protein Tyrosine Nitration: Biochemical Mechanisms and Structural Basis of its Functional Effects
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
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.
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.
Iglesias, Daniel; Senokos, Evgeny; Alemán, Belén; Cabana, Laura; Navío, Cristina; Marcilla, Rebeca; Prato, Maurizio; Vilatela, Juan J; Marchesan, Silvia
2018-02-14
The assembly of aligned carbon nanotubes (CNTs) into fibers (CNTFs) is a convenient approach to exploit and apply the unique physico-chemical properties of CNTs in many fields. CNT functionalization has been extensively used for its implementation into composites and devices. However, CNTF functionalization is still in its infancy because of the challenges associated with preservation of CNTF morphology. Here, we report a thorough study of the gas-phase functionalization of CNTF assemblies using ozone which was generated in situ from a UV source. In contrast with liquid-based oxidation methods, this gas-phase approach preserves CNTF morphology, while notably increasing its hydrophilicity. The functionalized material is thoroughly characterized by Raman spectroscopy, X-ray photoelectron spectroscopy, transmission electron microscopy, and scanning electron microscopy. Its newly acquired hydrophilicity enables CNTF electrochemical characterization in aqueous media, which was not possible for the pristine material. Through comparison of electrochemical measurements in aqueous electrolytes and ionic liquids, we decouple the effects of functionalization on pseudocapacitive reactions and quantum capacitance. The functionalized CNTF assembly is successfully used as an active material and a current collector in all-solid supercapacitor flexible devices with an ionic liquid-based polymer electrolyte.
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.
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.
Discerning Thermodynamic Basis of Self-Organization in Critical Zone Structure and Function
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.
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.
Bradshaw, Sarah E.; Agster, Kara L.; Waterhouse, Barry D.; McGaughy, Jill A.
2016-01-01
Adolescence is a period of major behavioral and brain reorganization. As diagnoses and treatment of disorders like attention deficit hyperactivity disorder (ADHD) often occur during adolescence, it is important to understand how the prefrontal cortices change and how these changes may influence the response to drugs during development. The current study uses an adolescent rat model to study the effect of standard ADHD treatments, atomoxetine and methylphenidate on attentional set shifting and reversal learning. While both of these drugs act as norepinephrine reuptake inhibitors, higher doses of atomoxetine and all doses of methylphenidate also block dopamine transporters (DAT). Low doses of atomoxetine, were effective at remediating cognitive rigidity found in adolescents. In contrast, methylphenidate improved performance in rats unable to form an attentional set due to distractibility but was without effect in normal subjects. We also assessed the effects of GBR 12909, a selective DAT inhibitor, but found no effect of any dose on behavior. A second study in adolescent rats investigated changes in norepinephrine transporter (NET) and dopamine beta hydroxylase (DBH) density in five functionally distinct subregions of the prefrontal cortex: infralimbic, prelimbic, anterior cingulate, medial and lateral orbitofrontal cortices. These regions are implicated in impulsivity and distractibility. We found that NET, but not DBH, changed across adolescence in a regionally selective manner. The prelimbic cortex, which is critical to cognitive rigidity, and the lateral orbitofrontal cortex, critical to reversal learning and some forms of response inhibition, showed higher levels of NET at early than mid- to late adolescence. PMID:26774596
Singhal, K.
2016-01-01
Proteins are uniquely-shaped macromolecules that function as biological machines, and regulate a living cell’s behavior. Crucial to protein function is the folding of the polypeptide chain into a unique well-defined three-dimensional conformation. In complex cell environments, the spontaneous
Energy Technology Data Exchange (ETDEWEB)
Mei, Yang; Ramanathan, Arvind; Glover, Karen; Stanley, Christopher; Sanishvili, Ruslan; Chakravarthy, Srinivas; Yang, Zhongyu; Colbert, Christopher L.; Sinha, Sangita C.
2016-04-05
BECN1 is essential for autophagy, a critical eukaryotic cellular homeostasis pathway. Here we delineate a highly conserved BECN1 domain located between previously characterized BH3 and coiled-coil domains and elucidate its structure and role in autophagy. The 2.0 angstrom sulfur-single-wavelength anomalous dispersion X-ray crystal structure of this domain demonstrates that its N-terminal half is unstructured while its C-terminal half is helical; hence, we name it the flexible helical domain (FHD). Circular dichroism spectroscopy, double electron electron resonance electron paramagnetic resonance, and small-angle X-ray scattering (SAXS) analyses confirm that the FHD is partially disordered, even in the context of adjacent BECN1 domains. Molecular dynamic simulations fitted to SAXS data indicate that the FHD transiently samples more helical conformations. FHD helicity increases in 2,2,2-trifluoroethanol, suggesting it may become more helical upon binding. Lastly, cellular studies show that conserved FHD residues are required for starvation-induced autophagy. Thus, the FHD likely undergoes a binding-associated disorder to-helix transition, and conserved residues critical for this interaction are essential for starvation-induced autophagy.
A Flexible Monopole Antenna with Dual-Notched Band Function for Ultrawideband Applications
Directory of Open Access Journals (Sweden)
Xiaoyan Zhang
2014-01-01
Full Text Available We present a flexible ultrawideband (UWB planar monopole antenna with dual-notched band characteristic printed on a polyimide substrate. The antenna is fed by a step coplanar waveguide (CPW that provides smooth transitional impedance for improved matching. It operates from 2.76 to 10.6 GHz with return loss greater than 10 dB except for the notch band to reduce the interference with existing 3.5 GHz WiMAX band and 5.5 GHz WLAN band. With a combination of rectangular and circle patches in which the U-shaped slot is carved, the overall size of antenna is 30 mm × 20 mm. Moreover, a pair of arc-shaped stubs located at both sides of the feed line is utilized to create the notch band for WiMAX band. The results also show that the antenna has omnidirectional radiation pattern and smooth gain over the entire operational band.
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.
The conceptual basis of mathematics in cardiology: (I) algebra, functions and graphs.
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
Flexible shape-memory scaffold for minimally invasive delivery of functional tissues
Montgomery, Miles; Ahadian, Samad; Davenport Huyer, Locke; Lo Rito, Mauro; Civitarese, Robert A.; Vanderlaan, Rachel D.; Wu, Jun; Reis, Lewis A.; Momen, Abdul; Akbari, Saeed; Pahnke, Aric; Li, Ren-Ke; Caldarone, Christopher A.; Radisic, Milica
2017-10-01
Despite great progress in engineering functional tissues for organ repair, including the heart, an invasive surgical approach is still required for their implantation. Here, we designed an elastic and microfabricated scaffold using a biodegradable polymer (poly(octamethylene maleate (anhydride) citrate)) for functional tissue delivery via injection. The scaffold’s shape memory was due to the microfabricated lattice design. Scaffolds and cardiac patches (1 cm × 1 cm) were delivered through an orifice as small as 1 mm, recovering their initial shape following injection without affecting cardiomyocyte viability and function. In a subcutaneous syngeneic rat model, injection of cardiac patches was equivalent to open surgery when comparing vascularization, macrophage recruitment and cell survival. The patches significantly improved cardiac function following myocardial infarction in a rat, compared with the untreated controls. Successful minimally invasive delivery of human cell-derived patches to the epicardium, aorta and liver in a large-animal (porcine) model was achieved.
National Aeronautics and Space Administration — The objective of the proposed research is to develop functionally graded polyimide foams as light-weight, high performance thermal protection systems (TPS) for...
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.
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.
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)
Directory of Open Access Journals (Sweden)
Dan Li
2017-11-01
Full Text Available Abstract Background Epidemiologic surveillance of lung function is key to clinical care of individuals with cystic fibrosis, but lung function decline is nonlinear and often impacted by acute respiratory events known as pulmonary exacerbations. Statistical models are needed to simultaneously estimate lung function decline while providing risk estimates for the onset of pulmonary exacerbations, in order to identify relevant predictors of declining lung function and understand how these associations could be used to predict the onset of pulmonary exacerbations. Methods Using longitudinal lung function (FEV1 measurements and time-to-event data on pulmonary exacerbations from individuals in the United States Cystic Fibrosis Registry, we implemented a flexible semiparametric joint model consisting of a mixed-effects submodel with regression splines to fit repeated FEV1 measurements and a time-to-event submodel for possibly censored data on pulmonary exacerbations. We contrasted this approach with methods currently used in epidemiological studies and highlight clinical implications. Results The semiparametric joint model had the best fit of all models examined based on deviance information criterion. Higher starting FEV1 implied more rapid lung function decline in both separate and joint models; however, individualized risk estimates for pulmonary exacerbation differed depending upon model type. Based on shared parameter estimates from the joint model, which accounts for the nonlinear FEV1 trajectory, patients with more positive rates of change were less likely to experience a pulmonary exacerbation (HR per one standard deviation increase in FEV1 rate of change = 0.566, 95% CI 0.516–0.619, and having higher absolute FEV1 also corresponded to lower risk of having a pulmonary exacerbation (HR per one standard deviation increase in FEV1 = 0.856, 95% CI 0.781–0.937. At the population level, both submodels indicated significant effects of birth
Prefrontal cortex and hippocampus in behavioural flexibility and posttraumatic functional recovery
DEFF Research Database (Denmark)
Rytter, Hana Malá; Andersen, Lykke Grønbech; Christensen, Rie Friis
2015-01-01
-shifting. Postoperatively, the animals were trained to perform a spatial discrimination go-right task. This was followed by (1) a spatial reversal go-left task (reversal learning), or (2) a visual pattern discrimination task (set-shift). Neither single (PFC or FF) lesion nor combined (COMB) lesions affected the animals....... We conclude that both the PFC and the hippocampus contributed to the mediation of the reversal learning and set-shifting. During functional recovery of reversal learning, these two structures exhibited a mutual dependency, whilst the functional recovery of set-shifting was mediated by a substrate...
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.
Ulrich, Martin; Adams, Sarah C; Kiefer, Markus
2014-11-01
In classical theories of attention, unconscious automatic processes are thought to be independent of higher-level attentional influences. Here, we propose that unconscious processing depends on attentional enhancement of task-congruent processing pathways implemented by a dynamic modulation of the functional communication between brain regions. Using functional magnetic resonance imaging, we tested our model with a subliminally primed lexical decision task preceded by an induction task preparing either a semantic or a perceptual task set. Subliminal semantic priming was significantly greater after semantic compared to perceptual induction in ventral occipito-temporal (vOT) and inferior frontal cortex, brain areas known to be involved in semantic processing. The functional connectivity pattern of vOT varied depending on the induction task and successfully predicted the magnitude of behavioral and neural priming. Together, these findings support the proposal that dynamic establishment of functional networks by task sets is an important mechanism in the attentional control of unconscious processing. © 2014 Wiley Periodicals, Inc.
Gutiérrez, J.S.; Dietz, M.W.; Masero, J.A.; Gill, R.E.; Dekinga, A.; Battley, P.F.; Sánchez-Guzmán, J.M.; Piersma, T.
2012-01-01
1. Birds of marine environments have specialized glands to excrete salt, the saltglands. Located on the skull between the eyes, the size of these organs is expected to reflect their demand, which will vary with water turnover rates as a function of environmental (heat load, salinity of prey and
Flexible and Versatile as a Chameleon—Sophisticated Functions of microRNA-199a
Directory of Open Access Journals (Sweden)
Shen Gu
2012-07-01
Full Text Available Although widely studied in the past decade, our knowledge of the functional role of microRNAs (miRNAs remains limited. Among the many miRNAs identified in humans, we focus on miR-199a due to its varied and important functions in diverse models and systems. Its expression is finely regulated by promoter methylation and direct binding of transcription factors such as TWIST1. During tumorigenesis, depending on the nature of the cancer, miR-199a, especially its -3p mature form, may act as either a potential tumor suppressor or an oncogene. Its 5p mature form has been shown to protect cardiomyocytes from hypoxic damage via its action on HIF1α. It also has a functional role in stem cell differentiation, embryo development, hepatitis, liver fibrosis, etc. Though it has varied biological activities, its regulation has not been reviewed. The varied and protean functions of miR-199a suggest that efforts to generalize the action of a miRNA are problematic. This review provides a comprehensive survey of the literature on miR-199a as an example of the complexity of miRNA biology and suggests future directions for miRNA research.
Kijlstra, Jan David; Hu, Dongjian; van der Meer, Peter; Domian, Ibrahim J
2017-01-01
Human pluripotent stem-cell derived cardiomyocytes (hPSC-CMs) hold great promise for applications in human disease modeling, drug discovery, cardiotoxicity screening, and, ultimately, regenerative medicine. The ability to study multiple parameters of hPSC-CM function, such as contractile and
Cretenet, Joel; Dru, Vincent
2009-01-01
Recent research has shown that performing approach versus avoidance behaviors (arm flexion vs. extension) effectively influences cognitive functioning. In another area, lateralized peripheral activations (left vs. right side) of the motivational systems of approach versus avoidance were linked to various performances in cognitive tasks. By…
Flexible gateway constructs for functional analyses of genes in plant pathogenic fungi
Mehrabi, Rahim; Mirzadi Gohari, Amir; Silva, da Gilvan Ferreira; Steinberg, Gero; Kema, Gert H.J.; Wit, de Pierre J.G.M.
2015-01-01
Genetic manipulation of fungi requires quick, low-cost, efficient, high-throughput and molecular tools. In this paper, we report 22 entry constructs as new molecular tools based on the Gateway technology facilitating rapid construction of binary vectors that can be used for functional analysis of
Gutierrez, Jorge S.; Dietz, Maurine W.; Masero, Jose A.; Gill, Robert E.; Dekinga, Anne; Battley, Phil F.; Sanchez-Guzman, Juan M.; Piersma, Theunis; Dawson, Alistair
1. Birds of marine environments have specialized glands to excrete salt, the saltglands. Located on the skull between the eyes, the size of these organs is expected to reflect their demand, which will vary with water turnover rates as a function of environmental (heat load, salinity of prey and
Bochevarov, Art D; Watson, Mark A; Greenwood, Jeremy R; Philipp, Dean M
2016-12-13
We consider the conformational flexibility of molecules and its implications for micro- and macro-pK a . The corresponding formulas are derived and discussed against the background of a comprehensive scientific and algorithmic description of the latest version of our computer program Jaguar pK a , a density functional theory-based pK a predictor, which is now capable of acting on multiple conformations explicitly. Jaguar pK a is essentially a complex computational workflow incorporating research and technologies from the fields of cheminformatics, molecular mechanics, quantum mechanics, and implicit solvation models. The workflow also makes use of automatically applied empirical corrections which account for the systematic errors resulting from the neglect of explicit solvent interactions in the algorithm's implicit solvent model. Applications of our program to large, flexible organic molecules representing several classes of functional groups are shown, with a particular emphasis in illustrations laid on drug-like molecules. It is demonstrated that a combination of aggressive conformational search and an explicit consideration of multiple conformations nearly eliminates the dependence of results on the initially chosen conformation. In certain cases this leads to unprecedented accuracy, which is sufficient for distinguishing stereoisomers that have slightly different pK a values. An application of Jaguar pK a to proton sponges, the pK a of which are strongly influenced by steric effects, showcases the advantages that pK a predictors based on quantum mechanical calculations have over similar empirical programs.
Direct metal transfer printing on flexible substrate for fabricating optics functional devices
Jiang, Yingjie; Zhou, Xiaohong; Zhang, Feng; Shi, Zhenwu; Chen, Linsen; Peng, Changsi
2015-11-01
New functional materials and devices based on metal patterns can be widely used in many new and expanding industries,such as flat panel displays, alternative energy,sensors and so on. In this paper, we introduce a new transfer printing method for fabricating metal optics functional devices. This method can directly transfer a metal pattern from a polyethylene terephthalate (PET)supported UV or polydimethylsiloxane (PDMS) pattern to another PET substrate. Purely taking advantage of the anaerobic UV curing adhesive (a-UV) on PET substrate, metal film can be easily peeled off from micro/nano-structured surface. As a result, metal film on the protrusion can be selectively transferred onto the target substrate, to make it the metal functional surface. But which on the bottom can not be transferred. This method provides low cost fabrication of metal thin film devices by avoiding high cost lithography process. Compared with conventional approach, this method can get more smooth rough edges and has wider tolerance range for the original master mold. Future developments and potential applications of this metal transfer method will be addressed.
International Nuclear Information System (INIS)
Fujii, Makoto; Seki, Eiji; Tai, Ichiro; Morioka, Toshihiko
1988-01-01
For the reliable and efficient diagnosis and inspection work of the nuclear power plant equipments, 'Diagnosis and Maintenance Support System' has been developed. This system has functions to assist operators or engineers to observe and evaluate equipment conditions based on the experts' knowledge. These functions are carried out through dialogue between the system and users. This system has two subsystems: diagnosis subsystem and knowledge base edition support subsystem. To achieve the functions of diagnosis subsystem, a new method of knowledge processing for equipment diagnosis is adopted. This method is based on the concept of 'Cause Generation and Checking'. Knowledge for diagnosis is represented with modularized production rules. And each rule module consists of four different type rules with hierarchical structure. With this approach, the system is equipped with sufficient performance not only in diagnosis function but also in flexible man-machine interface. Knowledge base edition support subsystem (Graphical Rule Editor) is provided for this system. This editor has functions to display and edit the contents of knowledge base with tree structures through the graphic display. With these functions, the efficiency of constructing expert system is highly improved. By applying this system to the maintenance support of neutron monitoring system, it is proved that this system has satisfactory performance as a diagnosis and maintenance support system. (author)
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.
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.
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.
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.
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.
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....
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.
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.
Miller, Russell J; Casal, Roberto F; Lazarus, Donald R; Ost, David E; Eapen, George A
2018-03-01
Flexible bronchoscopy has changed the course of pulmonary medicine. As technology advances, the role of the flexible bronchoscope for both diagnostic and therapeutic indications is continually expanding. This article reviews the historical development of the flexible bronchoscopy, fundamental uses of the flexible bronchoscope as a tool to examine the central airways and obtain diagnostic tissue, and the indications, complications, and contraindications to flexible bronchoscopy. Copyright © 2017 Elsevier Inc. All rights reserved.
Cao, Hu; Lu, Yonggang
2017-01-01
With the rapid growth of known protein 3D structures in number, how to efficiently compare protein structures becomes an essential and challenging problem in computational structural biology. At present, many protein structure alignment methods have been developed. Among all these methods, flexible structure alignment methods are shown to be superior to rigid structure alignment methods in identifying structure similarities between proteins, which have gone through conformational changes. It is also found that the methods based on aligned fragment pairs (AFPs) have a special advantage over other approaches in balancing global structure similarities and local structure similarities. Accordingly, we propose a new flexible protein structure alignment method based on variable-length AFPs. Compared with other methods, the proposed method possesses three main advantages. First, it is based on variable-length AFPs. The length of each AFP is separately determined to maximally represent a local similar structure fragment, which reduces the number of AFPs. Second, it uses local coordinate systems, which simplify the computation at each step of the expansion of AFPs during the AFP identification. Third, it decreases the number of twists by rewarding the situation where nonconsecutive AFPs share the same transformation in the alignment, which is realized by dynamic programming with an improved transition function. The experimental data show that compared with FlexProt, FATCAT, and FlexSnap, the proposed method can achieve comparable results by introducing fewer twists. Meanwhile, it can generate results similar to those of the FATCAT method in much less running time due to the reduced number of AFPs.
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
Granovsky, Alexey E.; Clark, Matthew C.; McElheny, Dan; Heil, Gary; Hong, Jia; Liu, Xuedong; Kim, Youngchang; Joachimiak, Grazyna; Joachimiak, Andrzej; Koide, Shohei; Rosner, Marsha Rich
2009-01-01
Raf kinase inhibitory protein (RKIP/PEBP1), a member of the phosphatidylethanolamine binding protein family that possesses a conserved ligand-binding pocket, negatively regulates the mammalian mitogen-activated protein kinase (MAPK) signaling cascade. Mutation of a conserved site (P74L) within the pocket leads to a loss or switch in the function of yeast or plant RKIP homologues. However, the mechanism by which the pocket influences RKIP function is unknown. Here we show that the pocket integrates two regulatory signals, phosphorylation and ligand binding, to control RKIP inhibition of Raf-1. RKIP association with Raf-1 is prevented by RKIP phosphorylation at S153. The P74L mutation increases kinase interaction and RKIP phosphorylation, enhancing Raf-1/MAPK signaling. Conversely, ligand binding to the RKIP pocket inhibits kinase interaction and RKIP phosphorylation by a noncompetitive mechanism. Additionally, ligand binding blocks RKIP association with Raf-1. Nuclear magnetic resonance studies reveal that the pocket is highly dynamic, rationalizing its capacity to interact with distinct partners and be involved in allosteric regulation. Our results show that RKIP uses a flexible pocket to integrate ligand binding- and phosphorylation-dependent interactions and to modulate the MAPK signaling pathway. This mechanism is an example of an emerging theme involving the regulation of signaling proteins and their interaction with effectors at the level of protein dynamics. PMID:19103740
Granovsky, Alexey E; Clark, Matthew C; McElheny, Dan; Heil, Gary; Hong, Jia; Liu, Xuedong; Kim, Youngchang; Joachimiak, Grazyna; Joachimiak, Andrzej; Koide, Shohei; Rosner, Marsha Rich
2009-03-01
Raf kinase inhibitory protein (RKIP/PEBP1), a member of the phosphatidylethanolamine binding protein family that possesses a conserved ligand-binding pocket, negatively regulates the mammalian mitogen-activated protein kinase (MAPK) signaling cascade. Mutation of a conserved site (P74L) within the pocket leads to a loss or switch in the function of yeast or plant RKIP homologues. However, the mechanism by which the pocket influences RKIP function is unknown. Here we show that the pocket integrates two regulatory signals, phosphorylation and ligand binding, to control RKIP inhibition of Raf-1. RKIP association with Raf-1 is prevented by RKIP phosphorylation at S153. The P74L mutation increases kinase interaction and RKIP phosphorylation, enhancing Raf-1/MAPK signaling. Conversely, ligand binding to the RKIP pocket inhibits kinase interaction and RKIP phosphorylation by a noncompetitive mechanism. Additionally, ligand binding blocks RKIP association with Raf-1. Nuclear magnetic resonance studies reveal that the pocket is highly dynamic, rationalizing its capacity to interact with distinct partners and be involved in allosteric regulation. Our results show that RKIP uses a flexible pocket to integrate ligand binding- and phosphorylation-dependent interactions and to modulate the MAPK signaling pathway. This mechanism is an example of an emerging theme involving the regulation of signaling proteins and their interaction with effectors at the level of protein dynamics.
Energy Technology Data Exchange (ETDEWEB)
Hlushak, S. P., E-mail: stepan.hlushak@gmail.com [Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, Tennessee 37235 (United States); Institute for Condensed Matter Physics, Svientsitskoho 1, 79011 Lviv (Ukraine); Cummings, P. T. [Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, Tennessee 37235 (United States); Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); McCabe, C. [Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, Tennessee 37235 (United States); Department of Chemistry, Vanderbilt University, Nashville 37235 (United States)
2013-12-21
Adsorption of flexible oligomers into narrow cylindrical pores has been studied by means of several versions of classical density functional theory (CDFT) and Monte Carlo simulation. The adsorption process is interesting to study due to the competition between the entropic depletion of oligomers from the pores and the wall–oligomer attraction. It is also challenging to describe using current CDFTs, which tend to overestimate the amount of the adsorbed fluid. From a comparison of several different CDFT approaches, we find that this is due to the assumption of ideal or freely jointed chain conformations. Moreover, it is demonstrated that it is impossible to obtain a reasonable description of the adsorption isotherms without taking into account accurate contact values in the distribution functions describing the structure of the reference monomer fluid. At low densities, more accurate result are obtained in comparison with Monte Carlo simulation data when accurate contact values are incorporated into the theory rather than the more commonly used hard-sphere contact value. However, even the CDFT with accurate contact values still overestimates the amount of the adsorbed fluid due to the ideal or freely jointed chain approximation, used for the description of chain conformations in most CDFT approaches. We find that significant improvement can achieved by employing self-consistent field theory, which samples self-avoiding chain conformations and decreases the number of possible chain conformations, and, consequently, the amount of the adsorbed fluid.
Hlushak, S P; Cummings, P T; McCabe, C
2013-12-21
Adsorption of flexible oligomers into narrow cylindrical pores has been studied by means of several versions of classical density functional theory (CDFT) and Monte Carlo simulation. The adsorption process is interesting to study due to the competition between the entropic depletion of oligomers from the pores and the wall-oligomer attraction. It is also challenging to describe using current CDFTs, which tend to overestimate the amount of the adsorbed fluid. From a comparison of several different CDFT approaches, we find that this is due to the assumption of ideal or freely jointed chain conformations. Moreover, it is demonstrated that it is impossible to obtain a reasonable description of the adsorption isotherms without taking into account accurate contact values in the distribution functions describing the structure of the reference monomer fluid. At low densities, more accurate result are obtained in comparison with Monte Carlo simulation data when accurate contact values are incorporated into the theory rather than the more commonly used hard-sphere contact value. However, even the CDFT with accurate contact values still overestimates the amount of the adsorbed fluid due to the ideal or freely jointed chain approximation, used for the description of chain conformations in most CDFT approaches. We find that significant improvement can achieved by employing self-consistent field theory, which samples self-avoiding chain conformations and decreases the number of possible chain conformations, and, consequently, the amount of the adsorbed fluid.
International Nuclear Information System (INIS)
Hlushak, S. P.; Cummings, P. T.; McCabe, C.
2013-01-01
Adsorption of flexible oligomers into narrow cylindrical pores has been studied by means of several versions of classical density functional theory (CDFT) and Monte Carlo simulation. The adsorption process is interesting to study due to the competition between the entropic depletion of oligomers from the pores and the wall–oligomer attraction. It is also challenging to describe using current CDFTs, which tend to overestimate the amount of the adsorbed fluid. From a comparison of several different CDFT approaches, we find that this is due to the assumption of ideal or freely jointed chain conformations. Moreover, it is demonstrated that it is impossible to obtain a reasonable description of the adsorption isotherms without taking into account accurate contact values in the distribution functions describing the structure of the reference monomer fluid. At low densities, more accurate result are obtained in comparison with Monte Carlo simulation data when accurate contact values are incorporated into the theory rather than the more commonly used hard-sphere contact value. However, even the CDFT with accurate contact values still overestimates the amount of the adsorbed fluid due to the ideal or freely jointed chain approximation, used for the description of chain conformations in most CDFT approaches. We find that significant improvement can achieved by employing self-consistent field theory, which samples self-avoiding chain conformations and decreases the number of possible chain conformations, and, consequently, the amount of the adsorbed fluid
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.
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.
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.
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.
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
Lee, Chi-Yuan; Fan, Wei-Yuan; Chang, Chih-Ping
2011-01-01
In this investigation, micro voltage, temperature and humidity sensors were fabricated and integrated for the first time on a stainless steel foil using micro-electro-mechanical systems (MEMS). These flexible multi-functional micro sensors have the advantages of high temperature resistance, flexibility, smallness, high sensitivity and precision of location. They were embedded in a proton exchange membrane fuel cell (PEMFC) and used to simultaneously measure variations in the inner voltage, temperature and humidity. The accuracy and reproducibility of the calibrated results obtained using the proposed micro sensors is excellent. The experimental results indicate that, at high current density and 100%RH or 75%RH, the relative humidity midstream and downstream saturates due to severe flooding. The performance of the PEM fuel cell can be stabilized using home-made flexible multi-functional micro sensors by the in-situ monitoring of local voltage, temperature and humidity distributions within it.
Directory of Open Access Journals (Sweden)
Chih-Ping Chang
2011-01-01
Full Text Available In this investigation, micro voltage, temperature and humidity sensors were fabricated and integrated for the first time on a stainless steel foil using micro-electro-mechanical systems (MEMS. These flexible multi-functional micro sensors have the advantages of high temperature resistance, flexibility, smallness, high sensitivity and precision of location. They were embedded in a proton exchange membrane fuel cell (PEMFC and used to simultaneously measure variations in the inner voltage, temperature and humidity. The accuracy and reproducibility of the calibrated results obtained using the proposed micro sensors is excellent. The experimental results indicate that, at high current density and 100%RH or 75%RH, the relative humidity midstream and downstream saturates due to severe flooding. The performance of the PEM fuel cell can be stabilized using home-made flexible multi-functional micro sensors by the in-situ monitoring of local voltage, temperature and humidity distributions within it.
Lee, Chi-Yuan; Fan, Wei-Yuan; Chang, Chih-Ping
2011-01-01
In this investigation, micro voltage, temperature and humidity sensors were fabricated and integrated for the first time on a stainless steel foil using micro-electro-mechanical systems (MEMS). These flexible multi-functional micro sensors have the advantages of high temperature resistance, flexibility, smallness, high sensitivity and precision of location. They were embedded in a proton exchange membrane fuel cell (PEMFC) and used to simultaneously measure variations in the inner voltage, temperature and humidity. The accuracy and reproducibility of the calibrated results obtained using the proposed micro sensors is excellent. The experimental results indicate that, at high current density and 100%RH or 75%RH, the relative humidity midstream and downstream saturates due to severe flooding. The performance of the PEM fuel cell can be stabilized using home-made flexible multi-functional micro sensors by the in-situ monitoring of local voltage, temperature and humidity distributions within it. PMID:22319361
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.
Weiss, Christoph R.; Briglauer, Wolfgang
2000-01-01
By building on theoretical work by Mills and Schumann (1985) and Ungern-Sternberg (1990) this paper provides evidence on the determinants of two dimensions of flexibility, the flexibility in adjusting aggregate output over time (tactical flexibility) as well as the ability to switch quickly between products (operational flexibility). Econometric analysis of a sample of 40.000 farms in Upper-Austria for the period 1980 to 1990 suggests that larger full-time farms operated by younger, better ed...
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.
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.
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
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.
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.
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.
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.
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.
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.
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)
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.
DEFF Research Database (Denmark)
• First major publication on the phenomenon • Offers cross-linguistic, descriptive, and diverse theoretical approaches • Includes analysis of data from different language families and from lesser studied languages This book is the first major cross-linguistic study of 'flexible words', i.e. words...... that cannot be classified in terms of the traditional lexical categories Verb, Noun, Adjective or Adverb. Flexible words can - without special morphosyntactic marking - serve in functions for which other languages must employ members of two or more of the four traditional, 'specialised' word classes. Thus......, flexible words are underspecified for communicative functions like 'predicating' (verbal function), 'referring' (nominal function) or 'modifying' (a function typically associated with adjectives and e.g. manner adverbs). Even though linguists have been aware of flexible world classes for more than...
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
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
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.
Wang, Haiping; Liu, Xiancheng; Wang, Xin; Lv, Zhenqian; Liu, Xiaojun; Xu, Ping
2016-11-01
Annuloplasty bands and rings are widely used for repairing functional tricuspid regurgitation (FTR). However, the question regarding which is the ideal annuloplasty device remains unclear. The aim of this study was to compare the efficacy and mid-term durability of tricuspid ring annuloplasty for FTR secondary to rheumatic mitral valve disease using flexible Cosgrove-Edwards band and the rigid Edwards MC3 ring (Edwards Lifesciences, LLC, Irvine, CA, USA). We retrospectively collected the clinical data of those who underwent mitral valve replacement (MVR) in concomitant with tricuspid ring annuloplasty from 2009 to 2013. The flexible band was used in 46 patients (flexible group), and the 3D rigid ring was used in 60 patients (rigid group). Echocardiographic evaluation of tricuspid function was performed preoperatively and postoperatively. The grade of TR was significantly improved compared to preoperative values in two groups. There was no significant difference regarding postoperative TR grade between the two groups at 1 week and 2-3 months but there was statistical significant difference at postoperative 6-12 months, and 2-3 years. During the follow up period, 25 of 46 patients (54.3%) in flexible group and 22 of 60 patients (30.3%) in rigid group developed recurrent TR. Freedom from recurrent TR in flexible group is significant lower than rigid group in each postoperative follow up period. These findings suggest that 3D rigid ring annuloplasty might be more effective for tricuspid ring annuloplasty in FTR in mid-term postoperative periods when compared to flexible band.
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
Energy Technology Data Exchange (ETDEWEB)
Bendiek, Ansgar [Hochtief Concessions AG, Essen (Germany)
2012-07-01
The author analyses the decision to abandon the co called ''review clause'' (which was the right to revisit the decision to close German hard coal mines in 2012), and thus management flexibility on the basis of the option price theory and use of hedging instruments (derivatives) in coal trading. Only the case of coal production without any subsidies will be taken into account. The original intention of the review clause to subsidise coal production for further years will be left aside. Abandonment of the review clause destroyed a value of the real option of approx. 819 Mio. EUR. It should be agreed with the politicians that the decision concerning potential extension of coal production without subsidies should be made at the end of 2015. At this point in time the coal price for 2019 to 2021 can be locked in by forward contracts. A prerequisite for coal mining without subsidies would be an increase in the coal price of 3.1% p.a., which is only slightly above the inflation rate and seems to be realistic against the background of rising oil prices and increased scarcity of natural resources. (orig.)
A hybrid radial basis function-pseudospectral method for thermal convection in a 3-D spherical shell
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 × 10^{3} and 10^{5}. Results from a Ra = 10^{6} 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.
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.
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.
Energy Technology Data Exchange (ETDEWEB)
Alfaraj, Nasir; Hussain, Aftab M.; Torres Sevilla, Galo A.; Ghoneim, Mohamed T.; Rojas, Jhonathan P.; Hussain, Muhammad M., E-mail: MuhammadMustafa.Hussain@kaust.edu.sa [Integrated Nanotechnology Laboratory, Computer, Electrical and Mathematical Sciences and Engineering Division, King Abdullah University of Science and Technology, Thuwal 23955-6900 (Saudi Arabia); Aljedaani, Abdulrahman B. [High-Speed Fluids Imaging Laboratory, Physical Sciences and Engineering Division, King Abdullah University of Science and Technology, Thuwal 23955-6900 (Saudi Arabia)
2015-10-26
Flexibility can bring a new dimension to state-of-the-art electronics, such as rollable displays and integrated circuit systems being transformed into more powerful resources. Flexible electronics are typically hosted on polymeric substrates. Such substrates can be bent and rolled up, but cannot be independently fixed at the rigid perpendicular position necessary to realize rollable display-integrated gadgets and electronics. A reversibly bistable material can assume two stable states in a reversible way: flexibly rolled state and independently unbent state. Such materials are used in cycling and biking safety wristbands and a variety of ankle bracelets for orthopedic healthcare. They are often wrapped around an object with high impulsive force loading. Here, we study the effects of cumulative impulsive force loading on thinned (25 μm) flexible silicon-based n-channel metal–oxide–semiconductor field-effect transistor devices housed on a reversibly bistable flexible platform. We found that the transistors have maintained their high performance level up to an accumulated 180 kN of impact force loading. The gate dielectric layers have maintained their reliability, which is evidenced by the low leakage current densities. Also, we observed low variation in the effective electron mobility values, which manifests that the device channels have maintained their carrier transport properties.
International Nuclear Information System (INIS)
Alfaraj, Nasir; Hussain, Aftab M.; Torres Sevilla, Galo A.; Ghoneim, Mohamed T.; Rojas, Jhonathan P.; Hussain, Muhammad M.; Aljedaani, Abdulrahman B.
2015-01-01
Flexibility can bring a new dimension to state-of-the-art electronics, such as rollable displays and integrated circuit systems being transformed into more powerful resources. Flexible electronics are typically hosted on polymeric substrates. Such substrates can be bent and rolled up, but cannot be independently fixed at the rigid perpendicular position necessary to realize rollable display-integrated gadgets and electronics. A reversibly bistable material can assume two stable states in a reversible way: flexibly rolled state and independently unbent state. Such materials are used in cycling and biking safety wristbands and a variety of ankle bracelets for orthopedic healthcare. They are often wrapped around an object with high impulsive force loading. Here, we study the effects of cumulative impulsive force loading on thinned (25 μm) flexible silicon-based n-channel metal–oxide–semiconductor field-effect transistor devices housed on a reversibly bistable flexible platform. We found that the transistors have maintained their high performance level up to an accumulated 180 kN of impact force loading. The gate dielectric layers have maintained their reliability, which is evidenced by the low leakage current densities. Also, we observed low variation in the effective electron mobility values, which manifests that the device channels have maintained their carrier transport properties
Costa, Alberto; Peppe, Antonella; Mazzù, Ilenia; Longarzo, Mariachiara; Caltagirone, Carlo; Carlesimo, Giovanni A
2014-01-01
Previous data suggest that (i) dopamine modulates the ability to implement nonroutine schemata and update operations (flexibility processes) and that (ii) dopamine-related improvement may be related to baseline dopamine levels in target pathways (inverted U-shaped hypothesis). To investigate above hypotheses in individuals with Parkinson's disease (PD). Twenty PD patients were administered tasks varying as to flexibility load in two treatment conditions: (i) "off" condition, about 18 hours after dopamine dose and (ii) "on" condition, after dopamine administration. PD patients were separated into two groups: low performers (i.e., performance on Digit Span Backward below the sample mean) and high performers (i.e., performance above the mean). Twenty healthy individuals performed the tasks in two sessions without taking drugs. Passing from the "off" to the "on" state, only low performer PD patients significantly improved their performance on high-flexibility measures (interference condition of the Stroop test; P flexibility tasks. These findings document that high-flexibility processes are sensitive to dopamine neuromodulation in the early phases of PD. This is in line with the hypothesis that striatal dopamine pathways, affected early by PD, are precociously implicated in the expression of cognitive disorders in these individuals.
Alfaraj, Nasir; Hussain, Aftab M.; Torres Sevilla, Galo A.; Ghoneim, Mohamed T.; Rojas, Jhonathan Prieto; Aljedaani, Abdulrahman B.; Hussain, Muhammad Mustafa
2015-01-01
Flexibility can bring a new dimension to state-of-the-art electronics, such as rollable displays and integrated circuit systems being transformed into more powerful resources. Flexible electronics are typically hosted on polymeric substrates. Such substrates can be bent and rolled up, but cannot be independently fixed at the rigid perpendicular position necessary to realize rollable display-integrated gadgets and electronics. A reversibly bistable material can assume two stable states in a reversible way: flexibly rolled state and independently unbent state. Such materials are used in cycling and biking safety wristbands and a variety of ankle bracelets for orthopedic healthcare. They are often wrapped around an object with high impulsive force loading. Here, we study the effects of cumulative impulsive force loading on thinned (25 μm) flexible silicon-based n-channel metal–oxide–semiconductor field-effect transistor devices housed on a reversibly bistable flexible platform. We found that the transistors have maintained their high performance level up to an accumulated 180 kN of impact force loading. The gate dielectric layers have maintained their reliability, which is evidenced by the low leakage current densities. Also, we observed low variation in the effective electron mobility values, which manifests that the device channels have maintained their carrier transport properties.
Alfaraj, Nasir; Hussain, Aftab M.; Torres Sevilla, Galo A.; Ghoneim, Mohamed T.; Rojas, Jhonathan P.; Aljedaani, Abdulrahman B.; Hussain, Muhammad M.
2015-10-01
Flexibility can bring a new dimension to state-of-the-art electronics, such as rollable displays and integrated circuit systems being transformed into more powerful resources. Flexible electronics are typically hosted on polymeric substrates. Such substrates can be bent and rolled up, but cannot be independently fixed at the rigid perpendicular position necessary to realize rollable display-integrated gadgets and electronics. A reversibly bistable material can assume two stable states in a reversible way: flexibly rolled state and independently unbent state. Such materials are used in cycling and biking safety wristbands and a variety of ankle bracelets for orthopedic healthcare. They are often wrapped around an object with high impulsive force loading. Here, we study the effects of cumulative impulsive force loading on thinned (25 μm) flexible silicon-based n-channel metal-oxide-semiconductor field-effect transistor devices housed on a reversibly bistable flexible platform. We found that the transistors have maintained their high performance level up to an accumulated 180 kN of impact force loading. The gate dielectric layers have maintained their reliability, which is evidenced by the low leakage current densities. Also, we observed low variation in the effective electron mobility values, which manifests that the device channels have maintained their carrier transport properties.
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.
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
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.
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
De Jong, P.; Schaap, A.
2011-01-01
New buildings are designed for first users. For a sustainable approach there are many advantages in designing in flexibility and adjustability in order to enable and facilitate the other sequential users. For the first investor this flexibility is translated into improved exit values due to
Ströberg, P; Kaminetsky, J C; Park, N C; Goldfischer, E R; Creanga, D L; Stecher, V J
2010-01-01
The prescribing information for sildenafil citrate (VIAGRA, Pfizer, New York, NY, USA) recommends flexible dosing (50 mg initially, adjusted to 100 or 25 mg based on effectiveness and tolerability) in most men with erectile dysfunction (ED). In many men, however, 100 mg may be the most appropriate initial dose because it would reduce the need for titration and could prevent discouragement and treatment abandonment should 50 mg be insufficient. Results of two previously published double-blind, placebo-controlled sildenafil trials of similar design except for a fixed-dose vs flexible-dose regimen were analyzed. Relative to the flexible-dose, approximately one-third more men were satisfied with an initial and fixed dose of 100 mg. In addition, tolerability was similar, and improvements from baseline in outcomes on validated, ED-specific, patient-reported questionnaires were either similar (erectile function and the percentage of completely hard and fully rigid erections) or greater (emotional well-being and the overall sexual experience). The similarity in outcomes is not surprising given that almost 90% of the men in the flexible-dose trial titrated to 100 mg after 2 weeks. These data suggest prescription of an initial dose of 100 mg for men with ED, except in those for whom it is inappropriate. PMID:20596083
Ströberg, P; Kaminetsky, J C; Park, N C; Goldfischer, E R; Creanga, D L; Stecher, V J
2010-01-01
The prescribing information for sildenafil citrate (VIAGRA, Pfizer, New York, NY, USA) recommends flexible dosing (50 mg initially, adjusted to 100 or 25 mg based on effectiveness and tolerability) in most men with erectile dysfunction (ED). In many men, however, 100 mg may be the most appropriate initial dose because it would reduce the need for titration and could prevent discouragement and treatment abandonment should 50 mg be insufficient. Results of two previously published double-blind, placebo-controlled sildenafil trials of similar design except for a fixed-dose vs flexible-dose regimen were analyzed. Relative to the flexible-dose, approximately one-third more men were satisfied with an initial and fixed dose of 100 mg. In addition, tolerability was similar, and improvements from baseline in outcomes on validated, ED-specific, patient-reported questionnaires were either similar (erectile function and the percentage of completely hard and fully rigid erections) or greater (emotional well-being and the overall sexual experience). The similarity in outcomes is not surprising given that almost 90% of the men in the flexible-dose trial titrated to 100 mg after 2 weeks. These data suggest prescription of an initial dose of 100 mg for men with ED, except in those for whom it is inappropriate.
Sun, Yimin; Fang, Zheng; Wang, Chenxu; Ariyawansha, K R Rakhitha Malinga; Zhou, Aijun; Duan, Hongwei
2015-05-07
A sandwich-structured flexible supercapacitor electrode has been developed based on MnO2 nanonest (MNN) modified ionic liquid (IL) functionalized graphene paper (GP), which is fabricated by functionalizing graphene nanosheets with an amine-terminated IL (i.e., 1-(3-aminopropyl)-3-methylimidazolium bromide) to form freestanding IL functionalized GP (IL-GP), and then modifying IL-GP with a unique MNN structure via controllable template-free ultrasonic electrodeposition. The as-obtained MNN modified IL-GP (MNN/IL-GP) inherits the excellent pseudocapacity of the metal oxide, the high conductivity and electric double layer charging/discharging of IL-graphene composites, and therefore shows an enhanced supercapacitor performance. The maximum specific capacitance of 411 F g(-1) can be achieved by chronopotentiometry at a current density of 1 A g(-1). Meanwhile, the MNN/IL-GP electrode exhibits excellent rate capability and cycling stability, its specific capacitance is maintained at 70% as the current densities increase from 1 to 20 A g(-1) and 85% at a current density of 10 A g(-1) after 10 000 cycles. More importantly, the MNN/IL-GP displays distinguished mechanical stability and flexibility for device packaging, although its thickness is merely 8 μm. These features collectively demonstrate the potential of MNN/IL-GP as a high-performance paper electrode for flexible and lightweight and highly efficient electrochemical capacitor applications.
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
Napolitano, Luisa Maria Rosaria; Bisha, Ina; De March, Matteo; Marchesi, Arin; Arcangeletti, Manuel; Demitri, Nicola; Mazzolini, Monica; Rodriguez, Alex; Magistrato, Alessandra; Onesti, Silvia; Laio, Alessandro; Torre, Vincent
2015-07-07
Cyclic nucleotide-gated (CNG) ion channels, despite a significant homology with the highly selective K(+) channels, do not discriminate among monovalent alkali cations and are permeable also to several organic cations. We combined electrophysiology, molecular dynamics (MD) simulations, and X-ray crystallography to demonstrate that the pore of CNG channels is highly flexible. When a CNG mimic is crystallized in the presence of a variety of monovalent cations, including Na(+), Cs(+), and dimethylammonium (DMA(+)), the side chain of Glu66 in the selectivity filter shows multiple conformations and the diameter of the pore changes significantly. MD simulations indicate that Glu66 and the prolines in the outer vestibule undergo large fluctuations, which are modulated by the ionic species and the voltage. This flexibility underlies the coupling between gating and permeation and the poor ionic selectivity of CNG channels.
DEFF Research Database (Denmark)
Mertens, Haydyn D.T.; Kjærgaard, Magnus; Mysling, Simon
2012-01-01
-deuterium exchange, and surface plasmon resonance to develop a structural model describing the allosteric regulation of uPAR. We show that the flexibility of its N-terminal domain provides the key for understanding this allosteric mechanism. Importantly, our model has direct implications for understanding uPAR-assisted...... cell adhesion and migration as well as for translational research including targeted intervention therapy and non-invasive tumor imaging in vivo....
Sun, Yimin; Zheng, Huaming; Wang, Chenxu; Yang, Mengmeng; Zhou, Aijun; Duan, Hongwei
2016-01-01
Here we fabricate a new type of flexible and versatile nanohybrid paper electrode by ultrasonic-electrodeposition of PtPd alloy nanoparticles on freestanding ionic liquid (IL)-functionalized graphene paper, and explore its multifunctional applications in electrochemical catalysis and sensing systems. The graphene-based paper materials demonstrate intrinsic flexibility, exceptional mechanical strength and high electrical conductivity, and therefore can serve as an ideal freestanding flexible electrode for electrochemical devices. Furthermore, the functionalization of graphene with IL (i.e., 1-butyl-3-methylimidazolium tetrafluoroborate) not only increases the electroactive surface area of a graphene-based nanohybrid paper electrode, but also improves the adhesion and dispersion of metal nanoparticles on the paper surface. These unique attributes, combined with the merits of an ultrasonic-electrodeposition method, lead to the formation of PtPd alloy nanoparticles on IL-graphene paper with high loading, uniform distribution, controlled morphology and favourable size. Consequently, the resultant nanohybrid paper electrode exhibits remarkable catalytic activity as well as excellent cycle stability and improved anti-poisoning ability towards electrooxidation of fuel molecules such as methanol and ethanol. Furthermore, for nonenzymatic electrochemical sensing of some specific biomarkers such as glucose and reactive oxygen species, the nanohybrid paper electrode shows high selectivity, sensitivity and biocompatibility in these bio-catalytic processes, and can be used for real-time tracking hydrogen peroxide secretion by living human cells. All these features demonstrate its promising application as a versatile nanohybrid electrode material in flexible and lightweight electrochemical energy conversion and biosensing systems such as bendable on-chip power sources, wearable/implantable detectors and in vivo micro-biosensors.Here we fabricate a new type of flexible and
Henke, Sebastian; Schneemann, Andreas; Wütscher, Annika; Fischer, Roland A
2012-06-06
Flexible metal-organic frameworks (MOFs), also referred to as soft porous crystals (SPCs), show reversible structural transitions dependent on the nature and quantity of adsorbed guest molecules. In recent studies it has been reported that covalent functionalization of the organic linker can influence or even integrate framework flexibility ("breathing") in MOFs. However, rational fine-tuning of such responsive properties is very desirable but challenging as well. Here we present a powerful approach for the targeted manipulation of responsiveness and framework flexibility of an important family of pillared-layered MOFs based on the parent structure [Zn(2)(bdc)(2)(dabco)](n) (bdc = 1,4-benzenedicarboxylate; dabco = 1,4-diazabicyclo[2.2.2]octane). A library of functionalized bdc-type linkers (fu-bdc), which bear additional dangling side groups at different positions of the benzene core (alkoxy groups of varying chain length with diverse functionalities and polarity), was generated. Synthesis of the materials [Zn(2)(fu-bdc)(2)(dabco)](n) yields the respective collection of highly responsive MOFs. The parent MOF is only weakly flexible; however, the substituted frameworks of [Zn(2)(fu-bdc)(2)(dabco)](n) contract drastically upon guest removal and expand again upon adsorption of DMF (N,N-dimethylformamide), EtOH, or CO(2), etc., while N(2) is hardly adsorbed and does not open the narrow-pored form. These "breathing" dynamics are attributed to the dangling side chains that act as immobilized "guests", which interact with mobile guest molecules as well as with themselves and with the framework backbone. The structural details of the guest-free, contracted form and the gas sorption behavior (phase transition pressure, hysteresis loop) are highly dependent on the nature of the substituent at the linker and can therefore be adjusted using our approach. Combining our library of functionalized linkers with the concept of mixed-component MOFs (solid solutions) offers very rich
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.
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.
Tai, Yanlong
2015-12-08
Flexible transparent conductive films (FTCFs) as the essential components of the next generation of functional circuits and devices are presently attracting more attention. Here, a new strategy has been demonstrated to fabricate thickness-controllable FTCFs through coffee ring lithography (CRL) of single-wall carbon nanotube (SWCNT)/poly(3,4-ethylenedioxythiophene)-polystyrenesulfonate (PEDOT:PSS) hybrid ink. The influence of ink concentration and volume on the thickness and size of hybrid film has been investigated systematically. Results show that the final FTCFs present a high performance, including a homogeneous thickness of 60-65 nm, a sheet resistance of 1.8 kohm/sq, a visible/infrared-range transmittance (79%, PET = 90%), and a dynamic mechanical property (>1000 cycle, much better than ITO film), respectively, when SWCNT concentration is 0.2 mg/mL, ink volume is 0.4 μL, drying at room temperature. Moreover, the benefits of these kinds of FTCFs have been verified through a full transparent, flexible noncontact sensing panel (3 × 4 sensing pixels) and a flexible battery-free wireless sensor based on a humidity sensing mechanism, showing excellent human/machine interaction with high sensitivity, good stability, and fast response/recovery ability. © 2015 American Chemical Society.
Tai, Yanlong; Yang, Zhen Guo
2015-01-01
Flexible transparent conductive films (FTCFs) as the essential components of the next generation of functional circuits and devices are presently attracting more attention. Here, a new strategy has been demonstrated to fabricate thickness-controllable FTCFs through coffee ring lithography (CRL) of single-wall carbon nanotube (SWCNT)/poly(3,4-ethylenedioxythiophene)-polystyrenesulfonate (PEDOT:PSS) hybrid ink. The influence of ink concentration and volume on the thickness and size of hybrid film has been investigated systematically. Results show that the final FTCFs present a high performance, including a homogeneous thickness of 60-65 nm, a sheet resistance of 1.8 kohm/sq, a visible/infrared-range transmittance (79%, PET = 90%), and a dynamic mechanical property (>1000 cycle, much better than ITO film), respectively, when SWCNT concentration is 0.2 mg/mL, ink volume is 0.4 μL, drying at room temperature. Moreover, the benefits of these kinds of FTCFs have been verified through a full transparent, flexible noncontact sensing panel (3 × 4 sensing pixels) and a flexible battery-free wireless sensor based on a humidity sensing mechanism, showing excellent human/machine interaction with high sensitivity, good stability, and fast response/recovery ability. © 2015 American Chemical Society.
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...
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.
Lee, Chi-Yuan; Chan, Pin-Cheng; Lee, Chung-Ju
2010-01-01
Temperature, voltage and fuel flow distribution all contribute considerably to fuel cell performance. Conventional methods cannot accurately determine parameter changes inside a fuel cell. This investigation developed flexible and multi-functional micro sensors on a 40 μm-thick stainless steel foil substrate by using micro-electro-mechanical systems (MEMS) and embedded them in a proton exchange membrane fuel cell (PEMFC) to measure the temperature, voltage and flow. Users can monitor and control in situ the temperature, voltage and fuel flow distribution in the cell. Thereby, both fuel cell performance and lifetime can be increased.
Two-body Schrödinger wave functions in a plane-wave basis via separation of dimensions
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.
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.
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.
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.
Scordato, C; Harris, J
1990-01-01
Whether your organization is in a growth pattern or downsizing, you are probably facing change. To gain some insight into your options, here is an in-depth look at the problems and benefits of some flexible work arrangements from a just published study by Catalyst.
Delsen, L.W.M.; Bauer, F.; Groß, H.; Sieglen, G.
2002-01-01
The chapter deals with the presupposed conflict of interests between employers and employees resulting from a decoupling of operating hours and working times. It starts from the notion that both long operating hours and flexibility are relative concepts. As there is some discretion, the ultimate
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.
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
Meex, Ruth C R; Schrauwen-Hinderling, Vera B; Moonen-Kornips, Esther; Schaart, Gert; Mensink, Marco; Phielix, Esther; van de Weijer, Tineke; Sels, Jean-Pierre; Schrauwen, Patrick; Hesselink, Matthijs K C
2010-03-01
Mitochondrial dysfunction and fat accumulation in skeletal muscle (increased intramyocellular lipid [IMCL]) have been linked to development of type 2 diabetes. We examined whether exercise training could restore mitochondrial function and insulin sensitivity in patients with type 2 diabetes. Eighteen male type 2 diabetic and 20 healthy male control subjects of comparable body weight, BMI, age, and VO2max participated in a 12-week combined progressive training program (three times per week and 45 min per session). In vivo mitochondrial function (assessed via magnetic resonance spectroscopy), insulin sensitivity (clamp), metabolic flexibility (indirect calorimetry), and IMCL content (histochemically) were measured before and after training. Mitochondrial function was lower in type 2 diabetic compared with control subjects (P = 0.03), improved by training in control subjects (28% increase; P = 0.02), and restored to control values in type 2 diabetic subjects (48% increase; P type 2 diabetic subjects (delta Rd 63% increase; P type 2 diabetic subjects was restored (delta respiratory exchange ratio 63% increase; P = 0.01) but was unchanged in control subjects (delta respiratory exchange ratio 7% increase; P = 0.22). Starting with comparable pretraining IMCL levels, training tended to increase IMCL content in type 2 diabetic subjects (27% increase; P = 0.10), especially in type 2 muscle fibers. Exercise training restored in vivo mitochondrial function in type 2 diabetic subjects. Insulin-mediated glucose disposal and metabolic flexibility improved in type 2 diabetic subjects in the face of near-significantly increased IMCL content. This indicates that increased capacity to store IMCL and restoration of improved mitochondrial function contribute to improved muscle insulin sensitivity.
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.
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.
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.
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
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.
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
Directory of Open Access Journals (Sweden)
Martyn Jansen
2012-07-01
Full Text Available The case is presented for a more flexible approach to licensing online library resources. Today's distributed education environment creates pressure for UK higher and further education institutions (HEI/FEIs to form partnerships and to develop educational products and roll them out across the globe. Online library resources are a key component of distributed education and yet existing licensing agreements struggle to keep pace with the increasing range of users and purposes for which they are required. This article describes the process of developing a flexible approach to licensing and proposes a new model licence for online library resources which has the adaptability needed in this new global educational landscape. These ideas have been presented and discussed at various workshops across Eduserv's and JISC Collections' higher education and publisher communities, and further consultation is ongoing.
International Nuclear Information System (INIS)
Kusaka, Yasuyuki; Ushijima, Hirobumi; Sugihara, Kazuyoshi; Koutake, Masayoshi
2014-01-01
We achieved a reduction in the misregistration of overlying patterns printed on a flexible plastic film and a drastically shorter processing time with fully printed thin-film transistor (TFT) fabrication. This was achieved using a newly developed wet-on-wet (WoW) printing process wherein a subsequent layer can be printed on a previous semi-dried (not-sintered) layer. In the WoW process, as examined by rheological measurements, a semi-dried (highly solidified) state of ink was attained before transferring by utilizing the solvent uptake of a PDMS blanket in offset printing to ensure the structural integrity of the ink layer, and to reduce the inter-contamination of adjoining layers. Loss-on-drying tests and resistivity measurements indicated that molecular penetration at the boundary of adjoining layers with a length of c.a. 70 nm occurred in the WoW process; however, with thicker electrodes, we successfully fabricated a WoW-processed TFT whose performance was comparable with a TFT formed by a conventional printing process. (paper)
Kusaka, Yasuyuki; Sugihara, Kazuyoshi; Koutake, Masayoshi; Ushijima, Hirobumi
2014-03-01
We achieved a reduction in the misregistration of overlying patterns printed on a flexible plastic film and a drastically shorter processing time with fully printed thin-film transistor (TFT) fabrication. This was achieved using a newly developed wet-on-wet (WoW) printing process wherein a subsequent layer can be printed on a previous semi-dried (not-sintered) layer. In the WoW process, as examined by rheological measurements, a semi-dried (highly solidified) state of ink was attained before transferring by utilizing the solvent uptake of a PDMS blanket in offset printing to ensure the structural integrity of the ink layer, and to reduce the inter-contamination of adjoining layers. Loss-on-drying tests and resistivity measurements indicated that molecular penetration at the boundary of adjoining layers with a length of c.a. 70 nm occurred in the WoW process; however, with thicker electrodes, we successfully fabricated a WoW-processed TFT whose performance was comparable with a TFT formed by a conventional printing process.
Considering a non-polynomial basis for local kernel regression problem
Silalahi, Divo Dharma; Midi, Habshah
2017-01-01
A common used as solution for local kernel nonparametric regression problem is given using polynomial regression. In this study, we demonstrated the estimator and properties using maximum likelihood estimator for a non-polynomial basis such B-spline to replacing the polynomial basis. This estimator allows for flexibility in the selection of a bandwidth and a knot. The best estimator was selected by finding an optimal bandwidth and knot through minimizing the famous generalized validation function.
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.
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.
The overlapped radial basis function-finite difference (RBF-FD) method: A generalization of RBF-FD
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.
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.
The advantage of flexible neuronal tunings in neural network models for motor learning
Marongelli, Ellisha N.; Thoroughman, Kurt A.
2013-01-01
Human motor adaptation to novel environments is often modeled by a basis function network that transforms desired movement properties into estimated forces. This network employs a layer of nodes that have fixed broad tunings that generalize across the input domain. Learning is achieved by updating the weights of these nodes in response to training experience. This conventional model is unable to account for rapid flexibility observed in human spatial generalization during motor adaptation. However, added plasticity in the widths of the basis function tunings can achieve this flexibility, and several neurophysiological experiments have revealed flexibility in tunings of sensorimotor neurons. We found a model, Locally Weighted Projection Regression (LWPR), which uniquely possesses the structure of a basis function network in which both the weights and tuning widths of the nodes are updated incrementally during adaptation. We presented this LWPR model with training functions of different spatial complexities and monitored incremental updates to receptive field widths. An inverse pattern of dependence of receptive field adaptation on experienced error became evident, underlying both a relationship between generalization and complexity, and a unique behavior in which generalization always narrows after a sudden switch in environmental complexity. These results implicate a model that is flexible in both basis function widths and weights, like LWPR, as a viable alternative model for human motor adaptation that can account for previously observed plasticity in spatial generalization. This theory can be tested by using the behaviors observed in our experiments as novel hypotheses in human studies. PMID:23888141
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.
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
Choi, Bong Gill; Huh, Yun Suk; Hong, Won Hi; Erickson, David; Park, Ho Seok
2013-04-01
Hierarchical structures of hybrid materials with the controlled compositions have been shown to offer a breakthrough for energy storage and conversion. Here, we report the integrative assembly of chemically modified graphene (CMG) building blocks into hierarchical complex structures with the hybrid composition for high performance flexible pseudocapacitors. The formation mechanism of hierarchical CMG/Nafion/RuO2 (CMGNR) microspheres, which is triggered by the cooperative interplay during the in situ synthesis of RuO2 nanoparticles (NPs), was extensively investigated. In particular, the hierarchical CMGNR microspheres consisting of the aggregates of CMG/Nafion (CMGN) nanosheets and RuO2 NPs provided large surface area and facile ion accessibility to storage sites, while the interconnected nanosheets offered continuous electron pathways and mechanical integrity. The synergistic effect of CMGNR hybrids on the supercapacitor (SC) performance was derived from the hybrid composition of pseudocapacitive RuO2 NPs with the conductive CMGNs as well as from structural features. Consequently, the CMGNR-SCs showed a specific capacitance as high as 160 F g-1, three-fold higher than that of conventional graphene SCs, and a capacitance retention of >95% of the maximum value even after severe bending and 1000 charge-discharge tests due to the structural and compositional features.Hierarchical structures of hybrid materials with the controlled compositions have been shown to offer a breakthrough for energy storage and conversion. Here, we report the integrative assembly of chemically modified graphene (CMG) building blocks into hierarchical complex structures with the hybrid composition for high performance flexible pseudocapacitors. The formation mechanism of hierarchical CMG/Nafion/RuO2 (CMGNR) microspheres, which is triggered by the cooperative interplay during the in situ synthesis of RuO2 nanoparticles (NPs), was extensively investigated. In particular, the hierarchical CMGNR
Energy Technology Data Exchange (ETDEWEB)
Brogaard Kristensen, S.
2000-06-01
This report describes the work done on modelling and simulation of the complex diffusion of gas through the wall of a flexible pipe. The diffusion and thus the pressure in annulus depends strongly on the diffusion and solubility parameters of the gas-polymer system and on the degree of blocking of the outer surface of the inner liner due to pressure reinforcements. The report evaluates the basis modelling required to describe the complex geometries and flow patterns. Qualitatively results of temperature and concentration profiles are shown in the report. For the program to serve any modelling purpose in 'real life' the results need to be validated and possibly the model needs corrections. Hopefully, a full-scale test of a flexible pipe will provide the required temperatures and pressures in annulus to validate the models. (EHS)
Energy Technology Data Exchange (ETDEWEB)
Brogaard Kristensen, S
2000-06-01
This report describes the work done on modelling and simulation of the complex diffusion of gas through the wall of a flexible pipe. The diffusion and thus the pressure in annulus depends strongly on the diffusion and solubility parameters of the gas-polymer system and on the degree of blocking of the outer surface of the inner liner due to pressure reinforcements. The report evaluates the basis modelling required to describe the complex geometries and flow patterns. Qualitatively results of temperature and concentration profiles are shown in the report. For the program to serve any modelling purpose in 'real life' the results need to be validated and possibly the model needs corrections. Hopefully, a full-scale test of a flexible pipe will provide the required temperatures and pressures in annulus to validate the models. (EHS)
Flexible transparent electrode
Demiryont, Hulya; Shannon, Kenneth C., III; Moorehead, David; Bratcher, Matthew
2011-06-01
This paper presents the properties of the EclipseTECTM transparent conductor. EclipseTECTM is a room temperature deposited nanostructured thin film coating system comprised of metal-oxide semiconductor elements. The system possesses metal-like conductivity and glass-like transparency in the visible region. These highly conductive TEC films exhibit high shielding efficiency (35dB at 1 to 100GHz). EclipseTECTM can be deposited on rigid or flexible substrates. For example, EclipseTECTM deposited on polyethylene terephthalate (PET) is extremely flexible that can be rolled around a 9mm diameter cylinder with little or no reduction in electrical conductivity and that can assume pre-extension states after an applied stress is relieved. The TEC is colorless and has been tailored to have high visible transmittance which matches the eye sensitivity curve and allows the viewing of true background colors through the coating. EclipseTECTM is flexible, durable and can be tailored at the interface for applications such as electron- or hole-injecting OLED electrodes as well as electrodes in flexible displays. Tunable work function and optical design flexibility also make EclipseTECTM well-suited as a candidate for grid electrode replacement in next-generation photovoltaic cells.
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.
Directory of Open Access Journals (Sweden)
Schomburg D
2010-12-01
Full Text Available Abstract Background Models for the simulation of metabolic networks require the accurate prediction of enzyme function. Based on a genomic sequence, enzymatic functions of gene products are today mainly predicted by sequence database searching and operon analysis. Other methods can support these techniques: We have developed an automatic method "BrEPS" that creates highly specific sequence patterns for the functional annotation of enzymes. Results The enzymes in the UniprotKB are identified and their sequences compared against each other with BLAST. The enzymes are then clustered into a number of trees, where each tree node is associated with a set of EC-numbers. The enzyme sequences in the tree nodes are aligned with ClustalW. The conserved columns of the resulting multiple alignments are used to construct sequence patterns. In the last step, we verify the quality of the patterns by computing their specificity. Patterns with low specificity are omitted and recomputed further down in the tree. The final high-quality patterns can be used for functional annotation. We ran our protocol on a recent Swiss-Prot release and show statistics, as well as a comparison to PRIAM, a probabilistic method that is also specialized on the functional annotation of enzymes. We determine the amount of true positive annotations for five common microorganisms with data from BRENDA and AMENDA serving as standard of truth. BrEPS is almost on par with PRIAM, a fact which we discuss in the context of five manually investigated cases. Conclusions Our protocol computes highly specific sequence patterns that can be used to support the functional annotation of enzymes. The main advantages of our method are that it is automatic and unsupervised, and quite fast once the patterns are evaluated. The results show that BrEPS can be a valuable addition to the reconstruction of metabolic networks.
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.
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.
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.
DEFF Research Database (Denmark)
Holm Jacobsen, Peter; Pallesen, Trine
This report presents the first findings from our qualitative study of consumer behaviour vis-à-vis flexible consumption. The main of objective of this report is to present our first round of data from Bornholm, and to assist the design of products/services designed in WP6. In the report, we adopt...... the perspective of the consumer: what does living in a demand response setup look like to participants – and what kinds of behaviour and interest motivate – and emerge from – their participation in EcoGrid 2.0....
DEFF Research Database (Denmark)
Approaching “work” as at heart a practice of exchange, this volume explores sociality in work environments marked by the kind of structural changes that have come to define contemporary “flexible” capitalism. It introduces anthropological exchange theory to a wider readership, and shows how...... the perspective offers new ways to enquire about the flexible capitalism’s social dimensions. The essays contribute to a trans-disciplinary scholarship on contemporary economic practice and change by documenting how, across diverse settings, “gift-like” socialities proliferate, and even sustain the intensified...
Teyhen, Deydre S; Riebel, Mark A; McArthur, Derrick R; Savini, Matthew; Jones, Mackenzie J; Goffar, Stephen L; Kiesel, Kyle B; Plisky, Phillip J
2014-04-01
Determine the influence of age and sex and describe normative data on field expedient tests associated with power, balance, trunk stability, mobility, and functional movement in a military population. Participants (n = 247) completed a series of clinical and functional tests, including closed-chain ankle dorsiflexion (DF), Functional Movement Screen (FMS), Y-Balance Test Lower Quarter (YBT-LQ), Y-Balance Test Upper Quarter (YBT-UQ), single leg vertical jump (SLVJ), 6-m timed hop (6-m timed), and triple hop. Descriptive statistics were calculated. Analysis of variance tests were performed to compare the results based on sex and age (30 years). Service members demonstrated DF of 34.2 ± 6.1°, FMS composite score of 16.2 ± 2.2, YBT-LQ normalized composite score of 96.9 ± 8.6%, YBT-UQ normalized composite score of 87.6 ± 9.6%, SLVJ of 26.9 ± 8.6 cm, 6-m hop of 2.4 ± 0.5 seconds, and a triple hop of 390.9 ± 110.8 cm. Men performed greater than women (p power, balance, and trunk stability tests, whereas younger individuals performed better on power, balance, mobility, and functional movement. Reprint & Copyright © 2014 Association of Military Surgeons of the U.S.
Directory of Open Access Journals (Sweden)
Waheed Khan
2018-03-01
Full Text Available We report the first results of functional properties of nitrogenized silver-permalloy thin films deposited on polyethylene terephthalic ester {PETE (C10H8O4n} flexible substrates by magnetron sputtering. These new soft magnetic thin films have magnetization that is comparable to pure Ni81Fe19 permalloy films. Two target compositions (Ni76Fe19Ag5 and Ni72Fe18Ag10 were used to study the effect of compositional variation and sputtering parameters, including nitrogen flow rate on the phase evolution and surface properties. Aggregate flow rate and total pressure of Ar+N2 mixture was 60 sccm and 0.55 Pa, respectively. The distance between target and the substrate was kept at 100 mm, while using sputtering power from 100–130 W. Average film deposition rate was confirmed at around 2.05 nm/min for argon atmosphere and was reduced to 1.8 nm/min in reactive nitrogen atmosphere. X-ray diffraction, X-ray photoelectron spectroscopy, scanning electron microscopy, vibrating sample magnetometer, and contact angle measurements were used to characterize the functional properties. Nano sized character of films was confirmed by XRD and SEM. It is found that the grain size was reduced by the formation of nitride phase, which in turns enhanced the magnetization and lowers the coercivity. Magnetic field coupling efficiency limit was determined from 1.6–2 GHz frequency limit. The results of comparable magnetic performance, lowest magnetic loss, and highest surface free energy, confirming that 15 sccm nitrogen flow rate at 115 W is optimal for producing Ag-doped permalloy flexible thin films having excellent magnetic field coupling efficiency.
International Nuclear Information System (INIS)
Pugno, Nicola M
2008-01-01
In this paper we show that the control of adhesion in highly flexible (a property that could be crucial for smart drug delivery but which is still ignored in the literature) nanovectors can help in smartly targeting and delivering the drug. The existence of and the conditions for activating and controlling a super-adhesive state are addressed. Even if such a state has never been observed in nanovectors, our calculations, as well as observations in spiders and geckos, suggest its existence and feasible control. Control of the competition between the drag and the adhesive force is exploited to improve the targeting ability and a hierarchical model is applied to describe a real vasculature. The high flexibility of the nanovector is used to smartly deliver the drug only during adhesion by nanopumping or, as a limiting case, by the new concept of 'adhesion induced nanovector implosion'; a liquid drop analogy is utilized for the calculations. Fast (pumping) and slow (diffusion) drug deliveries can thus be separately controlled by controlling the size and shape of the nanovector. Multiple stage nanovectors are also briefly discussed, mimicking aerospace vector strategies.
Pugno, Nicola M.
2008-11-01
In this paper we show that the control of adhesion in highly flexible (a property that could be crucial for smart drug delivery but which is still ignored in the literature) nanovectors can help in smartly targeting and delivering the drug. The existence of and the conditions for activating and controlling a super-adhesive state are addressed. Even if such a state has never been observed in nanovectors, our calculations, as well as observations in spiders and geckos, suggest its existence and feasible control. Control of the competition between the drag and the adhesive force is exploited to improve the targeting ability and a hierarchical model is applied to describe a real vasculature. The high flexibility of the nanovector is used to smartly deliver the drug only during adhesion by nanopumping or, as a limiting case, by the new concept of 'adhesion induced nanovector implosion'; a liquid drop analogy is utilized for the calculations. Fast (pumping) and slow (diffusion) drug deliveries can thus be separately controlled by controlling the size and shape of the nanovector. Multiple stage nanovectors are also briefly discussed, mimicking aerospace vector strategies.
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
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.
DEFF Research Database (Denmark)
Cannavacciuolo, L.; Sommer, C.; Pedersen, J.S.
2000-01-01
outlined in the Odijk-Skolnick-Fixman theory, in which the behavior of charged polymers is described only in terms of increasing local rigidity and excluded volume effects. Moreover, the Monte Carlo data are found to be in very good agreement with experimental scattering measurements with equilibrium......We present a systematic Monte Carlo study of the scattering function S(q) of semiflexible polyelectrolytes at infinite dilution, in solutions with different concentrations of added salt. In the spirit of a theoretical description of polyelectrolytes in terms of the equivalent parameters, namely......, persistence length and excluded volume interactions, we used a modified wormlike chain model, in which the monomers are represented by charged hard spheres placed at distance a. The electrostatic interactions are approximated by a Debye-Huckel potential. We show that the scattering function is quantitatively...
Energy Technology Data Exchange (ETDEWEB)
Elskens, Marc [Vrije Universiteit Brussel, Analytical, Pleinlaan 2, BE-1050 Brussels (Belgium); Gourgue, Olivier [Université catholique de Louvain, Institute of Mechanics, Materials and Civil Engineering (IMMC), 4 Avenue G. Lemaître, bte L4.05.02, BE-1348 Louvain-la-Neuve (Belgium); Université catholique de Louvain, Georges Lemaître Centre for Earth and Climate Research (TECLIM), Place Louis Pasteur 2, bte L4.03.08, BE-1348 Louvain-la-Neuve (Belgium); Baeyens, Willy [Vrije Universiteit Brussel, Analytical, Pleinlaan 2, BE-1050 Brussels (Belgium); Chou, Lei [Université Libre de Bruxelles, Biogéochimie et Modélisation du Système Terre (BGéoSys) —Océanographie Chimique et Géochimie des Eaux, Campus de la Plaine —CP 208, Boulevard du Triomphe, BE-1050 Brussels (Belgium); Deleersnijder, Eric [Université catholique de Louvain, Institute of Mechanics, Materials and Civil Engineering (IMMC), 4 Avenue G. Lemaître, bte L4.05.02, BE-1348 Louvain-la-Neuve (Belgium); Université catholique de Louvain, Earth and Life Institute (ELI), Georges Lemaître Centre for Earth and Climate Research (TECLIM), Place Louis Pasteur 2, bte L4.03.08, BE-1348 Louvain-la-Neuve (Belgium); Leermakers, Martine [Vrije Universiteit Brussel, Analytical, Pleinlaan 2, BE-1050 Brussels (Belgium); and others
2014-04-01
Predicting metal concentrations in surface waters is an important step in the understanding and ultimately the assessment of the ecological risk associated with metal contamination. In terms of risk an essential piece of information is the accurate knowledge of the partitioning of the metals between the dissolved and particulate phases, as the former species are generally regarded as the most bioavailable and thus harmful form. As a first step towards the understanding and prediction of metal speciation in the Scheldt Estuary (Belgium, the Netherlands), we carried out a detailed analysis of a historical dataset covering the period 1982–2011. This study reports on the results for two selected metals: Cu and Cd. Data analysis revealed that both the total metal concentration and the metal partitioning coefficient (K{sub d}) could be predicted using relatively simple empirical functions of environmental variables such as salinity and suspended particulate matter concentration (SPM). The validity of these functions has been assessed by their application to salinity and SPM fields simulated by the hydro-environmental model SLIM. The high-resolution total and dissolved metal concentrations reconstructed using this approach, compared surprisingly well with an independent set of validation measurements. These first results from the combined mechanistic-empirical model approach suggest that it may be an interesting tool for risk assessment studies, e.g. to help identify conditions associated with elevated (dissolved) metal concentrations. - Highlights: • Empirical functions were designed for assessing metal speciation in estuarine water. • The empirical functions were implemented in the hydro-environmental model SLIM. • Validation was carried out in the Scheldt Estuary using historical data 1982–2011. • This combined mechanistic-empirical approach is useful for risk assessment.
Nepocatych, Svetlana; Ketcham, Caroline J; Vallabhajosula, Srikant; Balilionis, Gytis
2018-01-01
This study examined the effects of balance training routine, using both sides utilized balance trainer (BOSU) and aerobic step (STEP) on postural sway and functional ability in middle-aged women. Twenty-seven females participated in the study, age 40.6±12.0 years, body mass 72.0±14.0 kg, height 164.0±7.7 cm, BMI 26.5±4.5 kg/m2, and relative body fat 33.1±7.4%. Participants were divided into two groups and performed progressive exercise routine on either STEP or BOSU for three weeks. Pre- and post-test consisted of Postural Sway Test performed on the Biodex Balance System, Functional Ability Test, Sit and Reach Test and Plank. A significant time effect was observed for both groups for sway index(P=0.029) and center of pressure antero-posterior (AP) displacement (P=0.038) but not for sway area or medio-lateral (ML) displacement (P>0.05). In addition, BOSU group had significantly lower Sway Index(P=0.048) and ML range (P=0.035) scores when vision and surface was altered compared to STEP group. A significant time effect was observed in walking-up the stairs (P=0.020), sit and reach test (P=0.035), and plank (Ptraining have a potential to induce adaptive responses in neuromuscular system that enhances postural control, balance and functional ability of women. The training using BOSU may help improve static balance and functional ability in women.
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.)
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
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
FLEXIBILITY OF INDUSTRIAL “PRODUCT-SERVICE” SYSTEM: IMPLEMENTATION AND MEANS OF MEASUREMENT
Directory of Open Access Journals (Sweden)
S. Panteleev
2016-01-01
Full Text Available Article is devoted to the analysis of the flexibility of industrial “product-service” systems (hereafter IPSS, meaning provision of adaptability to the changing needs of users along the life-cycle of IPSS. Flexibility of the system gives company-producer of the industrial equipment competitive advantages on the b-to-b market. Due to this reason development and improvement of the means of valuation of flexibility is an important field of study. Aim of the article is IPSS flexibility analysis and development of efficient means of flexibility valuation.Article tasks. Research the advantages of the IPSS flexibility; analyze problems that arise as the result of flexibility implementation; propose ways to solve these problems.Methodology. Methodological base of the article are the following scientific methods: deduction, comparative and individual analysis, methods of systematization and generalization of theoretical materials.Results. Conclusions / importance. Article proposes to use IPSS concept model that takes into consideration IPSS resources, actions and functions. With the help of this model switching options, that reflect the flexibility of IPSS, can be defi ned. Economic and technological aspects of changes should be taken into consideration with the help of integrated, iterative approach, that compares supplier costs on flexibility implementation and the clients desire to pay for it. At the same time supplier can calculate the potential profi t from provision of fl exibility. Thus, the basis for efficient decision making when the IPSS is structures is made.
Fast and anisotropic flexibility-rigidity index for protein flexibility and fluctuation analysis
Energy Technology Data Exchange (ETDEWEB)
Opron, Kristopher [Department of Biochemistry and Molecular Biology, Michigan State University, Michigan 48824 (United States); Xia, Kelin [Department of Mathematics, Michigan State University, Michigan 48824 (United States); Wei, Guo-Wei, E-mail: wei@math.msu.edu [Department of Biochemistry and Molecular Biology, Michigan State University, Michigan 48824 (United States); Department of Mathematics, Michigan State University, Michigan 48824 (United States); Department of Electrical and Computer Engineering, Michigan State University, Michigan 48824 (United States)
2014-06-21
Protein structural fluctuation, typically measured by Debye-Waller factors, or B-factors, is a manifestation of protein flexibility, which strongly correlates to protein function. The flexibility-rigidity index (FRI) is a newly proposed method for the construction of atomic rigidity functions required in the theory of continuum elasticity with atomic rigidity, which is a new multiscale formalism for describing excessively large biomolecular systems. The FRI method analyzes protein rigidity and flexibility and is capable of predicting protein B-factors without resorting to matrix diagonalization. A fundamental assumption used in the FRI is that protein structures are uniquely determined by various internal and external interactions, while the protein functions, such as stability and flexibility, are solely determined by the structure. As such, one can predict protein flexibility without resorting to the protein interaction Hamiltonian. Consequently, bypassing the matrix diagonalization, the original FRI has a computational complexity of O(N{sup 2}). This work introduces a fast FRI (fFRI) algorithm for the flexibility analysis of large macromolecules. The proposed fFRI further reduces the computational complexity to O(N). Additionally, we propose anisotropic FRI (aFRI) algorithms for the analysis of protein collective dynamics. The aFRI algorithms permit adaptive Hessian matrices, from a completely global 3N × 3N matrix to completely local 3 × 3 matrices. These 3 × 3 matrices, despite being calculated locally, also contain non-local correlation information. Eigenvectors obtained from the proposed aFRI algorithms are able to demonstrate collective motions. Moreover, we investigate the performance of FRI by employing four families of radial basis correlation functions. Both parameter optimized and parameter-free FRI methods are explored. Furthermore, we compare the accuracy and efficiency of FRI with some established approaches to flexibility analysis, namely
Graphene-based materials for flexible supercapacitors.
Shao, Yuanlong; El-Kady, Maher F; Wang, Lisa J; Zhang, Qinghong; Li, Yaogang; Wang, Hongzhi; Mousavi, Mir F; Kaner, Richard B
2015-06-07
The demand for flexible/wearable electronic devices that have aesthetic appeal and multi-functionality has stimulated the rapid development of flexible supercapacitors with enhanced electrochemical performance and mechanical flexibility. After a brief introduction to flexible supercapacitors, we summarize current progress made with graphene-based electrodes. Two recently proposed prototypes for flexible supercapacitors, known as micro-supercapacitors and fiber-type supercapacitors, are then discussed. We also present our perspective on the development of graphene-based electrodes for flexible supercapacitors.
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.
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
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.
López-Vallejo, Fabian; Fragoso-Serrano, Mabel; Suárez-Ortiz, Gloria Alejandra; Hernández-Rojas, Adriana C; Cerda-García-Rojas, Carlos M; Pereda-Miranda, Rogelio
2011-08-05
A protocol for stereochemical analysis, based on the systematic comparison between theoretical and experimental vicinal (1)H-(1)H NMR coupling constants, was developed and applied to a series of flexible compounds (1-8) derived from the 6-heptenyl-5,6-dihydro-2H-pyran-2-one framework. The method included a broad conformational search, followed by geometry optimization at the DFT B3LYP/DGDZVP level, calculation of the vibrational frequencies, thermochemical parameters, magnetic shielding tensors, and the total NMR spin-spin coupling constants. Three scaling factors, depending on the carbon atom hybridizations, were found for the (1)H-C-C-(1)H vicinal coupling constants: f((sp3)-(sp3)) = 0.910, f((sp3)-(sp2)) = 0.929, and f((sp2)-(sp2))= 0.977. A remarkable correlation between the theoretical (J(pre)) and experimental (1)H-(1)H NMR (J(exp)) coupling constants for spicigerolide (1), a cytotoxic natural product, and some of its synthetic stereoisomers (2-4) demonstrated the predictive value of this approach for the stereochemical assignment of highly flexible compounds containing multiple chiral centers. The stereochemistry of two natural 6-heptenyl-5,6-dihydro-2H-pyran-2-ones (14 and 15) containing diverse functional groups in the heptenyl side chain was also analyzed by application of this combined theoretical and experimental approach, confirming its reliability. Additionally, a geometrical analysis for the conformations of 1-8 revealed that weak hydrogen bonds substantially guide the conformational behavior of the tetraacyloxy-6-heptenyl-2H-pyran-2-ones.
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.
Recent Progress on Flexible and Wearable Supercapacitors.
Xue, Qi; Sun, Jinfeng; Huang, Yan; Zhu, Minshen; Pei, Zengxia; Li, Hongfei; Wang, Yukun; Li, Na; Zhang, Haiyan; Zhi, Chunyi
2017-12-01
Recently, wearable electronic devices including electrical sensors, flexible displays, and health monitors have received considerable attention and experienced rapid progress. Wearable supercapacitors attract tremendous attention mainly due to their high stability, low cost, fast charging/discharging, and high efficiency; properties that render them value for developing fully flexible devices. In this Concept, the recent achievements and advances made in flexible and wearable supercapacitors are presented, especially highlighting the promising performances of yarn/fiber-shaped and planar supercapacitors. On the basis of their working mechanism, electrode materials including carbon-based materials, metal oxide-based materials, and conductive polymers with an emphasis on the performance-optimization method are introduced. The latest representative techniques and active materials of recently developed supercapacitors with superior performance are summarized. Furthermore, the designs of 1D and 2D electrodes are discussed according to their electrically conductive supporting materials. Finally, conclusions, challenges, and perspective in optimizing and developing the electrochemical performance and function of wearable supercapacitors for their practical utility are addressed. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Lu, Guo-Wei; Qin, Jun; Wang, Hongxiang; Ji, XuYuefeng; Sharif, Gazi Mohammad; Yamaguchi, Shigeru
2016-02-08
Optical logic gate, especially exclusive-or (XOR) gate, plays important role in accomplishing photonic computing and various network functionalities in future optical networks. On the other hand, optical multicast is another indispensable functionality to efficiently deliver information in optical networks. In this paper, for the first time, we propose and experimentally demonstrate a flexible optical three-input XOR gate scheme for multiple input phase-modulated signals with a 1-to-2 multicast functionality for each XOR operation using four-wave mixing (FWM) effect in single piece of highly-nonlinear fiber (HNLF). Through FWM in HNLF, all of the possible XOR operations among input signals could be simultaneously realized by sharing a single piece of HNLF. By selecting the obtained XOR components using a followed wavelength selective component, the number of XOR gates and the participant light in XOR operations could be flexibly configured. The re-configurability of the proposed XOR gate and the function integration of the optical logic gate and multicast in single device offer the flexibility in network design and improve the network efficiency. We experimentally demonstrate flexible 3-input XOR gate for four 10-Gbaud binary phase-shift keying signals with a multicast scale of 2. Error-free operations for the obtained XOR results are achieved. Potential application of the integrated XOR and multicast function in network coding is also discussed.
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
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.
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
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
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.
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.
The advantage of flexible neuronal tunings in neural network models for motor learning
Directory of Open Access Journals (Sweden)
Ellisha N Marongelli
2013-07-01
Full Text Available Human motor adaptation to novel environments is often modeled by a basis function network that transforms desired movement properties into estimated forces. This network employs a layer of nodes that have fixed broad tunings that generalize across the input domain. Learning is achieved by updating the weights of these nodes in response to training experience. This conventional model is unable to account for rapid flexibility observed in human spatial generalization during motor adaptation. However, added plasticity in the breadths of the basis function tunings can achieve this flexibility, and several neurophysiological experiments have revealed flexibility in tunings of sensorimotor neurons. We found a model, Locally Weighted Projection Regression (LWPR, which uniquely possesses the structure of a basis function network in which both the weights and tuning widths of the nodes are updated incrementally during adaptation. We presented this LWPR model with training functions of different spatial complexities and monitored incremental updates to receptive field sizes. An inverse pattern of dependence of receptive field adaptation on experienced error became evident, underlying both a relationship between generalization and complexity, and a unique behavior in which generalization always narrows after a sudden switch in environmental complexity. These results implicate a model with a flexible structure, like LWPR, as a viable alternative model for human motor adaptation that can account for previously observed plasticity in spatial generalization. This theory can be tested by using the behaviors observed in our experiments as novel hypotheses in human studies.
Efficient computation of smoothing splines via adaptive basis sampling
Ma, Ping
2015-06-24
© 2015 Biometrika Trust. Smoothing splines provide flexible nonparametric regression estimators. However, the high computational cost of smoothing splines for large datasets has hindered their wide application. In this article, we develop a new method, named adaptive basis sampling, for efficient computation of smoothing splines in super-large samples. Except for the univariate case where the Reinsch algorithm is applicable, a smoothing spline for a regression problem with sample size n can be expressed as a linear combination of n basis functions and its computational complexity is generally O(n^{3}). We achieve a more scalable computation in the multivariate case by evaluating the smoothing spline using a smaller set of basis functions, obtained by an adaptive sampling scheme that uses values of the response variable. Our asymptotic analysis shows that smoothing splines computed via adaptive basis sampling converge to the true function at the same rate as full basis smoothing splines. Using simulation studies and a large-scale deep earth core-mantle boundary imaging study, we show that the proposed method outperforms a sampling method that does not use the values of response variables.
Efficient computation of smoothing splines via adaptive basis sampling
Ma, Ping; Huang, Jianhua Z.; Zhang, Nan
2015-01-01
© 2015 Biometrika Trust. Smoothing splines provide flexible nonparametric regression estimators. However, the high computational cost of smoothing splines for large datasets has hindered their wide application. In this article, we develop a new method, named adaptive basis sampling, for efficient computation of smoothing splines in super-large samples. Except for the univariate case where the Reinsch algorithm is applicable, a smoothing spline for a regression problem with sample size n can be expressed as a linear combination of n basis functions and its computational complexity is generally O(n^{3}). We achieve a more scalable computation in the multivariate case by evaluating the smoothing spline using a smaller set of basis functions, obtained by an adaptive sampling scheme that uses values of the response variable. Our asymptotic analysis shows that smoothing splines computed via adaptive basis sampling converge to the true function at the same rate as full basis smoothing splines. Using simulation studies and a large-scale deep earth core-mantle boundary imaging study, we show that the proposed method outperforms a sampling method that does not use the values of response variables.
DEFF Research Database (Denmark)
Kaland, Nils; Smith, Lars; Mortensen, Erik Lykke
2008-01-01
The aim of the present study was to assess mental flexibility and set maintenance of a group of individuals with Asperger syndrome (AS) or high-functioning autism (HFA) (N = 13; mean age 16,4), as compared with a matched group of typically developing children and adolescents (N = 13; mean age 15...
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.
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.
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.
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.
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.
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%.
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)
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.
Flexible Electronics Research Facility
Federal Laboratory Consortium — The Flexible Electronics Research Facility designs, synthesizes, tests, and fabricates materials and devices compatible with flexible substrates for Army information...
Bahatyrova, S.; Frese, R.N.; van der Werf, K.O.; Otto, C.; Hunter, C.N.; Olsen, J.D.
2004-01-01
Previous electron microscopic studies of bacterial RC-LH1 complexes demonstrated both circular and elliptical conformations of the LH1 ring, and this implied flexibility has been suggested to allow passage of quinol from the Q
Development of the Coping Flexibility Scale: Evidence for the Coping Flexibility Hypothesis
Kato, Tsukasa
2012-01-01
"Coping flexibility" was defined as the ability to discontinue an ineffective coping strategy (i.e., evaluation coping) and produce and implement an alternative coping strategy (i.e., adaptive coping). The Coping Flexibility Scale (CFS) was developed on the basis of this definition. Five studies involving approximately 4,400 Japanese…
Kamomae, Takeshi; Monzen, Hajime; Kawamura, Mariko; Okudaira, Kuniyasu; Nakaya, Takayoshi; Mukoyama, Takashi; Miyake, Yoshikazu; Ishihara, Yoshitomo; Itoh, Yoshiyuki; Naganawa, Shinji
2018-01-01
Intraoperative electron radiotherapy (IOERT), which is an accelerated partial breast irradiation method, has been used for early-stage breast cancer treatment. In IOERT, a protective disk is inserted behind the target volume to minimize the dose received by normal tissues. However, to use such a disk, the surgical incision must be larger than the field size because the disk is manufactured from stiff and unyielding materials. In this study, the applicability of newly developed tungsten-based functional paper (TFP) was assessed as an alternative to the existing protective disk. The radiation-shielding performance of the TFP was verified through experimental measurements and Monte Carlo simulations. Percentage depth dose curves and lateral dose profiles with and without TFPs were measured and simulated on a dedicated IOERT accelerator. The number of piled-up TFPs was changed from 1 to 40. In the experimental measurements, the relative doses at the exit plane of the TFPs for 9 MeV were 42.7%, 9.2%, 0.2%, and 0.1% with 10, 20, 30, and 40 TFPs, respectively, whereas those for 12 MeV were 63.6%, 27.1%, 8.6%, and 0.2% with 10, 20, 30, and 40 TFPs, respectively. Slight dose enhancements caused by backscatter radiation from the TFPs were observed at the entrance plane of the TFPs at both beam energies. The results of the Monte Carlo simulation indicated the same tendency as the experimental measurements. Based on the experimental and simulated results, the radiation-shielding performances of 30 TFPs for 9 MeV and 40 TFPs for 12 MeV were confirmed to be acceptable and close to those of the existing protective disk. The findings of this study suggest the feasibility of using TFPs as flexible chest wall protectors in IOERT for breast cancer treatment.
Modelling Flexible Pavement Response and Performance
DEFF Research Database (Denmark)
Ullidtz, Per
This textbook is primarily concerned with models for predicting the future condition of flexible pavements, as a function of traffic loading, climate, materials, etc., using analytical-empirical methods.......This textbook is primarily concerned with models for predicting the future condition of flexible pavements, as a function of traffic loading, climate, materials, etc., using analytical-empirical methods....
Flexible substrates as basis for photocatalytic reduction of carbon dioxide
DEFF Research Database (Denmark)
Jensen, Jacob; Mikkelsen, Mette; Krebs, Frederik C
2011-01-01
A photocatalytic system for converting carbon dioxide into carbon monoxide was designed and constructed. The system relies on thin films of the photocatalyst prepared at low temperature using spray coating. We formulated inks based on the well-known photocatalyst titanium dioxide and characterized...
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.
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.
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.
Skill Flexibility among Schoolteachers: Operationalization and Organizational Implications.
Rosenblatt, Zehava; Inbal, Batia
1999-01-01
Investigates effects of skill flexibility on Israeli secondary teachers' work attitudes and job performance. Both role and functional flexibility were associated with improved teachers' work performance; role flexibility is linked to high organizational commitment and low powerlessness. Principals appreciate skill flexibility, but organizational…
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
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.)
2003-12-01
The 'work-life balance' and flexible working are currently key buzz terms in the NHS. Those looking for more information on these topics should visit Flexibility at www.flexibility.co.uk for a host of resources designed to support new ways of working, including information on flexible workers and flexible rostering, the legal balancing act for work-life balance and home working.
Developmental constraints on behavioural flexibility.
Holekamp, Kay E; Swanson, Eli M; Van Meter, Page E
2013-05-19
We suggest that variation in mammalian behavioural flexibility not accounted for by current socioecological models may be explained in part by developmental constraints. From our own work, we provide examples of constraints affecting variation in behavioural flexibility, not only among individuals, but also among species and higher taxonomic units. We first implicate organizational maternal effects of androgens in shaping individual differences in aggressive behaviour emitted by female spotted hyaenas throughout the lifespan. We then compare carnivores and primates with respect to their locomotor and craniofacial adaptations. We inquire whether antagonistic selection pressures on the skull might impose differential functional constraints on evolvability of skulls and brains in these two orders, thus ultimately affecting behavioural flexibility in each group. We suggest that, even when carnivores and primates would theoretically benefit from the same adaptations with respect to behavioural flexibility, carnivores may nevertheless exhibit less behavioural flexibility than primates because of constraints imposed by past adaptations in the morphology of the limbs and skull. Phylogenetic analysis consistent with this idea suggests greater evolutionary lability in relative brain size within families of primates than carnivores. Thus, consideration of developmental constraints may help elucidate variation in mammalian behavioural flexibility.
Cálculo racional de firmes flexibles
Directory of Open Access Journals (Sweden)
Kucera, Karel
1970-03-01
Full Text Available The authors states the need to develop a method of designing flexible pavements which approach optimum functional and low cost solutions. This paper brings up to date the problem of calculating the various dimensions of a pavement, and it describes eight methods which are being currently used. Suitable charts and diagrams are also included. Professor Kucera concludes that these methods, of rational or empirical basis, in spite of their varying initial concepts and data, finally give comparable results regarding the calculation of the pavement thickness.Expone el autor la necesidad de llegar a un método de cálculo de firmes flexibles que nos acerque a soluciones óptimas en el aspecto económico-funcional. El trabajo es una puesta al día del problema del dimensionamiento, que se define en la breve descripción de ocho métodos actualmente en uso, ilustrada con los correspondientes ábacos o diagramas. La conclusión del Prof. Kucera es que estos métodos, de base racional o empírica, a pesar de sus diferentes concepciones y datos de partida, ofrecen resultados comparables para el cálculo de espesores del firme.
[Flexible ENT endoscopy--video technic].
Rasinger, G A; Horak, F
1985-02-01
This study discusses the solutions to the problem of documenting moving processes in the field of otolaryngology. A flexible bronchoscope and video equipment connected to it are presented as a specific solution of the problem, with ample of observations. A technical comparison is used as the basis for a discussion of the pros and cons of the video and film techniques. A successful arrangement of examination facilities illustrates the future of flexible-endoscope techniques in the field of otolaryngology.