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Sample records for applied biological simulations

  1. A Strategic Initiative in Applied Biological Simulations 01-SI-012 Final Report for FY01 - FY03

    Energy Technology Data Exchange (ETDEWEB)

    Lau, E Y; Venclovas, C; Schwegler, E; Gygi, F; Colvin, M E; Bennion, B J; Barsky, D; Mundy, C; Lightstone, F C; Galli, G; Sawicka, D

    2004-02-16

    The goal of this Strategic Initiative in Applied Computational Biology has been to apply LLNL's expertise in computational simulation to forge a new laboratory core competency in biological simulation. By every measure, this SI has been very successful in this goal. Based on a strong publication record and large number of conference presentations and invited talks, we have built a recognized niche for LLNL in the burgeoning field of computational biology. Further, many of the projects that were previously part of this LDRD are now externally funded based on the research results and expertise developed under this SI. We have created successful collaborations with a number of outside research groups including several joint projects with the new UC Davis/LLNL Comprehensive Cancer Center. In addition to these scientific collaborations, the staff developed on this SI is involved in computational biology program development and advisory roles with other DOE laboratories and DOE Headquarters. Moreover, a number of capabilities and expertise created by this SI are finding use in LLNL programmatic applications. Finally, and most importantly, this SI project has brought to LLNL the human talent on who will be the ensuring the further success of computational biology at this laboratory.

  2. Simulated null-gravity environments as applied to electrophoretic separations of biological species

    Science.gov (United States)

    Giannovario, J. A.; Griffin, R. N.

    1978-01-01

    The scale-up of electrophoretic separations to provide preparative quantities of materials has been hampered by gravity induced convection and sedimentation. The separation of biologically important species may be significantly enhanced by electrophoretic space processing. Simple demonstrations on past space flights have proven some principles. Several techniques have been evolved to study electrophoretic separations where the effects of gravity have been nullified or significantly reduced. These techniques employ mechanical design, density gradients and computer modeling. Utilization of these techniques for ground based studies will yield clues as to which biological species can be considered prime candidates for electrophoretic processing in zero-G.

  3. Biology of Applied Digital Ecosystems

    CERN Document Server

    Briscoe, G; Paperin, G

    2007-01-01

    A primary motivation for research in digital ecosystems is the desire to exploit the self-organising properties of natural ecosystems. Ecosystems are thought to be robust, scalable architectures that can automatically solve complex, dynamic problems. However, the biological processes that contribute to these properties have not been made explicit in digital ecosystem research. Here, we discuss how biological properties contribute to the self-organising features of natural ecosystems. These properties include populations of evolving agents, a complex dynamic environment, and spatial distributions which generate local interactions. The potential for exploiting these properties in artificial systems is then considered. An example architecture, the Digital Business Ecosystem (DBE), is considered in detail. Simulation results imply that the DBE performs better at large scales than a comparable service-oriented architecture. These results suggest that incorporating ideas from theoretical ecology can contribute to u...

  4. Applied large eddy simulation.

    Science.gov (United States)

    Tucker, Paul G; Lardeau, Sylvain

    2009-07-28

    Large eddy simulation (LES) is now seen more and more as a viable alternative to current industrial practice, usually based on problem-specific Reynolds-averaged Navier-Stokes (RANS) methods. Access to detailed flow physics is attractive to industry, especially in an environment in which computer modelling is bound to play an ever increasing role. However, the improvement in accuracy and flow detail has substantial cost. This has so far prevented wider industrial use of LES. The purpose of the applied LES discussion meeting was to address questions regarding what is achievable and what is not, given the current technology and knowledge, for an industrial practitioner who is interested in using LES. The use of LES was explored in an application-centred context between diverse fields. The general flow-governing equation form was explored along with various LES models. The errors occurring in LES were analysed. Also, the hybridization of RANS and LES was considered. The importance of modelling relative to boundary conditions, problem definition and other more mundane aspects were examined. It was to an extent concluded that for LES to make most rapid industrial impact, pragmatic hybrid use of LES, implicit LES and RANS elements will probably be needed. Added to this further, highly industrial sector model parametrizations will be required with clear thought on the key target design parameter(s). The combination of good numerical modelling expertise, a sound understanding of turbulence, along with artistry, pragmatism and the use of recent developments in computer science should dramatically add impetus to the industrial uptake of LES. In the light of the numerous technical challenges that remain it appears that for some time to come LES will have echoes of the high levels of technical knowledge required for safe use of RANS but with much greater fidelity.

  5. A study of the speed and the accuracy of the Boundary Element Method as applied to the computational simulation of biological organs

    CERN Document Server

    P, Kirana Kumara

    2013-01-01

    In this work, first a Fortran code is developed for three dimensional linear elastostatics using constant boundary elements; the code is based on a MATLAB code developed by the author earlier. Next, the code is parallelized using BLACS, MPI, and ScaLAPACK. Later, the parallelized code is used to demonstrate the usefulness of the Boundary Element Method (BEM) as applied to the realtime computational simulation of biological organs, while focusing on the speed and accuracy offered by BEM. A computer cluster is used in this part of the work. The commercial software package ANSYS is used to obtain the `exact' solution against which the solution from BEM is compared; analytical solutions, wherever available, are also used to establish the accuracy of BEM. A pig liver is the biological organ considered. Next, instead of the computer cluster, a Graphics Processing Unit (GPU) is used as the parallel hardware. Results indicate that BEM is an interesting choice for the simulation of biological organs. Although the use ...

  6. Modeling and simulation of three dimensional manipulations of biological micro/nanoparticles by applying cylindrical contact mechanics models by means of AFM

    Energy Technology Data Exchange (ETDEWEB)

    Korayem, M. H., E-mail: hkorayem@iust.ac.ir [Iran University of Science and Technology, Robotic Research Laboratory, School of Mechanical Engineering, Center of Excellence in Experimental Solid Mechanics and Dynamics (Iran, Islamic Republic of); Saraee, M. B. [Islamic Azad University, Department of Mechanical and Aerospace Engineering, Science and Research Branch (Iran, Islamic Republic of); Mahmoodi, Z.; Dehghani, S. [Iran University of Science and Technology, Robotic Research Laboratory, School of Mechanical Engineering, Center of Excellence in Experimental Solid Mechanics and Dynamics (Iran, Islamic Republic of)

    2015-11-15

    This paper has attempted to investigate the effective forces in 3D manipulation of biological micro/nano particles. Most of the recent researches have only examined 2D spherical geometries but in this paper, the cylindrical geometries, which are much closer to the real geometries, were considered. For achieving a more accurate modeling, manipulation dynamics was also considered to be three dimensional which have been done for the first time. Because of the sensibility to the amount of endurable applied forces, manipulation process of biological micro/nano particles has some restrictions. Therefore, applied forces exerted on the particles in all different directions were simulated in order to restrict all those possible damages cause by operator of the AFM. Those data from simulated forces will bring a more accurate and sensible understanding for the operator to operate. For the validation of results, the proposed model was compared with the model presented for manipulation of gold nanoparticle and then, by reducing the effective parameters in the 3D manipulation, the results were compared with those obtained for the 2D cylindrical model and with the experimental results of spherical nanoparticle in the 2D manipulation.

  7. Simulating Biological and Non-Biological Motion

    Science.gov (United States)

    Bruzzo, Angela; Gesierich, Benno; Wohlschlager, Andreas

    2008-01-01

    It is widely accepted that the brain processes biological and non-biological movements in distinct neural circuits. Biological motion, in contrast to non-biological motion, refers to active movements of living beings. Aim of our experiment was to investigate the mechanisms underlying mental simulation of these two movement types. Subjects had to…

  8. Computer simulations applied in materials

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2003-07-01

    This workshop takes stock of the simulation methods applied to nuclear materials and discusses the conditions in which these methods can predict physical results when no experimental data are available. The main topic concerns the radiation effects in oxides and includes also the behaviour of fission products in ceramics, the diffusion and segregation phenomena and the thermodynamical properties under irradiation. This document brings together a report of the previous 2002 workshop and the transparencies of 12 presentations among the 15 given at the workshop: accommodation of uranium and plutonium in pyrochlores; radiation effects in La{sub 2}Zr{sub 2}O{sub 7} pyrochlores; first principle calculations of defects formation energies in the Y{sub 2}(Ti,Sn,Zr){sub 2}O{sub 7} pyrochlore system; an approximate approach to predicting radiation tolerant materials; molecular dynamics study of the structural effects of displacement cascades in UO{sub 2}; composition defect maps for A{sup 3+}B{sup 3+}O{sub 3} perovskites; NMR characterization of radiation damaged materials: using simulation to interpret the data; local structure in damaged zircon: a first principle study; simulation studies on SiC; insertion and diffusion of He in 3C-SiC; a review of helium in silica; self-trapped holes in amorphous silicon dioxide: their short-range structure revealed from electron spin resonance and optical measurements and opportunities for inferring intermediate range structure by theoretical modelling. (J.S.)

  9. Loop Quantum Theory Applied to Biology and Nonlinear Whole Biology

    CERN Document Server

    Chang, Yi-Fang

    2008-01-01

    The loop quantum theory, which constitutes a very small discontinuous space, as new method is applied to biology. The model of protein folding and lungs is proposed. In the model, some known results are used, and four approximate conclusions are obtained: their structures are quantized, their space regions are finite, various singularities correspond to folding and crossed points, and different types of catastrophe exist. Further, based on the inseparability and correlativity of the biological systems, the nonlinear whole biology is proposed, and four basic hypotheses are formed. It may unify reductionism and holism, structuralism and functionalism. Finally, the medical meaning of the theory is discussed briefly.

  10. Prospects for applying synthetic biology to toxicology

    DEFF Research Database (Denmark)

    Behrendorff, James Bruce Yarnton H; Gillam, Elizabeth M.J.

    2017-01-01

    The 30 years since the inception of Chemical Research in Toxicology, game-changing advances in chemical and molecular biology, the fundamental disciplines underpinning molecular toxicology, have been made. While these have led to important advances in the study of mechanisms by which chemicals...... damage cells and systems, there has been less focus on applying these advances to prediction, detection, and mitigation of toxicity. Over the last ∼15 years, synthetic biology, the repurposing of biological "parts" in systems engineered for useful ends, has been explored in other areas of the biomedical...... and life sciences, for such applications as detecting metabolites, drug discovery and delivery, investigating disease mechanisms, improving medical treatment, and producing useful chemicals. These examples provide models for the application of synthetic biology to toxicology, which, for the most part, has...

  11. Integrative Systems Biology Applied to Toxicology

    DEFF Research Database (Denmark)

    Kongsbak, Kristine Grønning

    associated with combined exposure to multiple chemicals. Testing all possible combinations of the tens of thousands environmental chemicals is impractical. This PhD project was launched to apply existing computational systems biology methods to toxicological research. In this thesis, I present in three...... of a system thereby suggesting new ways of thinking specific toxicological endpoints. Furthermore, computational methods can serve as valuable input for the hypothesis generating phase of the preparations of a research project....

  12. [Applied problems of mathematical biology and bioinformatics].

    Science.gov (United States)

    Lakhno, V D

    2011-01-01

    Mathematical biology and bioinformatics represent a new and rapidly progressing line of investigations which emerged in the course of work on the project "Human genome". The main applied problems of these sciences are grug design, patient-specific medicine and nanobioelectronics. It is shown that progress in the technology of mass sequencing of the human genome has set the stage for starting the national program on patient-specific medicine.

  13. Systems biology: the reincarnation of systems theory applied in biology?

    Science.gov (United States)

    Wolkenhauer, O

    2001-09-01

    With the availability of quantitative data on the transcriptome and proteome level, there is an increasing interest in formal mathematical models of gene expression and regulation. International conferences, research institutes and research groups concerned with systems biology have appeared in recent years and systems theory, the study of organisation and behaviour per se, is indeed a natural conceptual framework for such a task. This is, however, not the first time that systems theory has been applied in modelling cellular processes. Notably in the 1960s systems theory and biology enjoyed considerable interest among eminent scientists, mathematicians and engineers. Why did these early attempts vanish from research agendas? Here we shall review the domain of systems theory, its application to biology and the lessons that can be learned from the work of Robert Rosen. Rosen emerged from the early developments in the 1960s as a main critic but also developed a new alternative perspective to living systems, a concept that deserves a fresh look in the post-genome era of bioinformatics.

  14. Numerical simulation in applied geophysics

    CERN Document Server

    Santos, Juan Enrique

    2016-01-01

    This book presents the theory of waves propagation in a fluid-saturated porous medium (a Biot medium) and its application in Applied Geophysics. In particular, a derivation of absorbing boundary conditions in viscoelastic and poroelastic media is presented, which later is employed in the applications. The partial differential equations describing the propagation of waves in Biot media are solved using the Finite Element Method (FEM). Waves propagating in a Biot medium suffer attenuation and dispersion effects. In particular the fast compressional and shear waves are converted to slow diffusion-type waves at mesoscopic-scale heterogeneities (on the order of centimeters), effect usually occurring in the seismic range of frequencies. In some cases, a Biot medium presents a dense set of fractures oriented in preference directions. When the average distance between fractures is much smaller than the wavelengths of the travelling fast compressional and shear waves, the medium behaves as an effective viscoelastic an...

  15. Stochastic simulation in systems biology.

    Science.gov (United States)

    Székely, Tamás; Burrage, Kevin

    2014-11-01

    Natural systems are, almost by definition, heterogeneous: this can be either a boon or an obstacle to be overcome, depending on the situation. Traditionally, when constructing mathematical models of these systems, heterogeneity has typically been ignored, despite its critical role. However, in recent years, stochastic computational methods have become commonplace in science. They are able to appropriately account for heterogeneity; indeed, they are based around the premise that systems inherently contain at least one source of heterogeneity (namely, intrinsic heterogeneity). In this mini-review, we give a brief introduction to theoretical modelling and simulation in systems biology and discuss the three different sources of heterogeneity in natural systems. Our main topic is an overview of stochastic simulation methods in systems biology. There are many different types of stochastic methods. We focus on one group that has become especially popular in systems biology, biochemistry, chemistry and physics. These discrete-state stochastic methods do not follow individuals over time; rather they track only total populations. They also assume that the volume of interest is spatially homogeneous. We give an overview of these methods, with a discussion of the advantages and disadvantages of each, and suggest when each is more appropriate to use. We also include references to software implementations of them, so that beginners can quickly start using stochastic methods for practical problems of interest.

  16. Bioinspiration: applying mechanical design to experimental biology.

    Science.gov (United States)

    Flammang, Brooke E; Porter, Marianne E

    2011-07-01

    The production of bioinspired and biomimetic constructs has fostered much collaboration between biologists and engineers, although the extent of biological accuracy employed in the designs produced has not always been a priority. Even the exact definitions of "bioinspired" and "biomimetic" differ among biologists, engineers, and industrial designers, leading to confusion regarding the level of integration and replication of biological principles and physiology. By any name, biologically-inspired mechanical constructs have become an increasingly important research tool in experimental biology, offering the opportunity to focus research by creating model organisms that can be easily manipulated to fill a desired parameter space of structural and functional repertoires. Innovative researchers with both biological and engineering backgrounds have found ways to use bioinspired models to explore the biomechanics of organisms from all kingdoms to answer a variety of different questions. Bringing together these biologists and engineers will hopefully result in an open discourse of techniques and fruitful collaborations for experimental and industrial endeavors.

  17. Bio-inspired algorithms applied to molecular docking simulations.

    Science.gov (United States)

    Heberlé, G; de Azevedo, W F

    2011-01-01

    Nature as a source of inspiration has been shown to have a great beneficial impact on the development of new computational methodologies. In this scenario, analyses of the interactions between a protein target and a ligand can be simulated by biologically inspired algorithms (BIAs). These algorithms mimic biological systems to create new paradigms for computation, such as neural networks, evolutionary computing, and swarm intelligence. This review provides a description of the main concepts behind BIAs applied to molecular docking simulations. Special attention is devoted to evolutionary algorithms, guided-directed evolutionary algorithms, and Lamarckian genetic algorithms. Recent applications of these methodologies to protein targets identified in the Mycobacterium tuberculosis genome are described.

  18. Introduction: Applying Chemical Biology to Ion Channels.

    Science.gov (United States)

    Pless, Stephan A; Ahern, Christopher A

    2015-01-01

    Ion channels are membrane-spanning proteins that control the flow of ions across biological membranes through an aqueous pathway. The opening or closing of this pore can be controlled by a myriad of physiological inputs (voltage, ligands, temperature, metabolites, pH), which in turn allow for the controlled flux of ions across membranes, resulting in the generation of minute electrical signals. The functional implications of ion channel function on physiological processes are vast. Electrical impulses, in the form of action potentials or diverse chemo-electrical signals, coordinate the syncytium of the heart beat, support a myriad of neuronal communication pathways, insulin secretion, and are central to the immune response, with more roles being discovered virtually everyday. Thus, ion channel function is a biophysical process that is central to biological life at many levels. And with over 500 channel-forming subunits known today in humans, this large class of proteins is also increasingly recognised as important drug targets, as inherited or acquired ion channel dysfunction are known causes of disease.

  19. Synthetic biology: applying biological circuits beyond novel therapies.

    Science.gov (United States)

    Dobrin, Anton; Saxena, Pratik; Fussenegger, Martin

    2016-04-18

    Synthetic biology, an engineering, circuit-driven approach to biology, has developed whole new classes of therapeutics. Unfortunately, these advances have thus far been undercapitalized upon by basic researchers. As discussed herein, using synthetic circuits, one can undertake exhaustive investigations of the endogenous circuitry found in nature, develop novel detectors and better temporally and spatially controlled inducers. One could detect changes in DNA, RNA, protein or even transient signaling events, in cell-based systems, in live mice, and in humans. Synthetic biology has also developed inducible systems that can be induced chemically, optically or using radio waves. This induction has been re-wired to lead to changes in gene expression, RNA stability and splicing, protein stability and splicing, and signaling via endogenous pathways. Beyond simple detectors and inducible systems, one can combine these modalities and develop novel signal integration circuits that can react to a very precise pre-programmed set of conditions or even to multiple sets of precise conditions. In this review, we highlight some tools that were developed in which these circuits were combined such that the detection of a particular event automatically triggered a specific output. Furthermore, using novel circuit-design strategies, circuits have been developed that can integrate multiple inputs together in Boolean logic gates composed of up to 6 inputs. We highlight the tools available and what has been developed thus far, and highlight how some clinical tools can be very useful in basic science. Most of the systems that are presented can be integrated together; and the possibilities far exceed the number of currently developed strategies.

  20. [New concepts in molecular biology applied to traslational research].

    Science.gov (United States)

    Mengual, Lourdes

    2013-06-01

    This chapter intends to introduce the new concepts that have been established in molecular biology over the last years and are being applied in translational research. The chapter is divided in four big blocks, which treat the molecular biology concepts and techniques in relation to DNA, RNA, proteins and metabolites, respectively. Moreover, we give examples of translational application of these new methodologies described.

  1. Spatial Aspects in Biological System Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Resat, Haluk; Costa, Michelle N.; Shankaran, Harish

    2011-01-30

    Mathematical models of the dynamical properties of biological systems aim to improve our understanding of the studied system with the ultimate goal of being able to predict system responses in the absence of experimentation. Despite the enormous advances that have been made in biological modeling and simulation, the inherently multiscale character of biological systems and the stochasticity of biological processes continue to present significant computational and conceptual challenges. Biological systems often consist of well-organized structural hierarchies, which inevitably lead to multiscale problems. This chapter introduces and discusses the advantages and shortcomings of several simulation methods that are being used by the scientific community to investigate the spatio-temporal properties of model biological systems. We first describe the foundations of the methods and then describe their relevance and possible application areas with illustrative examples from our own research. Possible ways to address the encountered computational difficulties are also discussed.

  2. Vertical mill simulation applied to iron ores

    Directory of Open Access Journals (Sweden)

    Douglas Batista Mazzinghy

    2015-04-01

    Full Text Available The application of vertical mills in regrind circuits is consolidated. This type of mill is now attracting interest in primary grinding applications, due to its higher efficiency when compared to ball mills, which are usually used at this stage. In this study, a coarse sample of iron ore was tested in a pilot scale grinding circuit with a vertical mill. Other three samples of pellet feed had already been tested with the methodology used in this study. The sample of coarse iron ore was characterized in laboratory tests carried out in a small batch ball mill. Selection and breakage function parameters were determined from the laboratory tests. The parameters were then used for simulating the pilot scale tests using Modsim™ software. The model previously implemented in Modsim™ has been successfully applied to represent the vertical mill operated with different ores. The simulations produced particle size distributions that were very close to the actual size distributions, and the predictions were accomplished only by imputing the calibrated parameters from the batch tests, the power draw and the feed size distribution of the pilot tests. The methodology is therefore useful for scale-up and simulation of vertical mills, only requiring laboratory tests that can be carried out in standard laboratory batch ball mills with small amounts of samples.

  3. Computer Simulation and Computabiblity of Biological Systems

    CERN Document Server

    Baianu, I C

    2004-01-01

    The ability to simulate a biological organism by employing a computer is related to the ability of the computer to calculate the behavior of such a dynamical system, or the "computability" of the system. However, the two questions of computability and simulation are not equivalent. Since the question of computability can be given a precise answer in terms of recursive functions, automata theory and dynamical systems, it will be appropriate to consider it first. The more elusive question of adequate simulation of biological systems by a computer will be then addressed and a possible connection between the two answers given will be considered as follows. A symbolic, algebraic-topological "quantum computer" (as introduced in Baianu, 1971b) is here suggested to provide one such potential means for adequate biological simulations based on QMV Quantum Logic and meta-Categorical Modeling as for example in a QMV-based, Quantum-Topos (Baianu and Glazebrook,2004.

  4. Biological transportation networks: Modeling and simulation

    KAUST Repository

    Albi, Giacomo

    2015-09-15

    We present a model for biological network formation originally introduced by Cai and Hu [Adaptation and optimization of biological transport networks, Phys. Rev. Lett. 111 (2013) 138701]. The modeling of fluid transportation (e.g., leaf venation and angiogenesis) and ion transportation networks (e.g., neural networks) is explained in detail and basic analytical features like the gradient flow structure of the fluid transportation network model and the impact of the model parameters on the geometry and topology of network formation are analyzed. We also present a numerical finite-element based discretization scheme and discuss sample cases of network formation simulations.

  5. microlith : Image Simulation for Biological Phase Microscopy

    CERN Document Server

    Mehta, Shalin B

    2013-01-01

    Accurate simulation of image formation remains under-exploited for biological phase microscopy methods that employ partially coherent illumination, despite being important for the design of imaging systems and the reconstruction algorithms. We present an open-source MATLAB toolbox, microlith (https://code.google.com/p/microlith), that provides accurate simulation of the 3D image of a thin specimen under any partially coherent imaging system, including coherent or incoherent systems. We demonstrate the accuracy of the microlith toolbox by comparing simulated images and experimental images of a phase-only Siemens star test target using dark field and differential interference contrast microscopes. The comparison leads to intriguing insights about the sensitivity of the dark-field microscope to sub-resolution features and effects of specimen birefringence on differential interference contrast.

  6. Stochastic Simulation of Process Calculi for Biology

    CERN Document Server

    Phillips, Andrew; Paulevé, Loïc; 10.4204/EPTCS.40.1

    2010-01-01

    Biological systems typically involve large numbers of components with complex, highly parallel interactions and intrinsic stochasticity. To model this complexity, numerous programming languages based on process calculi have been developed, many of which are expressive enough to generate unbounded numbers of molecular species and reactions. As a result of this expressiveness, such calculi cannot rely on standard reaction-based simulation methods, which require fixed numbers of species and reactions. Rather than implementing custom stochastic simulation algorithms for each process calculus, we propose to use a generic abstract machine that can be instantiated to a range of process calculi and a range of reaction-based simulation algorithms. The abstract machine functions as a just-in-time compiler, which dynamically updates the set of possible reactions and chooses the next reaction in an iterative cycle. In this short paper we give a brief summary of the generic abstract machine, and show how it can be instant...

  7. Stochastic Simulation of Process Calculi for Biology

    Directory of Open Access Journals (Sweden)

    Andrew Phillips

    2010-10-01

    Full Text Available Biological systems typically involve large numbers of components with complex, highly parallel interactions and intrinsic stochasticity. To model this complexity, numerous programming languages based on process calculi have been developed, many of which are expressive enough to generate unbounded numbers of molecular species and reactions. As a result of this expressiveness, such calculi cannot rely on standard reaction-based simulation methods, which require fixed numbers of species and reactions. Rather than implementing custom stochastic simulation algorithms for each process calculus, we propose to use a generic abstract machine that can be instantiated to a range of process calculi and a range of reaction-based simulation algorithms. The abstract machine functions as a just-in-time compiler, which dynamically updates the set of possible reactions and chooses the next reaction in an iterative cycle. In this short paper we give a brief summary of the generic abstract machine, and show how it can be instantiated with the stochastic simulation algorithm known as Gillespie's Direct Method. We also discuss the wider implications of such an abstract machine, and outline how it can be used to simulate multiple calculi simultaneously within a common framework.

  8. Simulations of (an)isotropic diffusion on curved biological surfaces.

    Science.gov (United States)

    Sbalzarini, Ivo F; Hayer, Arnold; Helenius, Ari; Koumoutsakos, Petros

    2006-02-01

    We present a computational particle method for the simulation of isotropic and anisotropic diffusion on curved biological surfaces that have been reconstructed from image data. The method is capable of handling surfaces of high curvature and complex shape, which are often encountered in biology. The method is validated on simple benchmark problems and is shown to be second-order accurate in space and time and of high parallel efficiency. It is applied to simulations of diffusion on the membrane of endoplasmic reticula (ER) in live cells. Diffusion simulations are conducted on geometries reconstructed from real ER samples and are compared to fluorescence recovery after photobleaching experiments in the same ER samples using the transmembrane protein tsO45-VSV-G, C-terminally tagged with green fluorescent protein. Such comparisons allow derivation of geometry-corrected molecular diffusion constants for membrane components from fluorescence recovery after photobleaching data. The results of the simulations indicate that the diffusion behavior of molecules in the ER membrane differs significantly from the volumetric diffusion of soluble molecules in the lumen of the same ER. The apparent speed of recovery differs by a factor of approximately 4, even when the molecular diffusion constants of the two molecules are identical. In addition, the specific shape of the membrane affects the recovery half-time, which is found to vary by a factor of approximately 2 in different ER samples.

  9. Applied simulation to the project management: a review

    Directory of Open Access Journals (Sweden)

    Leonardo Rosas Leal

    2011-05-01

    Full Text Available The objective of this article is to show a literature review of Applied Simulation to the Project Management as for the last twenty years. This article reviews the main Simulation methodologies, as well as some of their properties, that have stimulated the application of Simulation in project management. Besides that, a review of historical marks is presented, since the Monte Carlo Simulation proposal as a solution to PERT/CPM methodology limitations. In addition, this work intends to outline the theme through stratifications in order to offer a holistic overview of the theme. As a result, there will be the possibility of realize some important connections and tendencies in relation to the stratifications, as the application of the Discrete Event Simulation and Monte Carlo Simulation methodologies for the schedule and cost risk management. Such applications are mainly related with high level risk projects, such as civil projects, software development, design Engineering and Oil & gas projects.

  10. New Strategies on Molecular Biology Applied to Microbial Systematics

    Directory of Open Access Journals (Sweden)

    HÖFLING José F.

    1997-01-01

    Full Text Available Systematics is the study of diversity of the organisms and their relationships comprising classification, nomenclature and identification. The term classification or taxonomy means the arrangement of the organisms in groups (rate and the nomenclature is the attribution of correct international scientific names to organisms and identification is the inclusion of unknown strains in groups derived from classification. Therefore, classification for a stable nomenclature and a perfect identification are required previously. The beginning of the new bacterial systematics era can be remembered by the introduction and application of new taxonomic concepts and techniques, from the 50?s and 60?s. Important progress were achieved using numerical taxonomy and molecular taxonomy. Molecular taxonomy, brought into effect after the emergence of the Molecular Biology resources, provided knowledge that comprises systematics of bacteria, in which occurs great evolutionary interest, or where is observed the necessity of eliminating any environmental interference. When you study the composition and disposition of nucleotides in certain portions of the genetic material, you study searching their genome, much less susceptible to environmental alterations than proteins, codified based on it. In the molecular taxonomy, you can research both DNA and RNA, and the main techniques that have been used in the systematics comprise the build of restriction maps, DNA-DNA hybridization, DNA-RNA hybridization, sequencing of DNA sequencing of sub-units 16S and 23S of rRNA, RAPD, RFLP, PFGE etc. Techniques such as base sequencing, though they are extremely sensible and greatly precise, are relatively onerous and impracticable to the great majority of the bacterial taxonomy laboratories. Several specialized techniques have been applied to taxonomic studies of microorganisms. In the last years, these have included preliminary electrophoretic analysis of soluble proteins and isoenzymes

  11. Applied systems biology - vanillin production in Saccharomyces cerevisiae

    DEFF Research Database (Denmark)

    Strucko, Tomas; Eriksen, Jens Christian; Nielsen, J.

    2012-01-01

    Vanillin is the most important aroma compound based on market value, and natural vanillin is extracted from the cured seed pods of the Vanilla orchid. Most of the world’s vanillin, however, is obtained by chemical synthesis from petrochemicals or wood pulp lignins. As an alternative, de novo bios...... in a systems biology setting....

  12. Applied Developmental Biology: Making Human Pancreatic Beta Cells for Diabetics.

    Science.gov (United States)

    Melton, Douglas A

    2016-01-01

    Understanding the genes and signaling pathways that determine the differentiation and fate of a cell is a central goal of developmental biology. Using that information to gain mastery over the fates of cells presents new approaches to cell transplantation and drug discovery for human diseases including diabetes.

  13. Cellular systems biology profiling applied to cellular models of disease.

    Science.gov (United States)

    Giuliano, Kenneth A; Premkumar, Daniel R; Strock, Christopher J; Johnston, Patricia; Taylor, Lansing

    2009-11-01

    Building cellular models of disease based on the approach of Cellular Systems Biology (CSB) has the potential to improve the process of creating drugs as part of the continuum from early drug discovery through drug development and clinical trials and diagnostics. This paper focuses on the application of CSB to early drug discovery. We discuss the integration of protein-protein interaction biosensors with other multiplexed, functional biomarkers as an example in using CSB to optimize the identification of quality lead series compounds.

  14. The Fractal Simulation Of Biological Shapes

    Science.gov (United States)

    Pickover, Clifford A.

    1989-04-01

    This paper provides a light introduction to simple graphics techniques for visualizing a large class of biological shapes generated from recursive algorithms. In order to capture some of the structural richness inherent in organisms, the algorithms produce not only extreme variability but also a high level of organization. The material primarily comes from previous published works of the author. For a general background on fractal methods in mathematics and science, see Mandelbrot's famous book. For research on the fractal characterization of other biological structures, such as the lung's bronchial tree and the surfaces of protein molecules.

  15. Coating-substrate-simulations applied to HFQ® forming tools

    Directory of Open Access Journals (Sweden)

    Leopold Jürgen

    2015-01-01

    Full Text Available In this paper a comparative analysis of coating-substrate simulations applied to HFQTM forming tools is presented. When using the solution heat treatment cold die forming and quenching process, known as HFQTM, for forming of hardened aluminium alloy of automotive panel parts, coating-substrate-systems have to satisfy unique requirements. Numerical experiments, based on the Advanced Adaptive FE method, will finally present.

  16. Systems biology applied to vaccine and immunotherapy development

    Directory of Open Access Journals (Sweden)

    Marincola Francesco M

    2011-09-01

    Full Text Available Abstract Immunotherapies, including vaccines, represent a potent tool to prevent or contain disease with high morbidity or mortality such as infections and cancer. However, despite their widespread use, we still have a limited understanding of the mechanisms underlying the induction of protective immune responses. Immunity is made of a multifaceted set of integrated responses involving a dynamic interaction of thousands of molecules; among those is a growing appreciation for the role the innate immunity (i.e. pathogen recognition receptors - PRRs plays in determining the nature and duration (immune memory of adaptive T and B cell immunity. The complex network of interactions between immune manipulation of the host (immunotherapy on one side and innate and adaptive responses on the other might be fully understood only employing the global level of investigation provided by systems biology. In this framework, the advancement of high-throughput technologies, together with the extensive identification of new genes, proteins and other biomolecules in the "omics" era, facilitate large-scale biological measurements. Moreover, recent development of new computational tools enables the comprehensive and quantitative analysis of the interactions between all of the components of immunity over time. Here, we review recent progress in using systems biology to study and evaluate immunotherapy and vaccine strategies for infectious and neoplastic diseases. Multi-parametric data provide novel and often unsuspected mechanistic insights while enabling the identification of common immune signatures relevant to human investigation such as the prediction of immune responsiveness that could lead to the improvement of the design of future immunotherapy trials. Thus, the paradigm switch from "empirical" to "knowledge-based" conduct of medicine and immunotherapy in particular, leading to patient-tailored treatment.

  17. Hygrothermal Numerical Simulation Tools Applied to Building Physics

    CERN Document Server

    Delgado, João M P Q; Ramos, Nuno M M; Freitas, Vasco Peixoto

    2013-01-01

    This book presents a critical review on the development and application of hygrothermal analysis methods to simulate the coupled transport processes of Heat, Air, and Moisture (HAM) transfer for one or multidimensional cases. During the past few decades there has been relevant development in this field of study and an increase in the professional use of tools that simulate some of the physical phenomena that are involved in Heat, Air and Moisture conditions in building components or elements. Although there is a significant amount of hygrothermal models referred in the literature, the vast majority of them are not easily available to the public outside the institutions where they were developed, which restricts the analysis of this book to only 14 hygrothermal modelling tools. The special features of this book are (a) a state-of-the-art of numerical simulation tools applied to building physics, (b) the boundary conditions importance, (c) the material properties, namely, experimental methods for the measuremen...

  18. ATLAS Detector Simulation in the Integrated Simulation Framework applied to the W Boson Mass Measurement

    CERN Document Server

    Ritsch, Elmar; Froidevaux, Daniel; Salzburger, Andreas

    One of the cornerstones for the success of the ATLAS experiment at the Large Hadron Collider (LHC) is a very accurate Monte Carlo detector simulation. However, a limit is being reached regarding the amount of simulated data which can be produced and stored with the computing resources available through the worldwide LHC computing grid (WLCG). The Integrated Simulation Framework (ISF) is a novel approach to detector simula- tion which enables a more efficient use of these computing resources and thus allows for the generation of more simulated data. Various simulation technologies are combined to allow for faster simulation approaches which are targeted at the specific needs of in- dividual physics studies. Costly full simulation technologies are only used where high accuracy is required by physics analyses and fast simulation technologies are applied everywhere else. As one of the first applications of the ISF, a new combined simulation approach is developed for the generation of detector calibration samples ...

  19. Applying the community partnership approach to human biology research.

    Science.gov (United States)

    Ravenscroft, Julia; Schell, Lawrence M; Cole, Tewentahawih'tha'

    2015-01-01

    Contemporary human biology research employs a unique skillset for biocultural analysis. This skillset is highly appropriate for the study of health disparities because disparities result from the interaction of social and biological factors over one or more generations. Health disparities research almost always involves disadvantaged communities owing to the relationship between social position and health in stratified societies. Successful research with disadvantaged communities involves a specific approach, the community partnership model, which creates a relationship beneficial for researcher and community. Paramount is the need for trust between partners. With trust established, partners share research goals, agree on research methods and produce results of interest and importance to all partners. Results are shared with the community as they are developed; community partners also provide input on analyses and interpretation of findings. This article describes a partnership-based, 20 year relationship between community members of the Akwesasne Mohawk Nation and researchers at the University at Albany. As with many communities facing health disparity issues, research with Native Americans and indigenous peoples generally is inherently politicized. For Akwesasne, the contamination of their lands and waters is an environmental justice issue in which the community has faced unequal exposure to, and harm by environmental toxicants. As human biologists engage in more partnership-type research, it is important to understand the long term goals of the community and what is at stake so the research circle can be closed and 'helicopter' style research avoided.

  20. Metropolitan Programs in Applied Biological and Agricultural Occupations; A Need and Attitude Study. Final Report.

    Science.gov (United States)

    Thomas, Hollie B.; And Others

    To establish the feasibility of implementing applied biological and agricultural occupations programs in the metropolitan area of Chicago, four populations were surveyed by means of mailed questionnaires or interest inventories to determine: (1) the employment opportunities in the applied biological and agricultural industries, (2) the interests…

  1. CellNet: network biology applied to stem cell engineering.

    Science.gov (United States)

    Cahan, Patrick; Li, Hu; Morris, Samantha A; Lummertz da Rocha, Edroaldo; Daley, George Q; Collins, James J

    2014-08-14

    Somatic cell reprogramming, directed differentiation of pluripotent stem cells, and direct conversions between differentiated cell lineages represent powerful approaches to engineer cells for research and regenerative medicine. We have developed CellNet, a network biology platform that more accurately assesses the fidelity of cellular engineering than existing methodologies and generates hypotheses for improving cell derivations. Analyzing expression data from 56 published reports, we found that cells derived via directed differentiation more closely resemble their in vivo counterparts than products of direct conversion, as reflected by the establishment of target cell-type gene regulatory networks (GRNs). Furthermore, we discovered that directly converted cells fail to adequately silence expression programs of the starting population and that the establishment of unintended GRNs is common to virtually every cellular engineering paradigm. CellNet provides a platform for quantifying how closely engineered cell populations resemble their target cell type and a rational strategy to guide enhanced cellular engineering.

  2. Applied Bayesian statistical studies in biology and medicine

    CERN Document Server

    D’Amore, G; Scalfari, F

    2004-01-01

    It was written on another occasion· that "It is apparent that the scientific culture, if one means production of scientific papers, is growing exponentially, and chaotically, in almost every field of investigation". The biomedical sciences sensu lato and mathematical statistics are no exceptions. One might say then, and with good reason, that another collection of bio­ statistical papers would only add to the overflow and cause even more confusion. Nevertheless, this book may be greeted with some interest if we state that most of the papers in it are the result of a collaboration between biologists and statisticians, and partly the product of the Summer School th "Statistical Inference in Human Biology" which reaches its 10 edition in 2003 (information about the School can be obtained at the Web site http://www2. stat. unibo. itleventilSito%20scuolalindex. htm). is common experience - and not only This is rather important. Indeed, it in Italy - that encounters between statisticians and researchers are spora...

  3. Multi-scale modelling and simulation in systems biology.

    Science.gov (United States)

    Dada, Joseph O; Mendes, Pedro

    2011-02-01

    The aim of systems biology is to describe and understand biology at a global scale where biological functions are recognised as a result of complex mechanisms that happen at several scales, from the molecular to the ecosystem. Modelling and simulation are computational tools that are invaluable for description, prediction and understanding these mechanisms in a quantitative and integrative way. Therefore the study of biological functions is greatly aided by multi-scale methods that enable the coupling and simulation of models spanning several spatial and temporal scales. Various methods have been developed for solving multi-scale problems in many scientific disciplines, and are applicable to continuum based modelling techniques, in which the relationship between system properties is expressed with continuous mathematical equations or discrete modelling techniques that are based on individual units to model the heterogeneous microscopic elements such as individuals or cells. In this review, we survey these multi-scale methods and explore their application in systems biology.

  4. Unit testing, model validation, and biological simulation

    Science.gov (United States)

    Watts, Mark D.; Ghayoomie, S. Vahid; Larson, Stephen D.; Gerkin, Richard C.

    2016-01-01

    The growth of the software industry has gone hand in hand with the development of tools and cultural practices for ensuring the reliability of complex pieces of software. These tools and practices are now acknowledged to be essential to the management of modern software. As computational models and methods have become increasingly common in the biological sciences, it is important to examine how these practices can accelerate biological software development and improve research quality. In this article, we give a focused case study of our experience with the practices of unit testing and test-driven development in OpenWorm, an open-science project aimed at modeling Caenorhabditis elegans. We identify and discuss the challenges of incorporating test-driven development into a heterogeneous, data-driven project, as well as the role of model validation tests, a category of tests unique to software which expresses scientific models. PMID:27635225

  5. Advanced Drug Delivery Systems - a Synthetic and Biological Applied Evaluation

    DEFF Research Database (Denmark)

    Bjerg, Lise Nørkjær

    Specific delivery of drugs to diseased sites in the body is a major topic in the development of drug delivery system today. Especially, the field of cancer treatment needs improved drug delivery systems as the strong dose-limiting side effects of chemotherapy today often present a barrier...... unloading of the encapsulated drug have been tried optimized in a variety of ways. Many propose the use of small molecules, such as vitamins and peptides, for active targeting of the liposomes to overexpressed receptors on the cancerous tissue. Once located close to the diseased site a trigger mechanism...... for releasing the drug from the liposome interior is often needed. Several approaches have been suggested to work as release mechanisms such a pH changes, the presence of enzymes or external applied stimulus as heat or light. Chapter two deals with the synthesis of the functionalized phospholipids, which...

  6. Hybrid method of solution applied to simulation of pulse chromatography

    Directory of Open Access Journals (Sweden)

    M. A. Cremasco

    2009-06-01

    Full Text Available In this communication, the method proposed by Cremasco et al. (2003 is applied to predict single and low concentration pulse chromatography. In previous work, a general rate model was presented to describe the breakthrough curve, where a hybrid solution was proposed for the linear adsorption. The liquid phase concentration inside the particle was found analytically and related with the bed liquid phase through Duhamel's Theorem, while the bulk-phase equation was solved by a numerical method. In this paper, this method is applied to describe pulse chromatography of solutes that present linear adsorption isotherms. The simulated results of pulse chromatography are compared with experimental ones for aromatic amino acid experiments from literature.

  7. Towards Modelling and Simulation of Crowded Environments in Cell Biology

    Science.gov (United States)

    Bittig, Arne T.; Jeschke, Matthias; Uhrmacher, Adelinde M.

    2010-09-01

    In modelling and simulation of cell biological processes, spatial homogeneity in the distribution of components is a common but not always valid assumption. Spatial simulation methods differ in computational effort and accuracy, and usually rely on tool-specific input formats for model specification. A clear separation between modelling and simulation allows a declarative model specification thereby facilitating reuse of models and exploiting different simulators. We outline a modelling formalism covering both stochastic spatial simulation at the population level and simulation of individual entities moving in continuous space as well as the combination thereof. A multi-level spatial simulator is presented that combines populations of small particles simulated according to the Next Subvolume Method with individually represented large particles following Brownian motion. This approach entails several challenges that need to be overcome, but nicely balances between calculation effort and required levels of detail.

  8. Simulation of a modified neutron detector applied in CSNS

    Institute of Scientific and Technical Information of China (English)

    MA Zhong-Jian; WANG Qing-Bin; WU Qing-Biao

    2009-01-01

    We simulate the response of a modified Anderson-Braun rem counter in the energy range from thermal energy to about 10 GeV using the FLUKA code.Also,we simulate the lethargy spectrum of CSNS outside the beam dump.Traditional BFs tube is replaced by the 3He tube,a layer of 0.6 cm lead is added outside the boron doped plastic attenuator and a sphere configuration is adopted.The simulation result shows that its response is exactly fit to H*(10) in the neutron energies between 10 keV and approximately 1 GeV,although the monitor slightly underestimates H*(10) in the energy range from thermal energy to about 10 keV.According to the characteristics of the CSNS,this modified counter increases the neutron energy response by 30% compared with the traditional monitors,and it can be applied in other kinds of stray field rich of high energy neutrons.

  9. Dye Degradation by Fungi: An Exercise in Applied Science for Biology Students

    Science.gov (United States)

    Lefebvre, Daniel D.; Chenaux, Peter; Edwards, Maureen

    2005-01-01

    An easily implemented practical exercise in applied science for biology students is presented that uses fungi to degrade an azo-dye. This is an example of bioremediation, the employment of living organisms to detoxify or contain pollutants. Its interdisciplinary nature widens students' perspectives of biology by exposing them to a chemical…

  10. Nature preservation acceptance model applied to tanker oil spill simulations

    DEFF Research Database (Denmark)

    Friis-Hansen, Peter; Ditlevsen, Ove Dalager

    2003-01-01

    is exemplified by a study of oil spills due to simulated tanker collisions in the Danish straits. It is found that the distribution of the oil spill volume per spill is well represented by an exponential distribution both in Oeresund and in Great Belt. When applied in the Poisson model, a risk profile reasonably...... close to the standard lognormal profile is obtained. Moreover, based on data pairs (volume, cost) for world wide oil spills it is inferred that the conditional distribution of the costs given the spill volume is well modeled by a lognormal distribution. By unconditioning by the exponential distribution...... of the single oil spill, a risk profile for the costs is obtained that is indistinguishable from the standard lognormal risk profile.Finally the question of formulating a public risk acceptance criterion is addressed following Ditlevsen, and it is argued that a Nature Preservation Willingness Index can...

  11. 3rd congress on applied synthetic biology in Europe (Costa da Caparica, Portugal, February 2016).

    Science.gov (United States)

    Cueva, Miguel

    2017-03-25

    The third meeting organised by the European Federation of Biotechnology (EFB) on advances in Applied Synthetic Biotechnology in Europe (ASBE) was held in Costa da Caparica, Portugal, in February 2016. Abundant novel applications in synthetic biology were described in the six sessions of the meeting, which was divided into technology and tools for synthetic biology (I, II and III), bionanoscience, biosynthetic pathways and enzyme synthetic biology, and metabolic engineering and chemical manufacturing. The meeting presented numerous methods for the development of novel synthetic strains, synthetic biological tools and synthetic biology applications. With the aid of synthetic biology, production costs of chemicals, metabolites and food products are expected to decrease, by generating sustainable biochemical production of such resources. Also, such synthetic biological advances could be applied for medical purposes, as in pharmaceuticals and for biosensors. Recurrent, linked themes throughout the meeting were the shortage of resources, the world's transition into a bioeconomy, and how synthetic biology is helping tackle these issues through cutting-edge technologies. While there are still limitations in synthetic biology research, innovation is propelling the development of technology, the standardisation of synthetic biological tools and the use of suitable host organisms. These developments are laying a foundation to providing a future where cutting-edge research could generate potential solutions to society's pressing issues, thus incentivising a transition into a bioeconomy.

  12. A Calculus for Modelling, Simulating and Analysing Compartmentalized Biological Systems

    DEFF Research Database (Denmark)

    Mardare, Radu Iulian; Ihekwaba, Adoha

    2007-01-01

    A. Ihekwaba, R. Mardare. A Calculus for Modelling, Simulating and Analysing Compartmentalized Biological Systems. Case study: NFkB system. In Proc. of International Conference of Computational Methods in Sciences and Engineering (ICCMSE), American Institute of Physics, AIP Proceedings, N 2...

  13. Biology Students Building Computer Simulations Using StarLogo TNG

    Science.gov (United States)

    Smith, V. Anne; Duncan, Ishbel

    2011-01-01

    Confidence is an important issue for biology students in handling computational concepts. This paper describes a practical in which honours-level bioscience students simulate complex animal behaviour using StarLogo TNG, a freely-available graphical programming environment. The practical consists of two sessions, the first of which guides students…

  14. GPU-powered Simulation Methodologies for Biological Systems

    Directory of Open Access Journals (Sweden)

    Dario Pescini

    2013-09-01

    Full Text Available The study of biological systems witnessed a pervasive cross-fertilization between experimental investigation and computational methods. This gave rise to the development of new methodologies, able to tackle the complexity of biological systems in a quantitative manner. Computer algorithms allow to faithfully reproduce the dynamics of the corresponding biological system, and, at the price of a large number of simulations, it is possible to extensively investigate the system functioning across a wide spectrum of natural conditions. To enable multiple analysis in parallel, using cheap, diffused and highly efficient multi-core devices we developed GPU-powered simulation algorithms for stochastic, deterministic and hybrid modeling approaches, so that also users with no knowledge of GPUs hardware and programming can easily access the computing power of graphics engines.

  15. Research of the grid computing system applied in optical simulation

    Science.gov (United States)

    Jin, Wei-wei; Wang, Yu-dong; Liu, Qiangsheng; Cen, Zhao-feng; Li, Xiao-tong; Lin, Yi-qun

    2008-03-01

    A grid computing in the field of optics is presented in this paper. Firstly, the basic principles and research background of grid computing are outlined in this paper, along with the overview of its applications and the development status quo. The paper also discusses several typical tasks scheduling algorithms. Secondly, it focuses on describing a task scheduling of grid computing applied in optical computation. The paper gives details about the task scheduling system, including the task partition, granularity selection and tasks allocation, especially the structure of the system. In addition, some details of communication on grid computing are also illustrated. In this system, the "makespan" and "load balancing" are comprehensively considered. Finally, we build a grid model to test the task scheduling strategy, and the results are analyzed in detail. Compared to one isolated computer, a grid comprised of one server and four processors can shorten the "makespan" to 1/4. At the same time, the experimental results of the simulation also illustrate that the proposed scheduling system is able to balance loads of all processors. In short, the system performs scheduling well in the grid environment.

  16. Simulation of Interval Censored Data in Medical and Biological Studies

    Science.gov (United States)

    Kiani, Kaveh; Arasan, Jayanthi

    This research looks at the simulation of interval censored data when the survivor function of the survival time is known and attendance probability of the subjects for follow-ups can take any number between 0 to 1. Interval censored data often arise in the medical and biological follow-up studies where the event of interest occurs somewhere between two known times. Regardless of the methods used to analyze these types of data, simulation of interval censored data is an important and challenging step toward model building and prediction of survival time. The simulation itself is rather tedious and very computer intensive due to the interval monitoring of subjects at prescheduled times and subject's incomplete attendance to follow-ups. In this paper the simulated data by the proposed method were assessed using the bias, standard error and root mean square error (RMSE) of the parameter estimates where the survival time T is assumed to follow the Gompertz distribution function.

  17. On Designing Multicore-aware Simulators for Biological Systems

    CERN Document Server

    Aldinucci, Marco; Damiani, Ferruccio; Drocco, Maurizio; Torquati, Massimo; Troina, Angelo

    2010-01-01

    The stochastic simulation of biological systems is an increasingly popular technique in bioinformatics. It often is an enlightening technique, which may however result in being computational expensive. We discuss the main opportunities to speed it up on multi-core platforms, which pose new challenges for parallelisation techniques. These opportunities are developed in two general families of solutions involving both the single simulation and a bulk of independent simulations (either replicas of derived from parameter sweep). Proposed solutions are tested on the parallelisation of the CWC simulator (Calculus of Wrapped Compartments) that is carried out according to proposed solutions by way of the FastFlow programming framework making possible fast development and efficient execution on multi-cores.

  18. Sender-receiver systems and applying information theory for quantitative synthetic biology.

    Science.gov (United States)

    Barcena Menendez, Diego; Senthivel, Vivek Raj; Isalan, Mark

    2015-02-01

    Sender-receiver (S-R) systems abound in biology, with communication systems sending information in various forms. Information theory provides a quantitative basis for analysing these processes and is being applied to study natural genetic, enzymatic and neural networks. Recent advances in synthetic biology are providing us with a wealth of artificial S-R systems, giving us quantitative control over networks with a finite number of well-characterised components. Combining the two approaches can help to predict how to maximise signalling robustness, and will allow us to make increasingly complex biological computers. Ultimately, pushing the boundaries of synthetic biology will require moving beyond engineering the flow of information and towards building more sophisticated circuits that interpret biological meaning.

  19. Sender–receiver systems and applying information theory for quantitative synthetic biology

    Science.gov (United States)

    Barcena Menendez, Diego; Senthivel, Vivek Raj; Isalan, Mark

    2015-01-01

    Sender–receiver (S–R) systems abound in biology, with communication systems sending information in various forms. Information theory provides a quantitative basis for analysing these processes and is being applied to study natural genetic, enzymatic and neural networks. Recent advances in synthetic biology are providing us with a wealth of artificial S–R systems, giving us quantitative control over networks with a finite number of well-characterised components. Combining the two approaches can help to predict how to maximise signalling robustness, and will allow us to make increasingly complex biological computers. Ultimately, pushing the boundaries of synthetic biology will require moving beyond engineering the flow of information and towards building more sophisticated circuits that interpret biological meaning. PMID:25282688

  20. Foundational Elements of Applied Simulation Theory: Development and Implementation of a Longitudinal Simulation Educator Curriculum.

    Science.gov (United States)

    Chiu, Michelle; Posner, Glenn; Humphrey-Murto, Susan

    2017-01-27

    Simulation-based education has gained popularity, yet many faculty members feel inadequately prepared to teach using this technique. Fellowship training in medical education exists, but there is little information regarding simulation or formal educational programs therein. In our institution, simulation fellowships were offered by individual clinical departments. We recognized the need for a formal curriculum in educational theory. Kern's approach to curriculum development was used to develop, implement, and evaluate the Foundational Elements of Applied Simulation Theory (FEAST) curriculum. Needs assessments resulted in a 26-topic curriculum; each biweekly session built upon the previous. Components essential to success included setting goals and objectives for each interactive session and having dedicated faculty, collaborative leadership and administrative support for the curriculum. Evaluation data was collated and analyzed annually via anonymous feedback surveys, focus groups, and retrospective pre-post self-assessment questionnaires. Data collected from 32 fellows over five years of implementation showed that the curriculum improved knowledge, challenged thinking, and was excellent preparation for a career in simulation-based medical education. Themes arising from focus groups demonstrated that participants valued faculty expertise and the structure, practicality, and content of the curriculum. We present a longitudinal simulation educator curriculum that adheres to a well-described framework of curriculum development. Program evaluation shows that FEAST has increased participant knowledge in key areas relevant to simulation-based education and that the curriculum has been successful in meeting the needs of novice simulation educators. Insights and practice points are offered for educators wishing to implement a similar curriculum in their institution.

  1. Applying systems biology methods to the study of human physiology in extreme environments.

    Science.gov (United States)

    Edwards, Lindsay M; Thiele, Ines

    2013-03-22

    Systems biology is defined in this review as 'an iterative process of computational model building and experimental model revision with the aim of understanding or simulating complex biological systems'. We propose that, in practice, systems biology rests on three pillars: computation, the omics disciplines and repeated experimental perturbation of the system of interest. The number of ethical and physiologically relevant perturbations that can be used in experiments on healthy humans is extremely limited and principally comprises exercise, nutrition, infusions (e.g. Intralipid), some drugs and altered environment. Thus, we argue that systems biology and environmental physiology are natural symbionts for those interested in a system-level understanding of human biology. However, despite excellent progress in high-altitude genetics and several proteomics studies, systems biology research into human adaptation to extreme environments is in its infancy. A brief description and overview of systems biology in its current guise is given, followed by a mini review of computational methods used for modelling biological systems. Special attention is given to high-altitude research, metabolic network reconstruction and constraint-based modelling.

  2. FDTD Simulation of Exposure of Biological Material to Electromagnetic Nanopulses

    CERN Document Server

    Simicevic, N; Simicevic, Neven; Haynie, Donald T

    2004-01-01

    Ultra-wideband (UWB) electromagnetic pulses of nanosecond duration, or nanopulses, are of considerable interest to the communications industry and are being explored for various applications in biotechnology and medicine. The propagation of a nanopulse through biological matter has been computed in the time domain using the finite difference-time domain method (FDTD). The approach required existing Cole-Cole model-based descriptions of dielectric properties of biological matter to be re-parametrized using the Debye model, but without loss of accuracy. The approach has been applied to several tissue types. Results show that the electromagnetic field inside a biological tissue depends on incident pulse rise time and width. Rise time dominates pulse behavior inside a tissue as conductivity increases. It has also been found that the amount of energy deposited by 20 $kV/m$ nanopulses is insufficient to change the temperature of the exposed material for the pulse repetition rates of 1 $MHz$ or less.

  3. Simulations applied to the bright SHARC XCLF Results and implications

    CERN Document Server

    Ulmer, M P; Pildis, R A; Romer, A K; Nichol, R C; Holden, B P

    1999-01-01

    We have performed simulations of the effectiveness of the Serendipitous High-redshift Archival ROSAT Cluster (SHARC) survey for various model universes. We find, in agreement with work based on a preliminary set of simulations no statistically significant evolution of the luminosity function out to z = 0.8.

  4. Applying virtual environments to training and simulation (abstract)

    NARCIS (Netherlands)

    Jense, G.J.; Kuijper, F.

    1993-01-01

    Virtual environment (VE) technology is expected to make a big impact on future training and simulation systems. Direct stimulation of human-senses (eyesight, auditory, tactile) and new paradigms for user input will improve the realism of simulations and thereby the effectiveness of training systems.

  5. Program Applied Biology and Biotechnology. Annual report 1986. Programm Angewandte Biologie und Biotechnologie. Jahresbericht 1986

    Energy Technology Data Exchange (ETDEWEB)

    1987-01-01

    BMFT-funded research projects in 1986 on the sector 'Applied Biology and Biotechnology' are reviewed. The main fields of research were: Microbiological screening methods, waste water, refuse and soil microbiology, genetic engineering, cell cultures, development of new bioreactor systems, measurement and control, biocatalysts, plant cultivation, safety research, biosensory research, biomass utilisation.

  6. Program Applied Biology and Biotechnology. Annual report 1987. Programm Angewandte Biologie und Biotechnologie. Jahresbericht 1987

    Energy Technology Data Exchange (ETDEWEB)

    1988-01-01

    By order of the Federal Government, the Biology, Ecology, Energy Department (PBE) is responsible for the 3 sub-programs 'energy research and technologies', 'applied biology and biotechnology' and 'environmental research and technology'. This volume deals with the second-mentioned sub-program and briefly describes the projects supported by the Federal Government, specifically the objectives, working program, state of the studies, costs and share in the costs paid by the Federal Government. The following subdivision was made: 1. biological process engineering and enzyme technology, 2. cell culture and cell fusion technology, 3. genetic engineering and microbial technologies, 4. equivalent methods which can replace animal experiments, biological security, 5. plant genetics and protection, 6. promotion of focal points of activity, 7. indirect specific promotion, 8. new fields and overlapping activities in biotechnology, 9. regrowing raw materials. (RB).

  7. Photonic simulation method applied to the study of structural color in Myxomycetes.

    Science.gov (United States)

    Dolinko, Andrés; Skigin, Diana; Inchaussandague, Marina; Carmaran, Cecilia

    2012-07-02

    We present a novel simulation method to investigate the multicolored effect of the Diachea leucopoda (Physarales order, Myxomycetes class), which is a microorganism that has a characteristic pointillistic iridescent appearance. It was shown that this appearance is of structural origin, and is produced within the peridium -protective layer that encloses the mass of spores-, which is basically a corrugated sheet of a transparent material. The main characteristics of the observed color were explained in terms of interference effects using a simple model of homogeneous planar slab. In this paper we apply a novel simulation method to investigate the electromagnetic response of such structure in more detail, i.e., taking into account the inhomogeneities of the biological material within the peridium and its curvature. We show that both features, which could not be considered within the simplified model, affect the observed color. The proposed method is of great potential for the study of biological structures, which present a high degree of complexity in the geometrical shapes as well as in the materials involved.

  8. 2nd Congress on applied synthetic biology in Europe (Málaga, Spain, November 2013).

    Science.gov (United States)

    Vetter, Beatrice V; Pantidos, Nikolaos; Edmundson, Matthew

    2014-05-25

    The second meeting organised by the EFB on the advances of applied synthetic biology in Europe was held in Málaga, Spain in November 2013. The potential for the broad application of synthetic biology was reflected in the five sessions of this meeting: synthetic biology for healthcare applications, tools and technologies for synthetic biology, production of recombinant proteins, synthetic plant biology, and biofuels and other small molecules. Outcomes from the meeting were that synthetic biology offers methods for rapid development of new strains that will result in decreased production costs, sustainable chemical production and new medical applications. Additionally, it also introduced novel ways to produce sustainable energy and biofuels, to find new alternatives for bioremediation and resource recovery, and environmentally friendly foodstuff production. All the above-mentioned advances could enable biotechnology to solve some of the major problems of Society. However, while there are still limitations in terms of lacking tools, standardisation and suitable host organisms, this meeting has laid a foundation providing cutting-edge concepts and techniques to ultimately convert the potential of synthetic biology into practice.

  9. Reproducible computational biology experiments with SED-ML - The Simulation Experiment Description Markup Language

    Directory of Open Access Journals (Sweden)

    Waltemath Dagmar

    2011-12-01

    Full Text Available Abstract Background The increasing use of computational simulation experiments to inform modern biological research creates new challenges to annotate, archive, share and reproduce such experiments. The recently published Minimum Information About a Simulation Experiment (MIASE proposes a minimal set of information that should be provided to allow the reproduction of simulation experiments among users and software tools. Results In this article, we present the Simulation Experiment Description Markup Language (SED-ML. SED-ML encodes in a computer-readable exchange format the information required by MIASE to enable reproduction of simulation experiments. It has been developed as a community project and it is defined in a detailed technical specification and additionally provides an XML schema. The version of SED-ML described in this publication is Level 1 Version 1. It covers the description of the most frequent type of simulation experiments in the area, namely time course simulations. SED-ML documents specify which models to use in an experiment, modifications to apply on the models before using them, which simulation procedures to run on each model, what analysis results to output, and how the results should be presented. These descriptions are independent of the underlying model implementation. SED-ML is a software-independent format for encoding the description of simulation experiments; it is not specific to particular simulation tools. Here, we demonstrate that with the growing software support for SED-ML we can effectively exchange executable simulation descriptions. Conclusions With SED-ML, software can exchange simulation experiment descriptions, enabling the validation and reuse of simulation experiments in different tools. Authors of papers reporting simulation experiments can make their simulation protocols available for other scientists to reproduce the results. Because SED-ML is agnostic about exact modeling language(s used

  10. Modular Modelling and Simulation Approach - Applied to Refrigeration Systems

    DEFF Research Database (Denmark)

    Sørensen, Kresten Kjær; Stoustrup, Jakob

    2008-01-01

    This paper presents an approach to modelling and simulation of the thermal dynamics of a refrigeration system, specifically a reefer container. A modular approach is used and the objective is to increase the speed and flexibility of the developed simulation environment. The refrigeration system...... is divided into components where the inputs and outputs are described by a set of XML files that can be combined into a composite system model that may be loaded into MATLABtrade. A set of tools that allows the user to easily load the model and run a simulation are provided. The results show a simulation...... speed-up of more than a factor of three by partitioning the model into smaller parts, and thereby isolating fast and slow dynamics. As a cost there is a reduction in accuracy which in the example considered is less than one percent....

  11. A computational framework for particle and whole cell tracking applied to a real biological dataset.

    Science.gov (United States)

    Yang, Feng Wei; Venkataraman, Chandrasekhar; Styles, Vanessa; Kuttenberger, Verena; Horn, Elias; von Guttenberg, Zeno; Madzvamuse, Anotida

    2016-05-24

    Cell tracking is becoming increasingly important in cell biology as it provides a valuable tool for analysing experimental data and hence furthering our understanding of dynamic cellular phenomena. The advent of high-throughput, high-resolution microscopy and imaging techniques means that a wealth of large data is routinely generated in many laboratories. Due to the sheer magnitude of the data involved manual tracking is often cumbersome and the development of computer algorithms for automated cell tracking is thus highly desirable. In this work, we describe two approaches for automated cell tracking. Firstly, we consider particle tracking. We propose a few segmentation techniques for the detection of cells migrating in a non-uniform background, centroids of the segmented cells are then calculated and linked from frame to frame via a nearest-neighbour approach. Secondly, we consider the problem of whole cell tracking in which one wishes to reconstruct in time whole cell morphologies. Our approach is based on fitting a mathematical model to the experimental imaging data with the goal being that the physics encoded in the model is reflected in the reconstructed data. The resulting mathematical problem involves the optimal control of a phase-field formulation of a geometric evolution law. Efficient approximation of this challenging optimal control problem is achieved via advanced numerical methods for the solution of semilinear parabolic partial differential equations (PDEs) coupled with parallelisation and adaptive resolution techniques. Along with a detailed description of our algorithms, a number of simulation results are reported on. We focus on illustrating the effectivity of our approaches by applying the algorithms to the tracking of migrating cells in a dataset which reflects many of the challenges typically encountered in microscopy data.

  12. Evanescent planar waveguide detection of biological warfare simulants

    Science.gov (United States)

    Sipe, David M.; Schoonmaker, Kenneth P.; Herron, James N.; Mostert, Michael J.

    2000-04-01

    An evanescent planar waveguide Mark 1.5 instrument was used to detect simulants of biological warfare agents; ovalbumin (OV), MS2 bacteriophage, BG, and Erwinia herbicola (EH). Polyclonal tracer antibodies were labeled with the fluorescent dye, Cy5. Discrete bands of polyclonal capture antibodies were immobilized to a polystyrene planar waveguide with molded integral lenses. An ST-6 CCD camera was used for detection. OV. MS2 and BG were detected in a simultaneous 3 by 3 array; with a total of nine measurements within 6 minutes. EH was analyzed in a separate array. Results were evaluate dat the US Army Joint Field Trials V, at the Dugway Proving Grounds. Over a 10 day period, 32 unknown samples were analyzed daily for each simulant. Detection limits: OV 10 ng/ml, MS2 107 pfu/ml, BG 105 cfu/ml. EH was detectable at 5 X 105 cfu/ml. Overall false positives were 3.0 percent. Therefore, the Mark 1.5 instrument, with a parallel array of detectors, evanescent flourescent excitation, and CCD imaging provides for rapid, sensitive, and specific detection of biological warfare agent simulants.

  13. CHARMM-GUI Membrane Builder toward realistic biological membrane simulations.

    Science.gov (United States)

    Wu, Emilia L; Cheng, Xi; Jo, Sunhwan; Rui, Huan; Song, Kevin C; Dávila-Contreras, Eder M; Qi, Yifei; Lee, Jumin; Monje-Galvan, Viviana; Venable, Richard M; Klauda, Jeffery B; Im, Wonpil

    2014-10-15

    CHARMM-GUI Membrane Builder, http://www.charmm-gui.org/input/membrane, is a web-based user interface designed to interactively build all-atom protein/membrane or membrane-only systems for molecular dynamics simulations through an automated optimized process. In this work, we describe the new features and major improvements in Membrane Builder that allow users to robustly build realistic biological membrane systems, including (1) addition of new lipid types, such as phosphoinositides, cardiolipin (CL), sphingolipids, bacterial lipids, and ergosterol, yielding more than 180 lipid types, (2) enhanced building procedure for lipid packing around protein, (3) reliable algorithm to detect lipid tail penetration to ring structures and protein surface, (4) distance-based algorithm for faster initial ion displacement, (5) CHARMM inputs for P21 image transformation, and (6) NAMD equilibration and production inputs. The robustness of these new features is illustrated by building and simulating a membrane model of the polar and septal regions of E. coli membrane, which contains five lipid types: CL lipids with two types of acyl chains and phosphatidylethanolamine lipids with three types of acyl chains. It is our hope that CHARMM-GUI Membrane Builder becomes a useful tool for simulation studies to better understand the structure and dynamics of proteins and lipids in realistic biological membrane environments.

  14. A methodology for simulating biological systems using Microsoft Excel.

    Science.gov (United States)

    Brown, A M

    1999-02-01

    The objective of this present study was to develop a simple, easily understood methodology for solving biologically based models using a Microsoft Excel spreadsheet. The method involves the use of in-cell formulas in which Rows and Columns of new data are generated from data typed into the spreadsheet, but does not require any programming skills or use of the macro language. The approach involves entering the key parameter values into the spreadsheet and conducting the simulation by solving a set of equations based on these parameter values. The examples used in this paper are firstly, a simple voltage clamp simulation in which initial parameter values are used to calculate a system in steady state. The second example is a current clamp simulation where steady state is not reached and the solution of the equations for each time increment is used as the input for the next time increment in the simulation. The calculations are based on the Hodgkin Huxley mathematical equations that describe the voltage dependence of ion channel behavior. The problems and flexibility of the method are briefly discussed. The methodology developed in this present study should help novice modelers to create simple simulations without the need to learn a programming language or purchase expensive software.

  15. Computer simulations for biological aging and sexual reproduction

    Directory of Open Access Journals (Sweden)

    STAUFFER DIETRICH

    2001-01-01

    Full Text Available The sexual version of the Penna model of biological aging, simulated since 1996, is compared here with alternative forms of reproduction as well as with models not involving aging. In particular we want to check how sexual forms of life could have evolved and won over earlier asexual forms hundreds of million years ago. This computer model is based on the mutation-accumulation theory of aging, using bits-strings to represent the genome. Its population dynamics is studied by Monte Carlo methods.

  16. Simulation of the radiation effects on biological objects; Simulation der Strahlenwirkung auf biologische Objekte

    Energy Technology Data Exchange (ETDEWEB)

    Bug, Marion; Nettelbeck, Heidi [Physikalisch-Technische Bundesanstalt (PTB), Braunschweig (Germany). Arbeitsgruppe ' Biologische Wirksamkeit Ionisierender Strahlung'

    2013-06-15

    The simulation of biological radiation effects by means of the electron transport in water and DNA and the cross sections for elastic scattering, electronic excitation, and ionization in electron collisions with tetrahydrofuran molecules is described, whereby the strand-breaking probabilities are determined. (HSI)

  17. Simulation Applied to the Storage Capacity and Stockpiles

    Directory of Open Access Journals (Sweden)

    Andrea Alejandra Giubergia

    2016-05-01

    Full Text Available This investigation is focused on process based simulations. The simulation is carried out (using the FlexSim 7.3.0 software to a mining process including storage hoppers and haulage equipment in order to estimate the desirable truck fleet size and the capacity of the trucks and the hoppers as well as assessing whether the design of the access roads is acceptable for the success of the operations. It is concluded that the dimensions of the loading system has been overestimated compared to the existing equipment fleet size. Therefore, it is required to increase the number of trucks or the truck haulage capacity to improve the mine productivity.

  18. Applying a behavioural simulation for the collection of data

    DEFF Research Database (Denmark)

    Jespersen, Kristina Risom

    2005-01-01

    To collect real-time data as opposed to retrospective data requires new methodological traits. One possibility is the use of behavioral simulations that synthesize the self-administered questionnaire, experimental designs, role-playing and scenarios. Supported by Web technology this new data...... collection methodology proves itself valid and with high appeal to respondents....

  19. Modeling and Simulation Tools: From Systems Biology to Systems Medicine.

    Science.gov (United States)

    Olivier, Brett G; Swat, Maciej J; Moné, Martijn J

    2016-01-01

    Modeling is an integral component of modern biology. In this chapter we look into the role of the model, as it pertains to Systems Medicine, and the software that is required to instantiate and run it. We do this by comparing the development, implementation, and characteristics of tools that have been developed to work with two divergent methodologies: Systems Biology and Pharmacometrics. From the Systems Biology perspective we consider the concept of "Software as a Medical Device" and what this may imply for the migration of research-oriented, simulation software into the domain of human health.In our second perspective, we see how in practice hundreds of computational tools already accompany drug discovery and development at every stage of the process. Standardized exchange formats are required to streamline the model exchange between tools, which would minimize translation errors and reduce the required time. With the emergence, almost 15 years ago, of the SBML standard, a large part of the domain of interest is already covered and models can be shared and passed from software to software without recoding them. Until recently the last stage of the process, the pharmacometric analysis used in clinical studies carried out on subject populations, lacked such an exchange medium. We describe a new emerging exchange format in Pharmacometrics which covers the non-linear mixed effects models, the standard statistical model type used in this area. By interfacing these two formats the entire domain can be covered by complementary standards and subsequently the according tools.

  20. Applied simulation and optimization in logistics, industrial and aeronautical practice

    CERN Document Server

    Mota, Idalia; Serrano, Daniel

    2015-01-01

    Presenting techniques, case-studies and methodologies that combine the use of simulation approaches with optimization techniques for facing problems in manufacturing, logistics, or aeronautical problems, this book provides solutions to common industrial problems in several fields, which range from manufacturing to aviation problems, where the common denominator is the combination of simulation’s flexibility with optimization techniques’ robustness. Providing readers with a comprehensive guide to tackle similar issues in industrial environments, this text explores novel ways to face industrial problems through hybrid approaches (simulation-optimization) that benefit from the advantages of both paradigms, in order to give solutions to important problems in service industry, production processes, or supply chains, such as scheduling, routing problems and resource allocations, among others.

  1. STSE: Spatio-Temporal Simulation Environment Dedicated to Biology

    Directory of Open Access Journals (Sweden)

    Gerber Susanne

    2011-04-01

    Full Text Available Abstract Background Recently, the availability of high-resolution microscopy together with the advancements in the development of biomarkers as reporters of biomolecular interactions increased the importance of imaging methods in molecular cell biology. These techniques enable the investigation of cellular characteristics like volume, size and geometry as well as volume and geometry of intracellular compartments, and the amount of existing proteins in a spatially resolved manner. Such detailed investigations opened up many new areas of research in the study of spatial, complex and dynamic cellular systems. One of the crucial challenges for the study of such systems is the design of a well stuctured and optimized workflow to provide a systematic and efficient hypothesis verification. Computer Science can efficiently address this task by providing software that facilitates handling, analysis, and evaluation of biological data to the benefit of experimenters and modelers. Results The Spatio-Temporal Simulation Environment (STSE is a set of open-source tools provided to conduct spatio-temporal simulations in discrete structures based on microscopy images. The framework contains modules to digitize, represent, analyze, and mathematically model spatial distributions of biochemical species. Graphical user interface (GUI tools provided with the software enable meshing of the simulation space based on the Voronoi concept. In addition, it supports to automatically acquire spatial information to the mesh from the images based on pixel luminosity (e.g. corresponding to molecular levels from microscopy images. STSE is freely available either as a stand-alone version or included in the linux live distribution Systems Biology Operational Software (SB.OS and can be downloaded from http://www.stse-software.org/. The Python source code as well as a comprehensive user manual and video tutorials are also offered to the research community. We discuss main concepts

  2. Applying Simulation Method in Formulation of Gluten-Free Cookies

    Directory of Open Access Journals (Sweden)

    Nikitina Marina

    2017-01-01

    Full Text Available At present time priority direction in the development of new food products its developing of technology products for special purposes. These types of products are gluten-free confectionery products, intended for people with celiac disease. Gluten-free products are in demand among consumers, it needs to expand assortment, and improvement of quality indicators. At this article results of studies on the development of pastry products based on amaranth flour does not contain gluten. Study based on method of simulation recipes gluten-free confectionery functional orientation to optimize their chemical composition. The resulting products will allow to diversify and supplement the necessary nutrients diet for people with gluten intolerance, as well as for those who follow a gluten-free diet.

  3. Introduction to mathematical biology modeling, analysis, and simulations

    CERN Document Server

    Chou, Ching Shan

    2016-01-01

    This book is based on a one semester course that the authors have been teaching for several years, and includes two sets of case studies. The first includes chemostat models, predator-prey interaction, competition among species, the spread of infectious diseases, and oscillations arising from bifurcations. In developing these topics, readers will also be introduced to the basic theory of ordinary differential equations, and how to work with MATLAB without having any prior programming experience. The second set of case studies were adapted from recent and current research papers to the level of the students. Topics have been selected based on public health interest. This includes the risk of atherosclerosis associated with high cholesterol levels, cancer and immune interactions, cancer therapy, and tuberculosis. Readers will experience how mathematical models and their numerical simulations can provide explanations that guide biological and biomedical research. Considered to be the undergraduate companion to t...

  4. Monitoring Biological Modes in a Bioreactor Process by Computer Simulation

    Directory of Open Access Journals (Sweden)

    Samia Semcheddine

    2015-12-01

    Full Text Available This paper deals with the general framework of fermentation system modeling and monitoring, focusing on the fermentation of Escherichia coli. Our main objective is to develop an algorithm for the online detection of acetate production during the culture of recombinant proteins. The analysis the fermentation process shows that it behaves like a hybrid dynamic system with commutation (since it can be represented by 5 nonlinear models. We present a strategy of fault detection based on residual generation for detecting the different actual biological modes. The residual generation is based on nonlinear analytical redundancy relations. The simulation results show that the several modes that are occulted during the bacteria cultivation can be detected by residuals using a nonlinear dynamic model and a reduced instrumentation.

  5. Spectroscopic investigations of surface deposited biological warfare simulants

    Science.gov (United States)

    Barrington, Stephen J.; Bird, Hilary; Hurst, Daniel; McIntosh, Alastair J. S.; Spencer, Phillippa; Pelfrey, Suzanne H.; Baker, Matthew J.

    2012-06-01

    This paper reports a proof-of-principle study aimed at discriminating biological warfare (BW) simulants from common environmental bacteria in order to differentiate pathogenic endospores in situ, to aid any required response for hazard management. We used FTIR spectroscopy combined with multivariate analysis; FTIR is a versatile technique for the non-destructive analysis of a range of materials. We also report an evaluation of multiple pre-processing techniques and subsequent differences in cross-validation accuracy of two pattern recognition models (Support Vector Machines (SVM) and Principal Component - Linear Discriminant Analysis (PC-LDA)) for two classifications: a two class classification (Gram + ve spores vs. Gram -ve vegetative cells) and a six class classification (bacterial classification). Six bacterial strains Bacillus atrophaeus, Bacillus thuringiensis var. kurstaki, Bacillus thuringiensis, Escherichia coli, Pantaeoa agglomerans and Pseudomonas fluorescens were analysed.

  6. What is regenerative medicine? Emergence of applied stem cell and developmental biology.

    Science.gov (United States)

    Mironov, V; Visconti, R P; Markwald, R R

    2004-06-01

    Regenerative medicine is an emerging, but still poorly defined, field of biomedicine. The ongoing 'regenerative medicine revolution' is based on a series of new exciting breakthrough discoveries in the field of stem cell biology and developmental biology. The main problem of regenerative medicine is not so much stem cell differentiation, isolation and lineage diversity, although these are very important issues, but rather stem cell mobilisation, recruitment and integration into functional tissues. The key issue in enhancing tissue and organ regeneration is how to mobilise circulating stem and progenitor cells and how to provide an appropriate environment ('niche') for their tissue and organo-specific recruitment, 'homing' and complete functional integration. We need to know more about basic tissue biology, tissue regeneration and the cellular and molecular mechanisms of tissue turnover (both cellular and extracellular components) at different periods of human life and in different diseases. Systematic in silico, in vitro and in vivo research is a foundation for further progress in regenerative medicine. Regenerative medicine is a rapidly advancing field that opens new and exciting opportunities for completely revolutionary therapeutic modalities and technologies. Regenerative medicine is, at its essence, an emergence of applied stem cell and developmental biology.

  7. Applying computer simulation models as learning tools in fishery management

    Science.gov (United States)

    Johnson, B.L.

    1995-01-01

    Computer models can be powerful tools for addressing many problems in fishery management, but uncertainty about how to apply models and how they should perform can lead to a cautious approach to modeling. Within this approach, we expect models to make quantitative predictions but only after all model inputs have been estimated from empirical data and after the model has been tested for agreement with an independent data set. I review the limitations to this approach and show how models can be more useful as tools for organizing data and concepts, learning about the system to be managed, and exploring management options. Fishery management requires deciding what actions to pursue to meet management objectives. Models do not make decisions for us but can provide valuable input to the decision-making process. When empirical data are lacking, preliminary modeling with parameters derived from other sources can help determine priorities for data collection. When evaluating models for management applications, we should attempt to define the conditions under which the model is a useful, analytical tool (its domain of applicability) and should focus on the decisions made using modeling results, rather than on quantitative model predictions. I describe an example of modeling used as a learning tool for the yellow perch Perca flavescens fishery in Green Bay, Lake Michigan.

  8. Simulated microgravity affects some biological characteristics of Lactobacillus acidophilus.

    Science.gov (United States)

    Shao, Dongyan; Yao, Linbo; Riaz, Muhammad Shahid; Zhu, Jing; Shi, Junling; Jin, Mingliang; Huang, Qingsheng; Yang, Hui

    2017-04-01

    The effects of weightlessness on enteric microorganisms have been extensively studied, but have mainly been focused on pathogens. As a major component of the microbiome of the human intestinal tract, probiotics are important to keep the host healthy. Accordingly, understanding their changes under weightlessness conditions has substantial value. This study was carried out to investigate the characteristics of Lactobacillus acidophilus, a typical probiotic for humans, under simulated microgravity (SMG) conditions. The results revealed that SMG had no significant impact on the morphology of L. acidophilus, but markedly shortened its lag phase, enhanced its growth rate, acid tolerance ability up to pH acidophilus to cefalexin, sulfur gentamicin, and sodium penicillin. No obvious effect of SMG was observed on the adhesion ability of L. acidophilus to Caco-2 cells. Moreover, after SMG treatment, both the culture of L. acidophilus and its liquid phase exhibited higher antibacterial activity against S. typhimurium and S. aureus in a time-dependent manner. The SMG treatment also increased the in vitro cholesterol-lowering ability of L. acidophilus by regulating the expression of the key cholesterol metabolism genes CYP7A1, ABCB11, LDLR, and HMGCR in the HepG2 cell line. Thus, the SMG treatment did have considerable influence on some biological activities and characteristics of L. acidophilus related to human health. These findings provided valuable information for understanding the influence of probiotics on human health under simulated microgravity conditions, at least.

  9. Phosphorus recycling potential assessment by a biological test applied to wastewater sludge.

    Science.gov (United States)

    Braak, Etienne; Auby, Sarah; Piveteau, Simon; Guilayn, Felipe; Daumer, Marie-Line

    2016-01-01

    Phosphorus (P) recycling as mineral fertilizer from wastewater activated sludge (WAS) depends on the amount that can be dissolved and separated from the organic matter before the final crystallization step. The aim of the biological phosphorus dissolution potential (BPDP) test developed here was to assess the maximum amount of P that could be biologically released from WAS prior that the liquid phase enters the recovery process. It was first developed for sludge combining enhanced biological phosphorus removal and iron chloride. Because carbohydrates are known to induce acidification during the first stage of anaerobic digestion, sucrose was used as a co-substrate. Best results were obtained after 24-48 h, without inoculum, with a sugar/sludge ratio of 0.5 gCOD/gVS and under strict anaerobic conditions. Up to 75% of the total phosphorus in sludge from a wastewater treatment plant combining enhanced biological phosphorus removal and iron chloride phosphorus removal could be dissolved. Finally, the test was applied to assess BPDP from different sludge using alum compounds for P removal. No dissolution was observed when alum polychloride was used and less than 20% when alum sulphate was used. In all the cases, comparison to chemical acidification showed that the biological process was a major contributor to P dissolution. The possibility to crystallize struvite was discussed from the composition of the liquids obtained. The BPDP will be used not only to assess the potential for phosphorus recycling from sludge, but also to study the influence of the co-substrates available for anaerobic digestion of sludge.

  10. Computer Simulation and Data Analysis in Molecular Biology and Biophysics An Introduction Using R

    CERN Document Server

    Bloomfield, Victor

    2009-01-01

    This book provides an introduction, suitable for advanced undergraduates and beginning graduate students, to two important aspects of molecular biology and biophysics: computer simulation and data analysis. It introduces tools to enable readers to learn and use fundamental methods for constructing quantitative models of biological mechanisms, both deterministic and with some elements of randomness, including complex reaction equilibria and kinetics, population models, and regulation of metabolism and development; to understand how concepts of probability can help in explaining important features of DNA sequences; and to apply a useful set of statistical methods to analysis of experimental data from spectroscopic, genomic, and proteomic sources. These quantitative tools are implemented using the free, open source software program R. R provides an excellent environment for general numerical and statistical computing and graphics, with capabilities similar to Matlab®. Since R is increasingly used in bioinformat...

  11. Teaching Fluid Mechanics for Undergraduate Students in Applied Industrial Biology: from Theory to Atypical Experiments

    CERN Document Server

    Absi, Rafik; Dufour, Florence; Huet, Denis; Bennacer, Rachid; Absi, Tahar

    2011-01-01

    EBI is a further education establishment which provides education in applied industrial biology at level of MSc engineering degree. Fluid mechanics at EBI was considered by students as difficult who seemed somewhat unmotivated. In order to motivate them, we applied a new play-based pedagogy. Students were asked to draw inspiration from everyday life situations to find applications of fluid mechanics and to do experiments to verify and validate some theoretical results obtained in course. In this paper, we present an innovative teaching/learning pedagogy which includes the concept of learning through play and its implications in fluid mechanics for engineering. Examples of atypical experiments in fluid mechanics made by students are presented. Based on teaching evaluation by students, it is possible to know how students feel the course. The effectiveness of this approach to motivate students is presented through an analysis of students' teaching assessment. Learning through play proved a great success in fluid...

  12. Biological stimulation of the Human skin applying health promoting light and plasma sources

    Energy Technology Data Exchange (ETDEWEB)

    Awakowicz, P.; Bibinov, N. [Center for Plasma Science and Technology, Ruhr-University, Bochum (Germany); Born, M.; Niemann, U. [Philips Research, Aachen (Germany); Busse, B. [Zell-Kontakt GmbH, Noerten-Hardenberg (Germany); Gesche, R.; Kuehn, S.; Porteanu, H.E. [Ferdinand-Braun-Institut fuer Hoechstfrequenztechnik, Berlin (Germany); Helmke, A. [University of Applied Sciences and Arts, Goettingen (Germany); Kaemling, A.; Wandke, D. [CINOGY GmbH, Duderstadt (Germany); Kolb-Bachofen, V.; Liebmann, J. [Institute for Immunobiology, Heinrich-Heine University, Duesseldorf (Germany); Kovacs, R.; Mertens, N.; Scherer, J. [Aurion Anlagentechnik GmbH, Seligenstadt (Germany); Oplaender, C.; Suschek, C. [Clinic for Plastic Surgery, University Clinic, Aachen (Germany); Vioel, W. [Laser-Laboratorium, Goettingen (Germany); University of Applied Sciences and Arts, Goettingen (Germany)

    2009-10-15

    In the frame of BMBF project ''BioLiP'', new physical treatment techniques aiming at medical treatment of the human skin have been developed. The acronym BioLiP stands for ''Desinfektion, Entkeimung und biologische Stimulation der Haut durch gesundheitsfoerdernde Licht- und Plasmaquellen'' (Disinfection, germ reduction and biological stimulation of the human skin by health promoting light and plasma sources). A source applying a low-temperature dielectric barrier discharge plasma (DBD) has been investigated on its effectiveness for skin disinfection and stimulation of biological material. Alternatively an atmospheric plasma source consisting of a microwave resonator combined with a solid state power oscillator has been examined. This concept which allows for a compact and efficient design avoiding external microwave power supply and matching units has been optimized with respect to nitrogen monoxide (NO) production in high yields. In both cases various application possibilities in the medical and biological domain are opened up. Light sources in the visible spectral range have been investigated with respect to the proliferation of human cell types. Intensive highly selective blue light sources based on LED technology can slow down proliferation rates without inducing toxic effects which offers new opportunities for treatments of so-called hyperproliferative skin conditions (e.g. with psoriasis or in wound healing) using UV-free light. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  13. Finite element simulation for the mechanical characterization of soft biological materials by atomic force microscopy.

    Science.gov (United States)

    Valero, C; Navarro, B; Navajas, D; García-Aznar, J M

    2016-09-01

    The characterization of the mechanical properties of soft materials has been traditionally performed through uniaxial tensile tests. Nevertheless, this method cannot be applied to certain extremely soft materials, such as biological tissues or cells that cannot be properly subjected to these tests. Alternative non-destructive tests have been designed in recent years to determine the mechanical properties of soft biological tissues. One of these techniques is based on the use of atomic force microscopy (AFM) to perform nanoindentation tests. In this work, we investigated the mechanical response of soft biological materials to nanoindentation with spherical indenters using finite element simulations. We studied the responses of three different material constitutive laws (elastic, isotropic hyperelastic and anisotropic hyperelastic) under the same process and analyzed the differences thereof. Whereas linear elastic and isotropic hyperelastic materials can be studied using an axisymmetric simplification, anisotropic hyperelastic materials require three-dimensional analyses. Moreover, we established the limiting sample size required to determine the mechanical properties of soft materials while avoiding boundary effects. Finally, we compared the results obtained by simulation with an estimate obtained from Hertz theory. Hertz theory does not distinguish between the different material constitutive laws, and thus, we proposed corrections to improve the quantitative measurement of specific material properties by nanoindentation experiments.

  14. Process efficiency simulation for key process parameters in biological methanogenesis

    Directory of Open Access Journals (Sweden)

    Sébastien Bernacchi

    2014-09-01

    Full Text Available New generation biofuels are a suitable approach to produce energy carriers in an almost CO2 neutral way. A promising reaction is the conversion of CO2 and H2 to CH4. This contribution aims at elucidating a bioprocess comprised of a core reaction unit using microorganisms from the Archaea life domain, which metabolize CO2 and H2 to CH4, followed by a gas purification step. The process is simulated and analyzed thermodynamically using the Aspen Plus process simulation environment. The goal of the study was to quantify effects of process parameters on overall process efficiency using a kinetic model derived from previously published experimental results. The used empirical model links the production rate of CH4 and biomass to limiting reactant concentrations. In addition, Aspen Plus was used to improve bioprocess quantification. Impacts of pressure as well as dilution of reactant gas with up to 70% non-reactive gas on overall process efficiency was evaluated. Pressure in the reactor unit of 11 bar at 65℃ with a pressure of 21 bar for gas purification led to an overall process efficiency comprised between 66% and 70% for gaseous product and between 73% and 76% if heat of compression is considered a valuable product. The combination of 2 bar pressure in the reactor and 21 bar for purification was the most efficient combination of parameters. This result shows Aspen Plus potential for similar bioprocess development as it accounts for the energetic aspect of the entire process. In fact, the optimum for the overall process efficiency was found to differ from the optimum of the reaction unit. High efficiency of over 70% demonstrates that biological methanogenesis is a promising alternative for a chemical methanation reaction.

  15. Simulations in statistical physics and biology: some applications

    CERN Document Server

    Monsivais-Alonso, M P

    2006-01-01

    One of the most active areas of physics in the last decades has been that of critical phenomena, and Monte Carlo simulations have played an important role as a guide for the validation and prediction of system properties close to the critical points. The kind of phase transitions occurring for the Betts lattice (lattice constructed removing 1/7 of the sites from the triangular lattice) have been studied before with the Potts model for the values q=3, ferromagnetic and antiferromagnetic regime. Here, we add up to this research line the ferromagnetic case for q=4 and 5. In the first case, the critical exponents are estimated for the second order transition, whereas for the latter case the histogram method is applied for the occurring first order transition. Additionally, Domany's Monte Carlo based clustering technique mainly used to group genes similar in their expression levels is reviewed. Finally, a control theory tool --an adaptive observer-- is applied to estimate the exponent parameter involved in the wel...

  16. CFD Simulation of Fouling by Biological materials in Membrane Bioreactor

    Directory of Open Access Journals (Sweden)

    Raziye, Ahmadi

    2016-06-01

    Full Text Available In recent years membrane bioreactors filtration is increasingly used in wastewater treatment to enhance the quality of wastewater. The main problem in preventing the widespread use of membrane bioreactor is its congestion which has a severe impact on output flux to time ratio. If solid suspensions with high concentrations exist in the wastewater, this influence will be even more severe. In addition to the suspended solids in the liquid mixture, Extracellular polymeric materials (EPS and soluble microbial products (SMP are also known as basic microbial products that cause membrane fouling. EPS can be calculated within and on the membrane which increases the viscosity of suspended solids in the liquid mixture and increases filtration resistance. SMPs cannot penetrate the pores of the ultra filtration membrane due to the limited size of the pores which would cause fouling in membrane processes. According to the above issues, providing a model that indicates the properties and conditions of formation and destruction of SMP and EPS at the same time seems necessary. In this paper, CFD simulation of biological fouling in membrane bioreactor is provided using Fluent software.

  17. Effects of Simulated Rare Earth Recycling Wastewaters on Biological Nitrification.

    Science.gov (United States)

    Fujita, Yoshiko; Barnes, Joni; Eslamimanesh, Ali; Lencka, Malgorzata M; Anderko, Andrzej; Riman, Richard E; Navrotsky, Alexandra

    2015-08-18

    Increasing rare earth element (REE) supplies by recycling and expanded ore processing will result in generation of new wastewaters. In some cases, disposal to a sewage treatment plant may be favored, but plant performance must be maintained. To assess the potential effects of such wastewaters on biological treatment, model nitrifying organisms Nitrosomonas europaea and Nitrobacter winogradskyi were exposed to simulated wastewaters containing varying levels of yttrium or europium (10, 50, and 100 ppm), and the extractant tributyl phosphate (TBP, at 0.1 g/L). Y and Eu additions at 50 and 100 ppm inhibited N. europaea, even when virtually all of the REE was insoluble. Provision of TBP with Eu increased N. europaea inhibition, although TBP alone did not substantially alter activity. For N. winogradskyi cultures, Eu or Y additions at all tested levels induced significant inhibition, and nitrification shut down completely with TBP addition. REE solubility was calculated using the previously developed MSE (Mixed-Solvent Electrolyte) thermodynamic model. The model calculations reveal a strong pH dependence of solubility, typically controlled by the precipitation of REE hydroxides but also likely affected by the formation of unknown phosphate phases, which determined aqueous concentrations experienced by the microorganisms.

  18. Applying complex models to poultry production in the future--economics and biology.

    Science.gov (United States)

    Talpaz, H; Cohen, M; Fancher, B; Halley, J

    2013-09-01

    The ability to determine the optimal broiler feed nutrient density that maximizes margin over feeding cost (MOFC) has obvious economic value. To determine optimal feed nutrient density, one must consider ingredient prices, meat values, the product mix being marketed, and the projected biological performance. A series of 8 feeding trials was conducted to estimate biological responses to changes in ME and amino acid (AA) density. Eight different genotypes of sex-separate reared broilers were fed diets varying in ME (2,723-3,386 kcal of ME/kg) and AA (0.89-1.65% digestible lysine with all essential AA acids being indexed to lysine) levels. Broilers were processed to determine carcass component yield at many different BW (1.09-4.70 kg). Trial data generated were used in model constructed to discover the dietary levels of ME and AA that maximize MOFC on a per broiler or per broiler annualized basis (bird × number of cycles/year). The model was designed to estimate the effects of dietary nutrient concentration on broiler live weight, feed conversion, mortality, and carcass component yield. Estimated coefficients from the step-wise regression process are subsequently used to predict the optimal ME and AA concentrations that maximize MOFC. The effects of changing feed or meat prices across a wide spectrum on optimal ME and AA levels can be evaluated via parametric analysis. The model can rapidly compare both biological and economic implications of changing from current practice to the simulated optimal solution. The model can be exploited to enhance decision making under volatile market conditions.

  19. Perspective on "New and Less New Opportunities For Mathematical Biology as Applied To Biological and Clinical Medicine"

    OpenAIRE

    Clairambault, Jean

    2014-01-01

    International audience; Another conception that makes applications of mathematics quite different from applications of mathematics to sole biology resides in the interventionist nature of medicine ...

  20. Applying GIS and high performance agent-based simulation for managing an Old World Screwworm fly invasion of Australia.

    Science.gov (United States)

    Welch, M C; Kwan, P W; Sajeev, A S M

    2014-10-01

    Agent-based modelling has proven to be a promising approach for developing rich simulations for complex phenomena that provide decision support functions across a broad range of areas including biological, social and agricultural sciences. This paper demonstrates how high performance computing technologies, namely General-Purpose Computing on Graphics Processing Units (GPGPU), and commercial Geographic Information Systems (GIS) can be applied to develop a national scale, agent-based simulation of an incursion of Old World Screwworm fly (OWS fly) into the Australian mainland. The development of this simulation model leverages the combination of massively data-parallel processing capabilities supported by NVidia's Compute Unified Device Architecture (CUDA) and the advanced spatial visualisation capabilities of GIS. These technologies have enabled the implementation of an individual-based, stochastic lifecycle and dispersal algorithm for the OWS fly invasion. The simulation model draws upon a wide range of biological data as input to stochastically determine the reproduction and survival of the OWS fly through the different stages of its lifecycle and dispersal of gravid females. Through this model, a highly efficient computational platform has been developed for studying the effectiveness of control and mitigation strategies and their associated economic impact on livestock industries can be materialised.

  1. Distinguishing Pattern Formation Phenotypes: Applying Minkowski Functionals to Cell Biology Systems

    Science.gov (United States)

    Rericha, Erin; Guven, Can; Parent, Carole; Losert, Wolfgang

    2011-03-01

    Spatial Clustering of proteins within cells or cells themselves frequently occur in cell biology systems. However quantifying the underlying order and determining the regulators of these cluster patterns have proved difficult due to the inherent high noise levels in the systems. For instance the patterns formed by wild type and cyclic-AMP regulatory mutant Dictyostelium cells are visually distinctive, yet the large error bars in measurements of the fractal number, area, Euler number, eccentricity, and wavelength making it difficult to quantitatively distinguish between the patterns. We apply a spatial analysis technique based on Minkowski functionals and develop metrics which clearly separate wild type and mutant cell lines into distinct categories. Having such a metric facilitated the development of a computational model for cellular aggregation and its regulators. Supported by NIH-NGHS Nanotechnology (R01GM085574) and the Burroughs Wellcome Fund.

  2. Reduction of Biological Sludge Production Applying an Alternating Oxic/anoxic Process in Water Line.

    Science.gov (United States)

    Eusebi, Anna Laura; Panigutti, Maximiliano; Battistoni, Paolo

    2016-06-01

    Alternating oxic/anoxic process, applied for the main objective of the improvement of nitrogen performances, was studied in terms of secondary effect of biomass reduction. The process was carried out in one real water resource recovery facility and the data were compared with the previous conventional period when a conventional process was adopted. The main mechanism of the process for the sludge minimization is recognized in the metabolic uncoupling. In fact, an increase of the specific oxygen uptake rate in the biological reactor was recorded stimulated by the change of the oxidation reduction potential environment. Moreover, the heterotrophic growth yield was measured equal to 0.385 kgVSS/kgCOD. The global percentage of reduction was tested with the mass balance of solids. The process is able to decrease the observed sludge yield up to 20%. The specific energy consumption was evaluated.

  3. Simulating the fate of fall- and spring-applied poultry litter nitrogen in corn production

    Science.gov (United States)

    Monitoring the fate of N derived from manures applied to fertilize crops is difficult, time consuming, and relatively expensive. But computer simulation models can help understand the interactions among various N processes in the soil-plant system and determine the fate of applied N. The RZWQM2 was ...

  4. Perspectives on low voltage transmission electron microscopy as applied to cell biology.

    Science.gov (United States)

    Bendayan, Moise; Paransky, Eugene

    2014-12-01

    Low voltage transmission electron microscopy (LVTEM) with accelerating voltages as low as 5 kV was applied to cell biology. To take advantage of the increased contrast given by LVTEM, tissue preparation was modified omitting all heavy metals such as osmium, uranium, and lead from the fixation, on block staining and counterstaining. Nonstained ultra-thin tissue sections (40 nm thick) generated highly contrasted images. While the aspect of the cells remains similar to that obtained by conventional TEM, some new substructures were revealed. The pancreatic acinar cells granules present a heterogeneous matrix with partitions corresponding to segregation of their different secretory proteins. Microvilli display their core of microfilaments anchored to the dense top membrane. Mitochondria revealed the presence of distinct particles along their cristea membranes that may correspond to the ATP synthase complexes or oxysomes. The dense nuclear chromatin displays a honey-comb appearance while distinct beads aligned along thin threads were seen in the dispersed chromatin. These new features revealed by LVTEM correlate with structures described or predicted through other approaches. Masking effects due to thickness of the tissue sections and to the presence of heavy metals must have prevented their observation by conventional TEM. Furthermore, the immunogold was adapted to LVTEM revealing nuclear lamin-A at the edge of the dense chromatin ribbons. Combining cytochemistry with LVTEM brings additional advantages to this new approach in cell biology.

  5. RNA SAMPLE PREPARATION APPLIED TO GENE EXPRESSION PROFILING FOR THE HORSE BIOLOGICAL PASSPORT.

    Science.gov (United States)

    Bailly-Chouriberry, Ludovic; Baudoin, Florent; Cormant, Florence; Glavieux, Yohan; Loup, Benoit; Garcia, Patrice; Popot, Marie-Agnès; Bonnaire, Yves

    2017-04-05

    The improvement of doping control is an on-going race. Techniques to fight against doping are usually based on the direct detection of drugs or their metabolites by analytical methods such as chromatography hyphenated to mass spectrometry after ad hoc sample preparation. Nowadays, omic methods constitute an attractive development and advances have been achieved particularly by application of molecular biology tools for detection of anabolic androgenic steroids (AAS), erythropoiesis-stimulating agent (ESA) or to control human growth hormone misuses. These interesting results across different animal species have suggested that modification of gene expression offers promising new methods of improving the window of detection of banned substances by targeting their effects on blood cell gene expression. In this context, the present study describes the possibility of using a modified version of the dedicated Human IVD (in vitro Diagnostics) PAXgene® Blood RNA Kit for horse gene expression analysis in blood collected on PAXgene® tubes applied to the Horse Biological Passport. The commercial kit was only approved for human blood samples and has required an optimization of specific technical requirements for equine blood samples. Improvements and recommendations were achieved for sample collection, storage and RNA extraction procedure. Following these developments, RNA yield and quality were demonstrated to be suitable for downstream gene expression analysis by qPCR techniques.

  6. How can we improve problem-solving in undergraduate biology? Applying lessons from 30 years of physics education research

    CERN Document Server

    Hoskinson, Anne-Marie; Knight, Jennifer K

    2012-01-01

    Modern biological problems are complex. If students are to successfully grapple with such problems as scientists and citizens, they need to have practiced solving authentic, complex problems during their undergraduate years. Physics education researchers have investigated student problem-solving for the last three decades. Although the surface features and content of biology problems differ from physics problems, teachers of both sciences want students to learn to explain patterns and processes in the natural world and to make predictions about system behaviors. After surveying literature on problem-solving in physics and biology, we propose how biology education researchers could apply research-supported pedagogical techniques from physics to enhance biology students' problem-solving. First, we characterize the problems that biology students are typically asked to solve. We then describe the development of research-validated physics problem-solving curricula. Finally, we propose how biology scholars can appl...

  7. First steps in computational systems biology: A practical session in metabolic modeling and simulation.

    Science.gov (United States)

    Reyes-Palomares, Armando; Sánchez-Jiménez, Francisca; Medina, Miguel Ángel

    2009-05-01

    A comprehensive understanding of biological functions requires new systemic perspectives, such as those provided by systems biology. Systems biology approaches are hypothesis-driven and involve iterative rounds of model building, prediction, experimentation, model refinement, and development. Developments in computer science are allowing for ever faster numerical simulations of mathematical models. Mathematical modeling plays an essential role in new systems biology approaches. As a complex, integrated system, metabolism is a suitable topic of study for systems biology approaches. However, up until recently, this topic has not been properly covered in biochemistry courses. This communication reports the development and implementation of a practical lesson plan on metabolic modeling and simulation.

  8. Process simulation during the design process makes the difference : Process simulations applied to a traditional design

    NARCIS (Netherlands)

    Traversari, R.; Goedhart, R.; Schraagen, J.M.C.

    2013-01-01

    Objective: The objective is evaluation of a traditionally designed operating room using simulation of various surgical workflows. Background: A literature search showed that there is no evidence for an optimal operating room layout regarding the position and size of an ultraclean ventilation (UCV) c

  9. Process simulation during the design process makes the difference: process simulations applied to a traditional design

    NARCIS (Netherlands)

    Traversari, R.; Goedhart, R.; Schraagen, J.M.C.

    2013-01-01

    Objective: The objective is evaluation of a traditionally designed operating room using simulation of various surgical workflows.Background: A literature search showed that there is no evidence for an optimal operating room layout regarding the position and size of an ultraclean ventilation (UCV) ca

  10. A Friendly-Biological Reactor SIMulator (BioReSIM for studying biological processes in wastewater treatment processes

    Directory of Open Access Journals (Sweden)

    Raul Molina

    2014-12-01

    Full Text Available Biological processes for wastewater treatments are inherently dynamic systems because of the large variations in the influent wastewater flow rate, concentration composition and the adaptive behavior of the involved microorganisms. Moreover, the sludge retention time (SRT is a critical factor to understand the bioreactor performances when changes in the influent or in the operation conditions take place. Since SRT are usually in the range of 10-30 days, the performance of biological reactors needs a long time to be monitored in a regular laboratory demonstration, limiting the knowledge that can be obtained in the experimental lab practice. In order to overcome this lack, mathematical models and computer simulations are useful tools to describe biochemical processes and predict the overall performance of bioreactors under different working operation conditions and variations of the inlet wastewater composition. The mathematical solution of the model could be difficult as numerous biochemical processes can be considered. Additionally, biological reactors description (mass balance, etc. needs models represented by partial or/and ordinary differential equations associated to algebraic expressions, that require complex computational codes to obtain the numerical solutions. Different kind of software for mathematical modeling can be used, from large degree of freedom simulators capable of free models definition (as AQUASIM, to closed predefined model structure programs (as BIOWIN. The first ones usually require long learning curves, whereas the second ones could be excessively rigid for specific wastewater treatment systems. As alternative, we present Biological Reactor SIMulator (BioReSIM, a MATLAB code for the simulation of sequencing batch reactors (SBR and rotating biological contactors (RBC as biological systems of suspended and attached biomass for wastewater treatment, respectively. This BioReSIM allows the evaluation of simple and complex

  11. Difficulties in applying numerical simulations to an evaluation of occupational hazards caused by electromagnetic fields.

    Science.gov (United States)

    Zradziński, Patryk

    2015-01-01

    Due to the various physical mechanisms of interaction between a worker's body and the electromagnetic field at various frequencies, the principles of numerical simulations have been discussed for three areas of worker exposure: to low frequency magnetic field, to low and intermediate frequency electric field and to radiofrequency electromagnetic field. This paper presents the identified difficulties in applying numerical simulations to evaluate physical estimators of direct and indirect effects of exposure to electromagnetic fields at various frequencies. Exposure of workers operating a plastic sealer have been taken as an example scenario of electromagnetic field exposure at the workplace for discussion of those difficulties in applying numerical simulations. The following difficulties in reliable numerical simulations of workers' exposure to the electromagnetic field have been considered: workers' body models (posture, dimensions, shape and grounding conditions), working environment models (objects most influencing electromagnetic field distribution) and an analysis of parameters for which exposure limitations are specified in international guidelines and standards.

  12. Difficulties in applying numerical simulations to an evaluation of occupational hazards caused by electromagnetic fields

    OpenAIRE

    Zradziński, Patryk

    2015-01-01

    Due to the various physical mechanisms of interaction between a worker's body and the electromagnetic field at various frequencies, the principles of numerical simulations have been discussed for three areas of worker exposure: to low frequency magnetic field, to low and intermediate frequency electric field and to radiofrequency electromagnetic field. This paper presents the identified difficulties in applying numerical simulations to evaluate physical estimators of direct and indirect effec...

  13. Systems biology of human epilepsy applied to patients with brain tumors.

    Science.gov (United States)

    Mittal, Sandeep; Shah, Aashit K; Barkmeier, Daniel T; Loeb, Jeffrey A

    2013-12-01

    Epilepsy is a disease of recurrent seizures that can be associated with a wide variety of acquired and developmental brain lesions. Current medications for patients with epilepsy can suppress seizures; they do not cure or modify the underlying disease process. On the other hand, surgical removal of focal brain regions that produce seizures can be curative. This surgical procedure can be more precise with the placement of intracranial recording electrodes to identify brain regions that generate seizure activity as well as those that are critical for normal brain function. The detail that goes into these surgeries includes extensive neuroimaging, electrophysiology, and clinical data. Combined with precisely localized tissues removed, these data provide an unparalleled opportunity to learn about the interrelationships of many "systems" in the human brain not possible in just about any other human brain disorder. Herein, we describe a systems biology approach developed to study patients who undergo brain surgery for epilepsy and how we have begun to apply these methods to patients whose seizures are associated with brain tumors. A central goal of this clinical and translational research program is to improve our understanding of epilepsy and brain tumors and to improve diagnosis and treatment outcomes of both.

  14. DSC: software tool for simulation-based design of control strategies applied to wastewater treatment plants.

    Science.gov (United States)

    Ruano, M V; Ribes, J; Seco, A; Ferrer, J

    2011-01-01

    This paper presents a computer tool called DSC (Simulation based Controllers Design) that enables an easy design of control systems and strategies applied to wastewater treatment plants. Although the control systems are developed and evaluated by simulation, this tool aims to facilitate the direct implementation of the designed control system to the PC of the full-scale WWTP (wastewater treatment plants). The designed control system can be programmed in a dedicated control application and can be connected to either the simulation software or the SCADA of the plant. To this end, the developed DSC incorporates an OPC server (OLE for process control) which facilitates an open-standard communication protocol for different industrial process applications. The potential capabilities of the DSC tool are illustrated through the example of a full-scale application. An aeration control system applied to a nutrient removing WWTP was designed, tuned and evaluated with the DSC tool before its implementation in the full scale plant. The control parameters obtained by simulation were suitable for the full scale plant with only few modifications to improve the control performance. With the DSC tool, the control systems performance can be easily evaluated by simulation. Once developed and tuned by simulation, the control systems can be directly applied to the full-scale WWTP.

  15. Prospects for Applying Synthetic Biology to Toxicology: Future Opportunities and Current Limitations for the Repurposing of Cytochrome P450 Systems.

    Science.gov (United States)

    Behrendorff, James B Y H; Gillam, Elizabeth M J

    2017-01-17

    The 30 years since the inception of Chemical Research in Toxicology, game-changing advances in chemical and molecular biology, the fundamental disciplines underpinning molecular toxicology, have been made. While these have led to important advances in the study of mechanisms by which chemicals damage cells and systems, there has been less focus on applying these advances to prediction, detection, and mitigation of toxicity. Over the last ∼15 years, synthetic biology, the repurposing of biological "parts" in systems engineered for useful ends, has been explored in other areas of the biomedical and life sciences, for such applications as detecting metabolites, drug discovery and delivery, investigating disease mechanisms, improving medical treatment, and producing useful chemicals. These examples provide models for the application of synthetic biology to toxicology, which, for the most part, has not yet benefited from such approaches. In this perspective, we review the synthetic biology approaches that have been applied to date and speculate on possible short to medium term and "blue sky" aspirations for synthetic biology, particularly in clinical and environmental toxicology. Finally, we point out key hurdles that must be overcome for the full potential of synthetic biology to be realized.

  16. Simulation applied to innovative waste management options; Simulation appliquee aux options innovantes de gestion des dechets

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2001-10-01

    The aim of this workshop is to share experience and methods in the domains of neutronics, spallation, thermo-hydraulics, corrosion, materials, mechanics; to define the needs for the other domains in order to improve the evaluation of concepts: ADS, MSR, Gas cooled reactors; and to determine the necessity or not to couple codes and tools for the concepts studied in the frame of GEDEON activities. This document groups together the transparencies of 6 presentations given at this workshop: design and performances of CEA spallation targets; simulation of spallation; the neutronic benchmark on the Megapie spallation target; the core physics of fast spectrum gas cooled reactors; the study and modeling of the thermal-mechanical behaviour of composite fuel in reactor. (J.S.)

  17. Efficient modeling, simulation and coarse-graining of biological complexity with NFsim.

    Science.gov (United States)

    Sneddon, Michael W; Faeder, James R; Emonet, Thierry

    2011-02-01

    Managing the overwhelming numbers of molecular states and interactions is a fundamental obstacle to building predictive models of biological systems. Here we introduce the Network-Free Stochastic Simulator (NFsim), a general-purpose modeling platform that overcomes the combinatorial nature of molecular interactions. Unlike standard simulators that represent molecular species as variables in equations, NFsim uses a biologically intuitive representation: objects with binding and modification sites acted on by reaction rules. During simulations, rules operate directly on molecular objects to produce exact stochastic results with performance that scales independently of the reaction network size. Reaction rates can be defined as arbitrary functions of molecular states to provide powerful coarse-graining capabilities, for example to merge Boolean and kinetic representations of biological networks. NFsim enables researchers to simulate many biological systems that were previously inaccessible to general-purpose software, as we illustrate with models of immune system signaling, microbial signaling, cytoskeletal assembly and oscillating gene expression.

  18. STOCHSIMGPU: parallel stochastic simulation for the Systems Biology Toolbox 2 for MATLAB

    KAUST Repository

    Klingbeil, G.

    2011-02-25

    Motivation: The importance of stochasticity in biological systems is becoming increasingly recognized and the computational cost of biologically realistic stochastic simulations urgently requires development of efficient software. We present a new software tool STOCHSIMGPU that exploits graphics processing units (GPUs) for parallel stochastic simulations of biological/chemical reaction systems and show that significant gains in efficiency can be made. It is integrated into MATLAB and works with the Systems Biology Toolbox 2 (SBTOOLBOX2) for MATLAB. Results: The GPU-based parallel implementation of the Gillespie stochastic simulation algorithm (SSA), the logarithmic direct method (LDM) and the next reaction method (NRM) is approximately 85 times faster than the sequential implementation of the NRM on a central processing unit (CPU). Using our software does not require any changes to the user\\'s models, since it acts as a direct replacement of the stochastic simulation software of the SBTOOLBOX2. © The Author 2011. Published by Oxford University Press. All rights reserved.

  19. Characterization of dielectric barrier discharge in air applying current measurement, numerical simulation and emission spectroscopy

    CERN Document Server

    Rajasekaran, Priyadarshini; Awakowicz, Peter

    2012-01-01

    Dielectric barrier discharge (DBD) in air is characterized applying current measurement, numerical simulation and optical emission spectroscopy (OES). For OES, a non-calibrated spectrometer is used. This diagnostic method is applicable when cross-sectional area of the active plasma volume and current density can be determined. The nitrogen emission in the spectral range of 380 nm- 406 nm is used for OES diagnostics. Electric field in the active plasma volume is determined applying the measured spectrum, well-known Frank-Condon factors for nitrogen transitions and numerically- simulated electron distribution functions. The measured electric current density is used for determination of electron density in plasma. Using the determined plasma parameters, the dissociation rate of nitrogen and oxygen in active plasma volume are calculated, which can be used by simulation of the chemical kinetics.

  20. Automated multi-objective calibration of biological agent-based simulations.

    Science.gov (United States)

    Read, Mark N; Alden, Kieran; Rose, Louis M; Timmis, Jon

    2016-09-01

    Computational agent-based simulation (ABS) is increasingly used to complement laboratory techniques in advancing our understanding of biological systems. Calibration, the identification of parameter values that align simulation with biological behaviours, becomes challenging as increasingly complex biological domains are simulated. Complex domains cannot be characterized by single metrics alone, rendering simulation calibration a fundamentally multi-metric optimization problem that typical calibration techniques cannot handle. Yet calibration is an essential activity in simulation-based science; the baseline calibration forms a control for subsequent experimentation and hence is fundamental in the interpretation of results. Here, we develop and showcase a method, built around multi-objective optimization, for calibrating ABSs against complex target behaviours requiring several metrics (termed objectives) to characterize. Multi-objective calibration (MOC) delivers those sets of parameter values representing optimal trade-offs in simulation performance against each metric, in the form of a Pareto front. We use MOC to calibrate a well-understood immunological simulation against both established a priori and previously unestablished target behaviours. Furthermore, we show that simulation-borne conclusions are broadly, but not entirely, robust to adopting baseline parameter values from different extremes of the Pareto front, highlighting the importance of MOC's identification of numerous calibration solutions. We devise a method for detecting overfitting in a multi-objective context, not previously possible, used to save computational effort by terminating MOC when no improved solutions will be found. MOC can significantly impact biological simulation, adding rigour to and speeding up an otherwise time-consuming calibration process and highlighting inappropriate biological capture by simulations that cannot be well calibrated. As such, it produces more accurate

  1. How can we improve problem solving in undergraduate biology? Applying lessons from 30 years of physics education research.

    Science.gov (United States)

    Hoskinson, A-M; Caballero, M D; Knight, J K

    2013-06-01

    If students are to successfully grapple with authentic, complex biological problems as scientists and citizens, they need practice solving such problems during their undergraduate years. Physics education researchers have investigated student problem solving for the past three decades. Although physics and biology problems differ in structure and content, the instructional purposes align closely: explaining patterns and processes in the natural world and making predictions about physical and biological systems. In this paper, we discuss how research-supported approaches developed by physics education researchers can be adopted by biologists to enhance student problem-solving skills. First, we compare the problems that biology students are typically asked to solve with authentic, complex problems. We then describe the development of research-validated physics curricula emphasizing process skills in problem solving. We show that solving authentic, complex biology problems requires many of the same skills that practicing physicists and biologists use in representing problems, seeking relationships, making predictions, and verifying or checking solutions. We assert that acquiring these skills can help biology students become competent problem solvers. Finally, we propose how biology scholars can apply lessons from physics education in their classrooms and inspire new studies in biology education research.

  2. Mathematic simulation of soil-vegetation condition and land use structure applying basin approach

    Science.gov (United States)

    Mishchenko, Natalia; Shirkin, Leonid; Krasnoshchekov, Alexey

    2016-04-01

    Ecosystems anthropogenic transformation is basically connected to the changes of land use structure and human impact on soil fertility. The Research objective is to simulate the stationary state of river basins ecosystems. Materials and Methods. Basin approach has been applied in the research. Small rivers basins of the Klyazma river have been chosen as our research objects. They are situated in the central part of the Russian plain. The analysis is carried out applying integrated characteristics of ecosystems functioning and mathematic simulation methods. To design mathematic simulator functional simulation methods and principles on the basis of regression, correlation and factor analysis have been applied in the research. Results. Mathematic simulation resulted in defining possible permanent conditions of "phytocenosis-soil" system in coordinates of phytomass, phytoproductivity, humus percentage in soil. Ecosystem productivity is determined not only by vegetation photosynthesis activity but also by the area ratio of forest and meadow phytocenosis. Local maximums attached to certain phytomass areas and humus content in soil have been defined on the basin phytoproductivity distribution diagram. We explain the local maximum by synergetic effect. It appears with the definite ratio of forest and meadow phytocenosis. In this case, utmost values of phytomass for the whole area are higher than just a sum of utmost values of phytomass for the forest and meadow phytocenosis. Efficient correlation of natural forest and meadow phytocenosis has been defined for the Klyazma river. Conclusion. Mathematic simulation methods assist in forecasting the ecosystem conditions under various changes of land use structure. Nowadays overgrowing of the abandoned agricultural lands is very actual for the Russian Federation. Simulation results demonstrate that natural ratio of forest and meadow phytocenosis for the area will restore during agricultural overgrowing.

  3. Tension moderation and fluctuation spectrum in simulated lipid membranes under an applied electric potential

    DEFF Research Database (Denmark)

    Loubet, Bastien; Lomholt, Michael Andersen; Khandelia, Himanshu

    2013-01-01

    We investigate the effect of an applied electric potential on the mechanics of a coarse grained POPC bilayer under tension. The size and duration of our simulations allow for a detailed and accurate study of the fluctuations. Effects on the fluctuation spectrum, tension, bending rigidity, and bil......We investigate the effect of an applied electric potential on the mechanics of a coarse grained POPC bilayer under tension. The size and duration of our simulations allow for a detailed and accurate study of the fluctuations. Effects on the fluctuation spectrum, tension, bending rigidity......, and bilayer thickness are investigated in detail. In particular, the least square fitting technique is used to calculate the fluctuation spectra. The simulations confirm a recently proposed theory that the effect of an applied electric potential on the membrane will be moderated by the elastic properties...... fluctuations. The effect of the applied electric potential on the bending rigidity is non-existent within error bars. However, when the membrane is stretched there is a point where the bending rigidity is lowered due to a decrease of the thickness of the membrane. All these effects should prove important...

  4. Air pollution simulation and geographical information systems (GIS) applied to Athens International Airport.

    Science.gov (United States)

    Theophanides, Mike; Anastassopoulou, Jane

    2009-07-01

    This study presents an improved methodology for analysing atmospheric pollution around airports using Gaussian-plume numerical simulation integrated with Geographical Information Systems (GIS). The new methodology focuses on streamlining the lengthy analysis process for Airport Environmental Impact Assessments by integrating the definition of emission sources, simulating and displaying the results in a GIS environment. One of the objectives of the research is to validate the methodology applied to the Athens International Airport, "Eleftherios Venizelos", to produce a realistic estimate of emission inventories, dispersion simulations and comparison to measured data. The methodology used a combination of the Emission Dispersion and Modelling System (EDMS) and the Atmospheric Dispersion and Modelling system (ADMS) to improve the analysis process. The second objective is to conduct numerical simulations under various adverse conditions (e.g. scenarios) and assess the dispersion in the surrounding areas. The study concludes that the use of GIS in environmental assessments provides a valuable advantage for organizing data and entering accurate geographical/topological information for the simulation engine. Emissions simulation produced estimates within 10% of published values. Dispersion simulations indicate that airport pollution will affect neighbouring cities such as Rafina and Loutsa. Presently, there are no measured controls in these areas. In some cases, airport pollution can contribute to as much as 40% of permissible EU levels in VOCs.

  5. Improving biological control of stalk borers in sugarcane by applying silicon as a soil amendment

    Directory of Open Access Journals (Sweden)

    Nikpay Amin

    2016-12-01

    Full Text Available The sugarcane stalk borers, Sesamia spp. (Lepidoptera: Noctuidae are the most destructive sugarcane insect pests in Iran. The efficiency of Telenomus busseolae Gahan (Hymenoptera: Scelionidae used alone or in combination with silicon fertilization was investigated for controlling the sugarcane stalk borers under field conditions. The treatments were: a combination of silicon plus multiple releases of 2,500 T. busseolae, and multiple releases of 5,000, 2,500 and 1,250 T. busseolae alone. Plots receiving no soil amendment or parasites were included as the controls. Three weeks after the first application of each treatment, 100 shoots were selected randomly from each plot and the percentage of dead heart was determined. Then, three months after the first application of parasites, the percentage of stalks damaged, the percentage of internodes bored, and the level of parasitism were determined. Finally, at harvest the percentage of stalks damaged, the percentage of internodes bored, and sugarcane quality characteristics were determined. Results indicated that the efficiency of parasitism increased when combined with an application of silicon fertilizer. The release of 2,500 T. busseolae followed by an application of silicon fertilizer decreased dead hearts to 4%, while 12% dead hearts was observed in the control plots. For the combination treatment, the percentages of stalk damage were 1.5% and 17.2%, at 3 weeks and 3 months after time release, respectively. However, the percentages of stalk damage were 35.2% and 51% when no treatment was applied. Cane quality was significantly higher with the application of silicon fertilizer plus the release of 2,500 T. busseolae, followed by releasing 5,000 Hymenoptera. The level of parasitism was also greater when parasites were released in combination with an application of silicon. We conclude that biological control by egg parasitoids can be enhanced with concurrent applications of silicon fertilizer as a soil

  6. Program Applied Biology and Biotechnology. Annual report 1988. Programm Angewandte Biologie und Biotechnologie. Jahresbericht 1988

    Energy Technology Data Exchange (ETDEWEB)

    1989-01-01

    This annual report of the Biology, Ecology, Energy Department (PBE) of Juelich Nuclear Research Center contains short descriptions of the projects subsidized by the Federal Government on the following subjects: 1. Biological process and enzyme engineering; 2. Cell culture and cell fusion engineering; 3. Genetic engineering and microbial techniques; 4. Alternative methods for animal experiments, biological safety; 5. Plant breeding and plant protection; 6. Gene centres and priority projects; 7. New fields and interdisciplinary activities of biotechnology; 8. Regeneration of the raw materials. (RB).

  7. Friction characteristics of a new type of continuous rotary electro-hydraulic servomotor applied to simulator

    Institute of Scientific and Technical Information of China (English)

    CAO Jian; XU Hong-guang

    2008-01-01

    The principle of a new type of no-pulsation continuous rotary electro-hydraulic servomotor applied to simulators is introduced. LuGre friction model was analyzed. The identification method of LuGre parameters was proposed, and the measures to compensate the effect of friction forces were given. A friction torque model for the new rotary motor was proposed. The low-speed response and step response of the motor were studied experi-mentally. Experimental results proved that using friction compensation could eliminate stick-slip motion at the low speed, which makes the servomotor applicable to simulators.

  8. Process Simulation of Complex Biological Pathways in Physical Reactive Space and Reformulated for Massively Parallel Computing Platforms.

    Science.gov (United States)

    Ganesan, Narayan; Li, Jie; Sharma, Vishakha; Jiang, Hanyu; Compagnoni, Adriana

    2016-01-01

    Biological systems encompass complexity that far surpasses many artificial systems. Modeling and simulation of large and complex biochemical pathways is a computationally intensive challenge. Traditional tools, such as ordinary differential equations, partial differential equations, stochastic master equations, and Gillespie type methods, are all limited either by their modeling fidelity or computational efficiency or both. In this work, we present a scalable computational framework based on modeling biochemical reactions in explicit 3D space, that is suitable for studying the behavior of large and complex biological pathways. The framework is designed to exploit parallelism and scalability offered by commodity massively parallel processors such as the graphics processing units (GPUs) and other parallel computing platforms. The reaction modeling in 3D space is aimed at enhancing the realism of the model compared to traditional modeling tools and framework. We introduce the Parallel Select algorithm that is key to breaking the sequential bottleneck limiting the performance of most other tools designed to study biochemical interactions. The algorithm is designed to be computationally tractable, handle hundreds of interacting chemical species and millions of independent agents by considering all-particle interactions within the system. We also present an implementation of the framework on the popular graphics processing units and apply it to the simulation study of JAK-STAT Signal Transduction Pathway. The computational framework will offer a deeper insight into various biological processes within the cell and help us observe key events as they unfold in space and time. This will advance the current state-of-the-art in simulation study of large scale biological systems and also enable the realistic simulation study of macro-biological cultures, where inter-cellular interactions are prevalent.

  9. Accurate simulation of MPPT methods performance when applied to commercial photovoltaic panels.

    Science.gov (United States)

    Cubas, Javier; Pindado, Santiago; Sanz-Andrés, Ángel

    2015-01-01

    A new, simple, and quick-calculation methodology to obtain a solar panel model, based on the manufacturers' datasheet, to perform MPPT simulations, is described. The method takes into account variations on the ambient conditions (sun irradiation and solar cells temperature) and allows fast MPPT methods comparison or their performance prediction when applied to a particular solar panel. The feasibility of the described methodology is checked with four different MPPT methods applied to a commercial solar panel, within a day, and under realistic ambient conditions.

  10. Accurate Simulation of MPPT Methods Performance When Applied to Commercial Photovoltaic Panels

    Directory of Open Access Journals (Sweden)

    Javier Cubas

    2015-01-01

    Full Text Available A new, simple, and quick-calculation methodology to obtain a solar panel model, based on the manufacturers’ datasheet, to perform MPPT simulations, is described. The method takes into account variations on the ambient conditions (sun irradiation and solar cells temperature and allows fast MPPT methods comparison or their performance prediction when applied to a particular solar panel. The feasibility of the described methodology is checked with four different MPPT methods applied to a commercial solar panel, within a day, and under realistic ambient conditions.

  11. Preparation of Biological Samples Containing Metoprolol and Bisoprolol for Applying Methods for Quantitative Analysis

    Directory of Open Access Journals (Sweden)

    Corina Mahu Ştefania

    2015-12-01

    Full Text Available Arterial hypertension is a complex disease with many serious complications, representing a leading cause of mortality. Selective beta-blockers such as metoprolol and bisoprolol are frequently used in the management of hypertension. Numerous analytical methods have been developed for the determination of these substances in biological fluids, such as liquid chromatography coupled with mass spectrometry, gas chromatography coupled with mass spectrometry, high performance liquid chromatography. Due to the complex composition of biological fluids a biological sample pre-treatment before the use of the method for quantitative determination is required in order to remove proteins and potential interferences. The most commonly used methods for processing biological samples containing metoprolol and bisoprolol were identified through a thorough literature search using PubMed, ScienceDirect, and Willey Journals databases. Articles published between years 2005-2015 were reviewed. Protein precipitation, liquid-liquid extraction and solid phase extraction are the main techniques for the extraction of these drugs from plasma, serum, whole blood and urine samples. In addition, numerous other techniques have been developed for the preparation of biological samples, such as dispersive liquid-liquid microextraction, carrier-mediated liquid phase microextraction, hollow fiber-protected liquid phase microextraction, on-line molecularly imprinted solid phase extraction. The analysis of metoprolol and bisoprolol in human plasma, urine and other biological fluids provides important information in clinical and toxicological trials, thus requiring the application of appropriate extraction techniques for the detection of these antihypertensive substances at nanogram and picogram levels.

  12. Simulation and visualization of coupled hydrodynamical, chemical and biological models

    Directory of Open Access Journals (Sweden)

    Dag Slagstad

    1997-04-01

    Full Text Available This paper briefly describes the principles of hydrodynamical and ecological modelling of marine systems and how model results are presented by use of MATLAB. Two application examples are shown. One refers to modelling and simulation of the carbon vertical transport in the Greenland Sea and the other is a study on the effect of wind pattern for the invasion success of zooplankton from the Norwegian Sea into the North Sea by use of particle tracking.

  13. The effect of temperature on the biology of Phytoseiulus macropilis (Banks (Phytoseiidae in applied biological control program

    Directory of Open Access Journals (Sweden)

    Catiane Dameda

    2016-10-01

    Full Text Available Phytoseiulus macropilis (Banks (Phytoseiidae is a natural enemy of Tetranychus urticae Koch (TSSM, a common pest in several cultures, especially in greenhouses. This research aimed to know the biological parameters of a strain of P. macropilis from Vale do Taquari, State of Rio Grande do Sul, feeding on TSSM at different temperatures. The study was initiated with 30 eggs individualized in arenas under the temperature of 20, 25 and 30 ± 1°C and relative humidity of 80 ± 10%. The average length (T of each generation decreased with the increase of temperature, ranging from 25.71 days at 20°C to 11.14 days at 30°C. The net reproductive rate (Ro ranged from 45.47 at 20°C to 18.25 at 30°C; the innate capacity for increase (rm was 0.15 at 20°C, reaching 0.26 at 30°C and the finite increase rate (λ ranged from 1.41 to 1.82 females day-1 at 20 and 30°C, respectively. In the present study, it was observed that the strain of the evaluated predatory mite from mild climate of South Brazil, might present a good performance to control TSSM when exposed to a temperature range between 20 and 30°C.

  14. A system simulation model applied to the production schedule of a fish processing facility

    Directory of Open Access Journals (Sweden)

    Carla Roberta Pereira

    2012-11-01

    Full Text Available The simulation seeks to import the reality to a controlled environment, where it is possible to study it behavior, under several conditions, without involving physical risks and/or high costs. Thus, the system simulation becomes a useful and powerful technique in emergence markets, as the tilapiculture sector that needs to expand its business. The main purpose of this study was the development of a simulation model to assist the decisions making of the production scheduling of a fish processing facility. It was applied, as research method, the case study and the modeling/simulation, including in this set the SimuCAD methodology and the development phases of a simulation model. The model works with several alternative scenarios, testing different working shifts, types of flows and production capacity, besides variations of the ending inventory and sales. The result of this research was a useful and differentiated model simulation to assist the decision making of the production scheduling of fish processing facility studied.

  15. Human Metabolic Network: Reconstruction, Simulation, and Applications in Systems Biology

    Science.gov (United States)

    Wu, Ming; Chan, Christina

    2012-01-01

    Metabolism is crucial to cell growth and proliferation. Deficiency or alterations in metabolic functions are known to be involved in many human diseases. Therefore, understanding the human metabolic system is important for the study and treatment of complex diseases. Current reconstructions of the global human metabolic network provide a computational platform to integrate genome-scale information on metabolism. The platform enables a systematic study of the regulation and is applicable to a wide variety of cases, wherein one could rely on in silico perturbations to predict novel targets, interpret systemic effects, and identify alterations in the metabolic states to better understand the genotype-phenotype relationships. In this review, we describe the reconstruction of the human metabolic network, introduce the constraint based modeling approach to analyze metabolic networks, and discuss systems biology applications to study human physiology and pathology. We highlight the challenges and opportunities in network reconstruction and systems modeling of the human metabolic system. PMID:24957377

  16. A Biologic Behavior Simulation:Living Migration Algorithm (LMA)

    Institute of Scientific and Technical Information of China (English)

    LI Dou-dou; SHAO Shi-huang; QI Jin-peng

    2008-01-01

    Biologic behaviors are the principal source for proposing new intelligent algorithms.Based on the mechanism of the bio-subsistence and the bio-migration,this paper proposes a novel algorithm-Living Migration Algorithm (LMA).The original contributions of LMA are three essential attributes of each individual:the minimal life-needs which ale the necessaries for survival,the migrating which is a basal action for searching new living space,and the judging which is an important ability of deciding whether to migrate or not.When living space of all individuals can satisfy the minimal life-needs at some generation,they are considered as the optimal living places where objective functions will obtain the optima.LMA may be employed in large-scale computation and engineering field.The paper mostly operates LMA to deal with four nonlinear and heterogeneous optimizations,and experiments prove LMA has better performances than Free Search algorithm.

  17. Multiphase Simulated Annealing Based on Boltzmann and Bose-Einstein Distribution Applied to Protein Folding Problem.

    Science.gov (United States)

    Frausto-Solis, Juan; Liñán-García, Ernesto; Sánchez-Hernández, Juan Paulo; González-Barbosa, J Javier; González-Flores, Carlos; Castilla-Valdez, Guadalupe

    2016-01-01

    A new hybrid Multiphase Simulated Annealing Algorithm using Boltzmann and Bose-Einstein distributions (MPSABBE) is proposed. MPSABBE was designed for solving the Protein Folding Problem (PFP) instances. This new approach has four phases: (i) Multiquenching Phase (MQP), (ii) Boltzmann Annealing Phase (BAP), (iii) Bose-Einstein Annealing Phase (BEAP), and (iv) Dynamical Equilibrium Phase (DEP). BAP and BEAP are simulated annealing searching procedures based on Boltzmann and Bose-Einstein distributions, respectively. DEP is also a simulated annealing search procedure, which is applied at the final temperature of the fourth phase, which can be seen as a second Bose-Einstein phase. MQP is a search process that ranges from extremely high to high temperatures, applying a very fast cooling process, and is not very restrictive to accept new solutions. However, BAP and BEAP range from high to low and from low to very low temperatures, respectively. They are more restrictive for accepting new solutions. DEP uses a particular heuristic to detect the stochastic equilibrium by applying a least squares method during its execution. MPSABBE parameters are tuned with an analytical method, which considers the maximal and minimal deterioration of problem instances. MPSABBE was tested with several instances of PFP, showing that the use of both distributions is better than using only the Boltzmann distribution on the classical SA.

  18. Multiphase Simulated Annealing Based on Boltzmann and Bose-Einstein Distribution Applied to Protein Folding Problem

    Directory of Open Access Journals (Sweden)

    Juan Frausto-Solis

    2016-01-01

    Full Text Available A new hybrid Multiphase Simulated Annealing Algorithm using Boltzmann and Bose-Einstein distributions (MPSABBE is proposed. MPSABBE was designed for solving the Protein Folding Problem (PFP instances. This new approach has four phases: (i Multiquenching Phase (MQP, (ii Boltzmann Annealing Phase (BAP, (iii Bose-Einstein Annealing Phase (BEAP, and (iv Dynamical Equilibrium Phase (DEP. BAP and BEAP are simulated annealing searching procedures based on Boltzmann and Bose-Einstein distributions, respectively. DEP is also a simulated annealing search procedure, which is applied at the final temperature of the fourth phase, which can be seen as a second Bose-Einstein phase. MQP is a search process that ranges from extremely high to high temperatures, applying a very fast cooling process, and is not very restrictive to accept new solutions. However, BAP and BEAP range from high to low and from low to very low temperatures, respectively. They are more restrictive for accepting new solutions. DEP uses a particular heuristic to detect the stochastic equilibrium by applying a least squares method during its execution. MPSABBE parameters are tuned with an analytical method, which considers the maximal and minimal deterioration of problem instances. MPSABBE was tested with several instances of PFP, showing that the use of both distributions is better than using only the Boltzmann distribution on the classical SA.

  19. River basin soil-vegetation condition assessment applying mathematic simulation methods

    Science.gov (United States)

    Mishchenko, Natalia; Trifonova, Tatiana; Shirkin, Leonid

    2013-04-01

    Meticulous attention paid nowadays to the problem of vegetation cover productivity changes is connected also to climate global transformation. At the same time ecosystems anthropogenic transformation, basically connected to the changes of land use structure and human impact on soil fertility, is developing to a great extent independently from climatic processes and can seriously influence vegetation cover productivity not only at the local and regional levels but also globally. Analysis results of land use structure and soil cover condition influence on river basin ecosystems productive potential is presented in the research. The analysis is carried out applying integrated characteristics of ecosystems functioning, space images processing results and mathematic simulation methods. The possibility of making permanent functional simulator defining connection between macroparameters of "phytocenosis-soil" system condition on the basis of basin approach is shown. Ecosystems of river catchment basins of various degrees located in European part of Russia were chosen as research objects. For the integrated assessment of ecosystems soil and vegetation conditions the following characteristics have been applied: 1. Soil-productional potential, characterizing the ability of natural and natural-anthropogenic ecosystem in certain soil-bioclimatic conditions for long term reproduction. This indicator allows for specific phytomass characteristics and ecosystem produce, humus content in soil and bioclimatic parameters. 2. Normalized difference vegetation index (NDVI) has been applied as an efficient, remotely defined, monitoring indicator characterizing spatio-temporal unsteadiness of soil-productional potential. To design mathematic simulator functional simulation methods and principles on the basis of regression, correlation and factor analysis have been applied in the research. Coefficients values defining in the designed static model of phytoproductivity distribution has been

  20. A Novel CPU/GPU Simulation Environment for Large-Scale Biologically-Realistic Neural Modeling

    Directory of Open Access Journals (Sweden)

    Roger V Hoang

    2013-10-01

    Full Text Available Computational Neuroscience is an emerging field that provides unique opportunities to studycomplex brain structures through realistic neural simulations. However, as biological details are added tomodels, the execution time for the simulation becomes longer. Graphics Processing Units (GPUs are now being utilized to accelerate simulations due to their ability to perform computations in parallel. As such, they haveshown significant improvement in execution time compared to Central Processing Units (CPUs. Most neural simulators utilize either multiple CPUs or a single GPU for better performance, but still show limitations in execution time when biological details are not sacrificed. Therefore, we present a novel CPU/GPU simulation environment for large-scale biological networks,the NeoCortical Simulator version 6 (NCS6. NCS6 is a free, open-source, parallelizable, and scalable simula-tor, designed to run on clusters of multiple machines, potentially with high performance computing devicesin each of them. It has built-in leaky-integrate-and-fire (LIF and Izhikevich (IZH neuron models, but usersalso have the capability to design their own plug-in interface for different neuron types as desired. NCS6is currently able to simulate one million cells and 100 million synapses in quasi real time by distributing dataacross these heterogeneous clusters of CPUs and GPUs.

  1. On Designing Multicore-Aware Simulators for Systems Biology Endowed with OnLine Statistics

    Directory of Open Access Journals (Sweden)

    Marco Aldinucci

    2014-01-01

    Full Text Available The paper arguments are on enabling methodologies for the design of a fully parallel, online, interactive tool aiming to support the bioinformatics scientists .In particular, the features of these methodologies, supported by the FastFlow parallel programming framework, are shown on a simulation tool to perform the modeling, the tuning, and the sensitivity analysis of stochastic biological models. A stochastic simulation needs thousands of independent simulation trajectories turning into big data that should be analysed by statistic and data mining tools. In the considered approach the two stages are pipelined in such a way that the simulation stage streams out the partial results of all simulation trajectories to the analysis stage that immediately produces a partial result. The simulation-analysis workflow is validated for performance and effectiveness of the online analysis in capturing biological systems behavior on a multicore platform and representative proof-of-concept biological systems. The exploited methodologies include pattern-based parallel programming and data streaming that provide key features to the software designers such as performance portability and efficient in-memory (big data management and movement. Two paradigmatic classes of biological systems exhibiting multistable and oscillatory behavior are used as a testbed.

  2. On designing multicore-aware simulators for systems biology endowed with OnLine statistics.

    Science.gov (United States)

    Aldinucci, Marco; Calcagno, Cristina; Coppo, Mario; Damiani, Ferruccio; Drocco, Maurizio; Sciacca, Eva; Spinella, Salvatore; Torquati, Massimo; Troina, Angelo

    2014-01-01

    The paper arguments are on enabling methodologies for the design of a fully parallel, online, interactive tool aiming to support the bioinformatics scientists .In particular, the features of these methodologies, supported by the FastFlow parallel programming framework, are shown on a simulation tool to perform the modeling, the tuning, and the sensitivity analysis of stochastic biological models. A stochastic simulation needs thousands of independent simulation trajectories turning into big data that should be analysed by statistic and data mining tools. In the considered approach the two stages are pipelined in such a way that the simulation stage streams out the partial results of all simulation trajectories to the analysis stage that immediately produces a partial result. The simulation-analysis workflow is validated for performance and effectiveness of the online analysis in capturing biological systems behavior on a multicore platform and representative proof-of-concept biological systems. The exploited methodologies include pattern-based parallel programming and data streaming that provide key features to the software designers such as performance portability and efficient in-memory (big) data management and movement. Two paradigmatic classes of biological systems exhibiting multistable and oscillatory behavior are used as a testbed.

  3. Simulations of curved assemblies in soft matter and biological systems

    Science.gov (United States)

    Qiao, Cong

    Viruses are small infectious agents that replicate only inside living cells of other organisms. In the viral life cycle, the self-assembly of the outer protein shell (capsid) is an essential step. We study this process in the hope of shedding light on development of antiviral drugs, gene therapy and other virus-related technologies that can benefit the humankind. More fundamentally, learning about the process of viral capsid assembly can elucidate the assembly mechanisms of a wide range of complex structures. In this work, we use molecular dynamics simulations and coarse-grained computational models to study viral capsid assembly in several situations where geometric constraints play a role in dictating assembly outcomes. We first focus on icosahedral viruses with single-stranded RNA genomes, in which case the capsid usually assembles around the genomic RNA. It is consistently observed in experiments that such viral particles are ''overcharged'', meaning the net negative charge on the viral genome is greater than the net positive charge on the viral capsid. We computationally investigate the mechanisms that lead to ``overcharging'', and more broadly, how the encapsidated genome length is influenced by the capsid. We perform both dynamical simulations of the assembly process and equilibrium calculations to determine the optimal genome length (meaning that which maximizes the assembly yield and/or minimizes the free energy of the assembled virus). We find that the optimal genome length is determined by the interplay between capsid size, net capsid charge, distribution of capsid charge and nucleic acid structures. Our simulations demonstrate that overcharging results from a combination of electrostatic screening and the geometric constraints associated with encapsulating a nucleic acid inside of a spherical virus. We then study the assembly of the immature HIV. In contrast to icosahedral viruses, the immature HIV forms an asymmetric particle, consisting of continuous

  4. Predicting Causal Relationships from Biological Data: Applying Automated Casual Discovery on Mass Cytometry Data of Human Immune Cells

    KAUST Repository

    Triantafillou, Sofia

    2017-03-31

    Learning the causal relationships that define a molecular system allows us to predict how the system will respond to different interventions. Distinguishing causality from mere association typically requires randomized experiments. Methods for automated causal discovery from limited experiments exist, but have so far rarely been tested in systems biology applications. In this work, we apply state-of-the art causal discovery methods on a large collection of public mass cytometry data sets, measuring intra-cellular signaling proteins of the human immune system and their response to several perturbations. We show how different experimental conditions can be used to facilitate causal discovery, and apply two fundamental methods that produce context-specific causal predictions. Causal predictions were reproducible across independent data sets from two different studies, but often disagree with the KEGG pathway databases. Within this context, we discuss the caveats we need to overcome for automated causal discovery to become a part of the routine data analysis in systems biology.

  5. An agent-based simulation of extirpation of Ceratitis capitata applied to invasions in California.

    Science.gov (United States)

    Manoukis, Nicholas C; Hoffman, Kevin

    2014-01-01

    We present an agent-based simulation (ABS) of Ceratitis capitata ("Medfly") developed for estimating the time to extirpation of this pest in areas where quarantines and eradication treatments were immediately imposed. We use the ABS, implemented in the program MED-FOES, to study seven different outbreaks that occurred in Southern California from 2008 to 2010. Results are compared with the length of intervention and quarantine imposed by the State, based on a linear developmental model (thermal unit accumulation, or "degree-day"). MED-FOES is a useful tool for invasive species managers as it incorporates more information from the known biology of the Medfly, and includes the important feature of being demographically explicit, providing significant improvements over simple degree-day calculations. While there was general agreement between the length of quarantine by degree-day and the time to extirpation indicated by MED-FOES, the ABS suggests that the margin of safety varies among cases and that in two cases the quarantine may have been excessively long. We also examined changes in the number of individuals over time in MED-FOES and conducted a sensitivity analysis for one of the outbreaks to explore the role of various input parameters on simulation outcomes. While our implementation of the ABS in this work is motivated by C. capitata and takes extirpation as a postulate, the simulation is very flexible and can be used to study a variety of questions on the invasion biology of pest insects and methods proposed to manage or eradicate such species.

  6. Towards Systems Biology of Heterosis: A Hypothesis about Molecular Network Structure Applied for the Arabidopsis Metabolome

    Directory of Open Access Journals (Sweden)

    Gärtner Tanja

    2009-01-01

    Full Text Available We propose a network structure-based model for heterosis, and investigate it relying on metabolite profiles from Arabidopsis. A simple feed-forward two-layer network model (the Steinbuch matrix is used in our conceptual approach. It allows for directly relating structural network properties with biological function. Interpreting heterosis as increased adaptability, our model predicts that the biological networks involved show increasing connectivity of regulatory interactions. A detailed analysis of metabolite profile data reveals that the increasing-connectivity prediction is true for graphical Gaussian models in our data from early development. This mirrors properties of observed heterotic Arabidopsis phenotypes. Furthermore, the model predicts a limit for increasing hybrid vigor with increasing heterozygosity—a known phenomenon in the literature.

  7. Smart DNA Fabrication Using Sound Waves: Applying Acoustic Dispensing Technologies to Synthetic Biology.

    Science.gov (United States)

    Kanigowska, Paulina; Shen, Yue; Zheng, Yijing; Rosser, Susan; Cai, Yizhi

    2016-02-01

    Acoustic droplet ejection (ADE) technology uses focused acoustic energy to transfer nanoliter-scale liquid droplets with high precision and accuracy. This noncontact, tipless, low-volume dispensing technology minimizes the possibility of cross-contamination and potentially reduces the costs of reagents and consumables. To date, acoustic dispensers have mainly been used in screening libraries of compounds. In this paper, we describe the first application of this powerful technology to the rapidly developing field of synthetic biology, for DNA synthesis and assembly at the nanoliter scale using a Labcyte Echo 550 acoustic dispenser. We were able to successfully downscale PCRs and the popular one-pot DNA assembly methods, Golden Gate and Gibson assemblies, from the microliter to the nanoliter scale with high assembly efficiency, which effectively cut the reagent cost by 20- to 100-fold. We envision that acoustic dispensing will become an instrumental technology in synthetic biology, in particular in the era of DNA foundries.

  8. Multidisciplinary approach of early breast cancer: The biology applied to radiation oncology

    Directory of Open Access Journals (Sweden)

    Azria David

    2010-01-01

    Full Text Available Abstract Early breast cancer treatment is based on a multimodality approach with the application of clinical and histological prognostic factors to determine locoregional and systemic treatments. The entire scientific community is strongly involved in the management of this disease: radiologists for screening and early diagnosis, gynecologists, surgical oncologists and radiation oncologists for locoregional treatment, pathologists and biologists for personalized characterization, genetic counselors for BRCA mutation history and medical oncologists for systemic therapies. Recently, new biological tools have established various prognostic subsets of breast cancer and developed predictive markers for miscellaneous treatments. The aim of this article is to highlight the contribution of biological tools in the locoregional management of early breast cancer.

  9. Applying insights from biofilm biology to drug development - can a new approach be developed?

    DEFF Research Database (Denmark)

    Bjarnsholt, Thomas; Ciofu, Oana; Molin, Søren

    2013-01-01

    Most of the research on bacterial pathogenesis has focused on acute infections, but much less is known about the pathogenesis of infections caused by bacteria that grow as aggregates in biofilms. These infections tend to be chronic as they resist innate and adaptive immune defence mechanisms as w...... and pathology, and discuss how a deep insight into the physical and biological characteristics of biofilms can inform therapeutic strategies and molecular targets for the development of anti-biofilm drugs....

  10. Basic and applied problems in developmental biology and immunobiology of cestode infections: Hymenolepis, Taenia and Echinococcus.

    Science.gov (United States)

    Ito, A

    2015-02-01

    Differentiation and development of parasites, including longevity in host animals, are thought to be governed by host-parasite interactions. In this review, several topics on the developmental biology of cestode infections are discussed from immunobiological perspective with a focus on Hymenolepis, Taenia and Echinococcus infections. The basic premise of this review is that 'differentiation and development of cestodes' are somehow affected by host immune responses with an evolutionary history.

  11. Simulation Techniques and Prosthetic Approach Towards Biologically Efficient Artificial Sense Organs- An Overview

    CERN Document Server

    Neogi, Biswarup; Mukherjee, Soumyajit; Das, Achintya; Tibarewala, D N

    2011-01-01

    An overview of the applications of control theory to prosthetic sense organs including the senses of vision, taste and odor is being presented in this paper. Simulation aspect nowadays has been the centre of research in the field of prosthesis. There have been various successful applications of prosthetic organs, in case of natural biological organs dis-functioning patients. Simulation aspects and control modeling are indispensible for knowing system performance, and to generate an original approach of artificial organs. This overview focuses mainly on control techniques, by far a theoretical overview and fusion of artificial sense organs trying to mimic the efficacies of biologically active sensory organs. Keywords: virtual reality, prosthetic vision, artificial

  12. High performance hybrid functional Petri net simulations of biological pathway models on CUDA.

    Science.gov (United States)

    Chalkidis, Georgios; Nagasaki, Masao; Miyano, Satoru

    2011-01-01

    Hybrid functional Petri nets are a wide-spread tool for representing and simulating biological models. Due to their potential of providing virtual drug testing environments, biological simulations have a growing impact on pharmaceutical research. Continuous research advancements in biology and medicine lead to exponentially increasing simulation times, thus raising the demand for performance accelerations by efficient and inexpensive parallel computation solutions. Recent developments in the field of general-purpose computation on graphics processing units (GPGPU) enabled the scientific community to port a variety of compute intensive algorithms onto the graphics processing unit (GPU). This work presents the first scheme for mapping biological hybrid functional Petri net models, which can handle both discrete and continuous entities, onto compute unified device architecture (CUDA) enabled GPUs. GPU accelerated simulations are observed to run up to 18 times faster than sequential implementations. Simulating the cell boundary formation by Delta-Notch signaling on a CUDA enabled GPU results in a speedup of approximately 7x for a model containing 1,600 cells.

  13. Computer simulation applied to jewellery casting: challenges, results and future possibilities

    Science.gov (United States)

    Tiberto, Dario; Klotz, Ulrich E.

    2012-07-01

    Computer simulation has been successfully applied in the past to several industrial processes (such as lost foam and die casting) by larger foundries and direct automotive suppliers, while for the jewelry sector it is a procedure which is not widespread, and which has been tested mainly in the context of research projects. On the basis of a recently concluded EU project, the authors here present the simulation of investment casting, using two different softwares: one for the filling step (Flow-3D®), the other one for the solidification (PoligonSoft®). A work on material characterization was conducted to obtain the necessary physical parameters for the investment (used for the mold) and for the gold alloys (through thermal analysis). A series of 18k and 14k gold alloys were cast in standard set-ups to have a series of benchmark trials with embedded thermocouples for temperature measurement, in order to compare and validate the software output in terms of the cooling curves for definite test parts. Results obtained with the simulation included the reduction of micro-porosity through an optimization of the feeding channels for a controlled solidification of the metal: examples of the predicted porosity in the cast parts (with metallographic comparison) will be shown. Considerations on the feasibility of applying the casting simulation in the jewelry sector will be reached, underlining the importance of the software parametrization necessary to obtain reliable results, and the discrepancies found with the experimental comparison. In addition an overview on further possibilities of application for the CFD in jewellery casting, such as the modeling of the centrifugal and tilting processes, will be presented.

  14. Numerical simulation and experimental verification of silicone oil flow over magnetic fluid under applied magnetic field

    Institute of Scientific and Technical Information of China (English)

    Ruoyu Hong; Zhiqiang Ren; Shizhong Zhang; Jianmin Ding; Hongzhong Li

    2007-01-01

    Two-layer flow of magnetic fluid and non-magnetic silicone oil was simulated numerically. The continuity equation, momentum equations,kinematic equation, and magnetic potential equation were solved in two-dimensional Cartesian coordinate. PLIC (piecewise linear integration calculation) VOF (volume of fluid) scheme was employed to track the free interface. Surface tension was treated via a continuous surface force(CSF) model that ensures robustness and accuracy. The influences of applied magnetic field, inlet velocity profile, initial surface disturbance of interface and surface tension were analyzed. The computed interface shapes at different conditions were compared with experimental observation.

  15. Simulated annealing applied to two-dimensional low-beta reduced magnetohydrodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Chikasue, Y., E-mail: chikasue@ppl.k.u-tokyo.ac.jp [Graduate School of Frontier Sciences, University of Tokyo, 5-1-5 Kashiwanoha, Kashiwa-shi, Chiba 277-8561 (Japan); Furukawa, M., E-mail: furukawa@damp.tottori-u.ac.jp [Graduate School of Engineering, Tottori University, Minami 4-101, Koyama-cho, Tottori-shi, Tottori 680-8552 (Japan)

    2015-02-15

    The simulated annealing (SA) method is applied to two-dimensional (2D) low-beta reduced magnetohydrodynamics (R-MHD). We have successfully obtained stationary states of the system numerically by the SA method with Casimir invariants preserved. Since the 2D low-beta R-MHD has two fields, the relaxation process becomes complex compared to a single field system such as 2D Euler flow. The obtained stationary state can have fine structure. We have found that the fine structure appears because the relaxation processes are different between kinetic energy and magnetic energy.

  16. A SIMULATION OF THE PENICILLIN G PRODUCTION BIOPROCESS APPLYING NEURAL NETWORKS

    Directory of Open Access Journals (Sweden)

    A.J.G. da Cruz

    1997-12-01

    Full Text Available The production of penicillin G by Penicillium chrysogenum IFO 8644 was simulated employing a feedforward neural network with three layers. The neural network training procedure used an algorithm combining two procedures: random search and backpropagation. The results of this approach were very promising, and it was observed that the neural network was able to accurately describe the nonlinear behavior of the process. Besides, the results showed that this technique can be successfully applied to control process algorithms due to its long processing time and its flexibility in the incorporation of new data

  17. Simulation of subnanosecond streamers in atmospheric-pressure air: Effects of polarity of applied voltage pulse

    Science.gov (United States)

    Babaeva, N. Yu.; Naidis, G. V.

    2016-08-01

    Results of simulation of subnanosecond streamer propagation in corona gap configuration, obtained in the framework of 2D fluid model, are presented. Effects related with the polarity of a voltage pulse applied to the stressed electrode are discussed. It is argued that these effects (dependence of the discharge current and propagation velocity on the polarity of applied voltage) observed in experiments can be attributed to the difference in initial (preceding the streamer formation) distributions of charged species inside the gap. This difference can be caused by preionization (at negative polarity) of the gas inside the discharge gap by runaway electrons. Calculated streamers have large widths (up to 1 cm) and move with velocities in the range of 109-1010 cm s-1, similar to experimental data.

  18. Power-feedwater temperature operating domain for Sbwr applying Monte Carlo simulation

    Energy Technology Data Exchange (ETDEWEB)

    Aguilar M, L. A.; Quezada G, S.; Espinosa M, E. G.; Vazquez R, A.; Varela H, J. R.; Cazares R, R. I.; Espinosa P, G., E-mail: sequega@gmail.com [Universidad Autonoma Metropolitana, Unidad Iztapalapa, San Rafael Atlixco No. 186, Col. Vicentina, 09340 Mexico D. F. (Mexico)

    2014-10-15

    In this work the analyses of the feedwater temperature effects on reactor power in a simplified boiling water reactor (Sbwr) applying a methodology based on Monte Carlo simulation is presented. The Monte Carlo methodology was applied systematically to establish operating domain, due that the Sbwr are not yet in operation, the analysis of the nuclear and thermal-hydraulic processes must rely on numerical modeling, with the purpose of developing or confirming the design basis and qualifying the existing or new computer codes to enable reliable analyses. The results show that the reactor power is inversely proportional to the temperature of the feedwater, reactor power changes at 8% when the feed water temperature changes in 8%. (Author)

  19. Simulation Techniques and Prosthetic Approach Towards Biologically Efficient Artificial Sense Organs- An Overview

    OpenAIRE

    Neogi, Biswarup; Ghosal, Soumya; Mukherjee, Soumyajit; Das, Achintya; Tibarewala, D. N.

    2011-01-01

    An overview of the applications of control theory to prosthetic sense organs including the senses of vision, taste and odor is being presented in this paper. Simulation aspect nowadays has been the centre of research in the field of prosthesis. There have been various successful applications of prosthetic organs, in case of natural biological organs dis-functioning patients. Simulation aspects and control modeling are indispensible for knowing system performance, and to generate an original a...

  20. Biological Modulation of Upper Ocean Physics: Simulating the Biothermal Feedback Effect in Monterey Bay, California

    Science.gov (United States)

    2014-04-08

    and S. C. Doney (1994), Oceanic vertical mixing: A review and a model with a nonlocal boundary layer para- meterization, Rev. Geophys., 32(4), 363–403...integrated ocean-atmosphere-biological modeling system. Ourmodel simulations show that a local phytoplankton bloommay impact upper ocean physics in such a way...perturbations in the local surface pressure gradients also arise as a result of the simulated biothermal warming of surface waters. The model evidence

  1. Applying Intelligent Computing Techniques to Modeling Biological Networks from Expression Data

    Institute of Scientific and Technical Information of China (English)

    Wei-Po Lee; Kung-Cheng Yang

    2008-01-01

    Constructing biological networks is one of the most important issues in system sbiology. However, constructing a network from data manually takes a considerable large amount of time, therefore an automated procedure is advocated. To automate the procedure of network construction, in this work we use two intelligent computing techniques, genetic programming and neural computation, to infer two kinds of network models that use continuous variables. To verify the presented approaches, experiments have been conducted and the preliminary results show that both approaches can be used to infer networks successfully.

  2. Novel hybrid methods applied for the numerical simulation of three-phase biotechnological flows

    Energy Technology Data Exchange (ETDEWEB)

    Diez Robles, Lucia

    2009-07-01

    Granular Activated Sludge (GAS) is na novel biological secondary treatment of wastewater which presents multiple advantages with respect to Conventional Activated Sludge (CAS). For fluid mechanical analysis of the bioreactor in which GAS is cultivated, two strategies are adopted: numerical analysis which is carried out in the present thesis and optical in situ measurements which validate the numerical results. The Eulerian-Eulerian multi-fluid approach does not offer a satisfactory description of the three-phase flow as there is a lack of appropriate mathematical models and the solution of the equation systems is problematic. Hybrid methods are here developed in order to complement the classical numerical techniques. These improve the convergence of the numerical simulation, generate results more in accordance with the experimental results and reduce the CPU time required for the calculations. An additional momentum exchange between the dispersed phases is also proposed for the consideration of the four-way coupling case. (orig.)

  3. Applying accelerator mass spectrometry for low-level detection of complex engineered nanoparticles in biological media.

    Science.gov (United States)

    Wang, Binghui; Jackson, George S; Yokel, Robert A; Grulke, Eric A

    2014-08-01

    Complex engineered nanoparticles (CENPs), which have different core and surface components, are being developed for medicinal, pharmaceutical and industrial applications. One of the key challenges for environmental health and safety assessments of CENPs is to identify and quantity their transformations in biological environments. This study reports the effects of in vivo exposure of citrate-coated nanoalumina with different rare isotope labels on each component. This CENP was dosed to the rat and accelerator mass spectrometry (AMS) was used to quantify (26)Al, (14)C, and their ratio in the dosing material and tissue samples. For CENPs detected in the liver, the rare isotope ratio, (14)C/(26)Al, was 87% of the dosing material's ratio. The citrate coating on the nanoalumina in the liver was stable or, if it degraded, its metabolites were incorporated with nearby tissues. However, in brain and bone where little alumina was detected, the rare isotope ratio greatly exceeded that of the dosing material. Therefore, in the animal, citrate dissociated from CENPs and redistributed to brain and bone. Tracking both the core and surface components by AMS presents a new approach for characterizing transformations of CENPs components in biological milieu or environments.

  4. A comparison of quantitative reconstruction techniques for PIXE-tomography analysis applied to biological samples

    Energy Technology Data Exchange (ETDEWEB)

    Beasley, D.G., E-mail: dgbeasley@ctn.ist.utl.pt [IST/C2TN, Universidade de Lisboa, Campus Tecnológico e Nuclear, E.N.10, 2686-953 Sacavém (Portugal); Alves, L.C. [IST/C2TN, Universidade de Lisboa, Campus Tecnológico e Nuclear, E.N.10, 2686-953 Sacavém (Portugal); Barberet, Ph.; Bourret, S.; Devès, G.; Gordillo, N.; Michelet, C. [Univ. Bordeaux, CENBG, UMR 5797, F-33170 Gradignan (France); CNRS, IN2P3, CENBG, UMR 5797, F-33170 Gradignan (France); Le Trequesser, Q. [Univ. Bordeaux, CENBG, UMR 5797, F-33170 Gradignan (France); CNRS, IN2P3, CENBG, UMR 5797, F-33170 Gradignan (France); Institut de Chimie de la Matière Condensée de Bordeaux (ICMCB, UPR9048) CNRS, Université de Bordeaux, 87 avenue du Dr. A. Schweitzer, Pessac F-33608 (France); Marques, A.C. [IST/IPFN, Universidade de Lisboa, Campus Tecnológico e Nuclear, E.N.10, 2686-953 Sacavém (Portugal); Seznec, H. [Univ. Bordeaux, CENBG, UMR 5797, F-33170 Gradignan (France); CNRS, IN2P3, CENBG, UMR 5797, F-33170 Gradignan (France); Silva, R.C. da [IST/IPFN, Universidade de Lisboa, Campus Tecnológico e Nuclear, E.N.10, 2686-953 Sacavém (Portugal)

    2014-07-15

    The tomographic reconstruction of biological specimens requires robust algorithms, able to deal with low density contrast and low element concentrations. At the IST/ITN microprobe facility new GPU-accelerated reconstruction software, JPIXET, has been developed, which can significantly increase the speed of quantitative reconstruction of Proton Induced X-ray Emission Tomography (PIXE-T) data. It has a user-friendly graphical user interface for pre-processing, data analysis and reconstruction of PIXE-T and Scanning Transmission Ion Microscopy Tomography (STIM-T). The reconstruction of PIXE-T data is performed using either an algorithm based on a GPU-accelerated version of the Maximum Likelihood Expectation Maximisation (MLEM) method or a GPU-accelerated version of the Discrete Image Space Reconstruction Algorithm (DISRA) (Sakellariou (2001) [2]). The original DISRA, its accelerated version, and the MLEM algorithm, were compared for the reconstruction of a biological sample of Caenorhabditis elegans – a small worm. This sample was analysed at the microbeam line of the AIFIRA facility of CENBG, Bordeaux. A qualitative PIXE-T reconstruction was obtained using the CENBG software package TomoRebuild (Habchi et al. (2013) [6]). The effects of pre-processing and experimental conditions on the elemental concentrations are discussed.

  5. Simulations on the Teaching of Molecular Biology: Experience’s Report

    Directory of Open Access Journals (Sweden)

    A.L.S. Silva

    2013-05-01

    Full Text Available INTRODUCTION: The comprehension of techniques used in Molecular Biology neither always is easy.Therefore, the objective of this work was to apply simulations in Molecular Biology for graduating students of a Pharmacy course froma private educational institution, to allow them to practice the apparent difficult protocols. MATERIALS AND METHODS: Three groups of students (50 each were evaluated. Two of them were submitted to different simulatory activities,such as: a visiting the virtual laboratory of Utah University (USA to understand gel electrophoresis and polymerasechain reaction (PCR techniques, b extracting DNA from oral mucosa by means of a homemade protocol, c investigating simulatory paternity tests, d proposing their own microarrays by painting them on paper and then interpreted the results according to the colors, e designing primers (small fragments of DNA to PCR with the free software Primer3 and testing them in silico PCR. The third group of students was only submitted to oral theoretical classes about all these themes. The progress of the understanding was qualitatively evaluated and compared by the analysis of questionnaires. RESULTS AND DISCUSSION: The groups submitted to the virtual classes were responsive during the development of activities and had a better performance in the examinations than the group that had only theoretical classes, showing better comprehension about the themes. Their greatest difficult was the limitation in the English language to interact with the websites (they often asked about an alternative site in Portuguese. CONCLUSION: The didactical sequence involving exercises in websites by using freeware and recreational activities in classroom with graduating students of Pharmacy proved to be an effective tool in the learning of some of the techniques in Molecular Biology, mainly when a lab and some equipment are not available to perform practical activities

  6. Virtual Transgenics: Using a Molecular Biology Simulation to Impact Student Academic Achievement and Attitudes

    Science.gov (United States)

    Shegog, Ross; Lazarus, Melanie M.; Murray, Nancy G.; Diamond, Pamela M.; Sessions, Nathalie; Zsigmond, Eva

    2012-01-01

    The transgenic mouse model is useful for studying the causes and potential cures for human genetic diseases. Exposing high school biology students to laboratory experience in developing transgenic animal models is logistically prohibitive. Computer-based simulation, however, offers this potential in addition to advantages of fidelity and reach.…

  7. Simulation and Experiment of Extinction or Adaptation of Biological Species after Temperature Changes

    Science.gov (United States)

    Stauffer, D.; Arndt, H.

    Can unicellular organisms survive a drastic temperature change, and adapt to it after many generations? In simulations of the Penna model of biological aging, both extinction and adaptation were found for asexual and sexual reproduction as well as for parasex. These model investigations are the basis for the design of evolution experiments with heterotrophic flagellates.

  8. The image simulation arithmetic of the degradating process of porous biologic ceramic in life-form

    Institute of Scientific and Technical Information of China (English)

    CHEN Zuo-bing; HUANG Jian-zhong; YAN Yu-hua; LI Shi-pu

    2001-01-01

    @@ It is a complex and difficult task to simulate the degradating process of porous biologic ceramic in life-form by computer. Because the evolvement of crystal' s structure deals with not only the mechanism of many factors, such as crystallography tropism, the reciprocity of wafer, interfacial movement, but also topology geometry mechanism of dimensional padding.

  9. The causal pie model: an epidemiological method applied to evolutionary biology and ecology.

    Science.gov (United States)

    Wensink, Maarten; Westendorp, Rudi G J; Baudisch, Annette

    2014-05-01

    A general concept for thinking about causality facilitates swift comprehension of results, and the vocabulary that belongs to the concept is instrumental in cross-disciplinary communication. The causal pie model has fulfilled this role in epidemiology and could be of similar value in evolutionary biology and ecology. In the causal pie model, outcomes result from sufficient causes. Each sufficient cause is made up of a "causal pie" of "component causes". Several different causal pies may exist for the same outcome. If and only if all component causes of a sufficient cause are present, that is, a causal pie is complete, does the outcome occur. The effect of a component cause hence depends on the presence of the other component causes that constitute some causal pie. Because all component causes are equally and fully causative for the outcome, the sum of causes for some outcome exceeds 100%. The causal pie model provides a way of thinking that maps into a number of recurrent themes in evolutionary biology and ecology: It charts when component causes have an effect and are subject to natural selection, and how component causes affect selection on other component causes; which partitions of outcomes with respect to causes are feasible and useful; and how to view the composition of a(n apparently homogeneous) population. The diversity of specific results that is directly understood from the causal pie model is a test for both the validity and the applicability of the model. The causal pie model provides a common language in which results across disciplines can be communicated and serves as a template along which future causal analyses can be made.

  10. Real-time simulation of biologically realistic stochastic neurons in VLSI.

    Science.gov (United States)

    Chen, Hsin; Saighi, Sylvain; Buhry, Laure; Renaud, Sylvie

    2010-09-01

    Neuronal variability has been thought to play an important role in the brain. As the variability mainly comes from the uncertainty in biophysical mechanisms, stochastic neuron models have been proposed for studying how neurons compute with noise. However, most papers are limited to simulating stochastic neurons in a digital computer. The speed and the efficiency are thus limited especially when a large neuronal network is of concern. This brief explores the feasibility of simulating the stochastic behavior of biological neurons in a very large scale integrated (VLSI) system, which implements a programmable and configurable Hodgkin-Huxley model. By simply injecting noise to the VLSI neuron, various stochastic behaviors observed in biological neurons are reproduced realistically in VLSI. The noise-induced variability is further shown to enhance the signal modulation of a neuron. These results point toward the development of analog VLSI systems for exploring the stochastic behaviors of biological neuronal networks in large scale.

  11. Development of A Darcy-flow model applied to simulate the drying of shrinking media

    Directory of Open Access Journals (Sweden)

    S. Chemkhi

    2008-09-01

    Full Text Available A mathematical model is developed to describe the coupling between heat, mass, and momentum transfers and is applied to simulate the drying of saturated and shrinking media. This model is called "the Darcy-flow model", which is based on the fact that the liquid flow is induced by a pressure gradient. The main novelties of the model are that firstly no phenomenological law need be introduced by keeping solid mass conservation and solid volume conservation together and secondly we use the effective stresses notion strongly coupling mechanical behaviour with mass transport. The analysis is limited to the preheating and the constant rate drying periods because shrinkage occurs during these two periods for most materials. Our purpose is to simulate the drying process and to compare the results of the simulations and the experiments done on clay material to demonstrate the consistency of the model developed. One of the important conclusions is that is no correlation between moisture flow and moisture gradient.

  12. A Systems Biology Analysis Unfolds the Molecular Pathways and Networks of Two Proteobacteria in Spaceflight and Simulated Microgravity Conditions

    Science.gov (United States)

    Roy, Raktim; Phani Shilpa, P.; Bagh, Sangram

    2016-09-01

    Bacteria are important organisms for space missions due to their increased pathogenesis in microgravity that poses risks to the health of astronauts and for projected synthetic biology applications at the space station. We understand little about the effect, at the molecular systems level, of microgravity on bacteria, despite their significant incidence. In this study, we proposed a systems biology pipeline and performed an analysis on published gene expression data sets from multiple seminal studies on Pseudomonas aeruginosa and Salmonella enterica serovar Typhimurium under spaceflight and simulated microgravity conditions. By applying gene set enrichment analysis on the global gene expression data, we directly identified a large number of new, statistically significant cellular and metabolic pathways involved in response to microgravity. Alteration of metabolic pathways in microgravity has rarely been reported before, whereas in this analysis metabolic pathways are prevalent. Several of those pathways were found to be common across studies and species, indicating a common cellular response in microgravity. We clustered genes based on their expression patterns using consensus non-negative matrix factorization. The genes from different mathematically stable clusters showed protein-protein association networks with distinct biological functions, suggesting the plausible functional or regulatory network motifs in response to microgravity. The newly identified pathways and networks showed connection with increased survival of pathogens within macrophages, virulence, and antibiotic resistance in microgravity. Our work establishes a systems biology pipeline and provides an integrated insight into the effect of microgravity at the molecular systems level.

  13. A fast platform for simulating semi-flexible fiber suspensions applied to cell mechanics

    Science.gov (United States)

    Nazockdast, Ehssan; Rahimian, Abtin; Zorin, Denis; Shelley, Michael

    2017-01-01

    We present a novel platform for the large-scale simulation of three-dimensional fibrous structures immersed in a Stokesian fluid and evolving under confinement or in free-space in three dimensions. One of the main motivations for this work is to study the dynamics of fiber assemblies within biological cells. For this, we also incorporate the key biophysical elements that determine the dynamics of these assemblies, which include the polymerization and depolymerization kinetics of fibers, their interactions with molecular motors and other objects, their flexibility, and hydrodynamic coupling. This work, to our knowledge, is the first technique to include many-body hydrodynamic interactions (HIs), and the resulting fluid flows, in cellular assemblies of flexible fibers. We use non-local slender body theory to compute the fluid-structure interactions of the fibers and a second-kind boundary integral formulation for other rigid bodies and the confining boundary. A kernel-independent implementation of the fast multipole method is utilized for efficient evaluation of HIs. The deformation of the fibers is described by nonlinear Euler-Bernoulli beam theory and their polymerization is modeled by the reparametrization of the dynamic equations in the appropriate non-Lagrangian frame. We use a pseudo-spectral representation of fiber positions and implicit time-stepping to resolve large fiber deformations, and to allow time-steps not excessively constrained by temporal stiffness or fiber-fiber interactions. The entire computational scheme is parallelized, which enables simulating assemblies of thousands of fibers. We use our method to investigate two important questions in the mechanics of cell division: (i) the effect of confinement on the hydrodynamic mobility of microtubule asters; and (ii) the dynamics of the positioning of mitotic spindle in complex cell geometries. Finally to demonstrate the general applicability of the method, we simulate the sedimentation of a cloud of

  14. Proceedings of the 3. international symposium on applied microbiology and molecular biology in oil systems: ISMOS 3

    Energy Technology Data Exchange (ETDEWEB)

    Rooijen, Gijs van; Caffrey, Sean M. [Genome Alberta (Canada); Lund Skovhus, Torben [DTI Oil and Gas (Denmark); Whitby, Corinne [University of Essex (United Kingdom)

    2011-07-01

    The 3rd international symposium on applied microbiology and molecular biology in oil systems was held in Calgary, Alberta, Canada, from June 13th to June 15th, 2011. This conference, organized by ISMOS TSC, gathered experts to discuss the application of microbial and molecular biology in the hydrocarbon sector. The conference was attended by key players from the oil and gas industry and provided them with the opportunity to learn about some of the latest technologies in areas such as the application of molecular microbiological methods for oil field systems, biodegradation of hydrocarbons in oil production, biofuels and downstream petroleum microbiology and challenges in biofuels and oil sands developments, and to network with their peers and share their expertise. 17 of the 31 papers presented during this conference have been catalogued separately for inclusion in this database.

  15. Biological nematicide, fungicides and insecticides applied through seed, in of the soybean crop performance in the North of Mato Grosso

    Directory of Open Access Journals (Sweden)

    L. G. Baggio

    2016-05-01

    Full Text Available Among the phytonematodes Pratylenchus brachyurus, is becoming a major concern for producers due to reduction in soybean yield. Thus, there was the effect of biological nematicide and fungicide; applied to seeds (individually or associated, performance of soybean in commercial area infested with P. brachyurous. The treatments were: T1-No control; T2-Grafinat Plus (Paecilomyces sp. + Arthrobotrys sp. + Trichoderma sp., Biological nematicide; T3-Cropstar FS; T4-Avicta Complete; T5-Standak® Top; T6-Plus Grafinat + Cropstar FC; T7-Grafinat-Plus + Avicta Complete and T8-Grafinat Plus + Top Standak®. The results obtained showed that there was no statistical difference between treatments in plant stand, height (cm of plants at 20, 40 and 60 days after emergence, the stem diameter (mm, the number of pods and seeds per plant, the weight of 1000 grains (g and density. However, the application of Standak Top® (individually and Complete Avicta in association with Grafinat Plus increased height (cm of first pod in the plant, facilitating at harvest by reducing the grain loss. But, the greatest productivity gains (bags ha-¹ were obtained by applying Standak ® Top and Full Avicta (applied individually.

  16. Bridging the gap between basic and applied biology: towards preclinical translation

    Directory of Open Access Journals (Sweden)

    Ross L. Cagan

    2013-05-01

    To better translate basic research findings into the clinic, we are moving away from the traditional one-gene–one-phenotype model towards the discovery of complex mechanisms. In this Editorial, the new Editor-in-Chief and Senior Editors of Disease Models & Mechanisms (DMM discuss the role that the journal will play in this transition. DMM will continue to provide a platform for studies that bridge basic and applied science, and, by demanding the rigorous assessment of animal models of disease, will help drive the establishment of robust standards of preclinical testing for drug development.

  17. StochPy: a comprehensive, user-friendly tool for simulating stochastic biological processes.

    Directory of Open Access Journals (Sweden)

    Timo R Maarleveld

    Full Text Available Single-cell and single-molecule measurements indicate the importance of stochastic phenomena in cell biology. Stochasticity creates spontaneous differences in the copy numbers of key macromolecules and the timing of reaction events between genetically-identical cells. Mathematical models are indispensable for the study of phenotypic stochasticity in cellular decision-making and cell survival. There is a demand for versatile, stochastic modeling environments with extensive, preprogrammed statistics functions and plotting capabilities that hide the mathematics from the novice users and offers low-level programming access to the experienced user. Here we present StochPy (Stochastic modeling in Python, which is a flexible software tool for stochastic simulation in cell biology. It provides various stochastic simulation algorithms, SBML support, analyses of the probability distributions of molecule copy numbers and event waiting times, analyses of stochastic time series, and a range of additional statistical functions and plotting facilities for stochastic simulations. We illustrate the functionality of StochPy with stochastic models of gene expression, cell division, and single-molecule enzyme kinetics. StochPy has been successfully tested against the SBML stochastic test suite, passing all tests. StochPy is a comprehensive software package for stochastic simulation of the molecular control networks of living cells. It allows novice and experienced users to study stochastic phenomena in cell biology. The integration with other Python software makes StochPy both a user-friendly and easily extendible simulation tool.

  18. Time-Motion and Biological Responses in Simulated Mixed Martial Arts Sparring Matches.

    Science.gov (United States)

    Coswig, Victor S; Ramos, Solange de P; Del Vecchio, Fabrício B

    2016-08-01

    Coswig, VS, Ramos, SdP, and Del Vecchio, FB. Time-motion and biological responses in simulated mixed martial arts sparring matches. J Strength Cond Res 30(8): 2156-2163, 2016-Simulated matches are a relevant component of training for mixed martial arts (MMA) athletes. This study aimed to characterize time-motion responses and investigate physiological stress and neuromuscular changes related to MMA sparring matches. Thirteen athletes with an average age of 25 ± 5 years, body mass of 81.3 ± 9.5 kg, height of 176.2 ± 5.5 cm, and time of practice in MMA of 39 ± 25 months participated in the study. The fighters executed three 5-minute rounds with 1-minute intervals. Blood and salivary samples were collected and physical tests and psychometric questionnaires administered at 3 time points: before (PRE), immediately after (POST), and 48 hours after the combat (48 h). Statistical analysis applied analysis of variance for repeated measurements. In biochemical analysis, significant changes (p ≤ 0.05) were identified between PRE and POST (glucose: 80.3 ± 12.7 to 156.5 ± 19.1 mg·ml; lactate: 4 ± 1.7 to 15.6 ± 4.8 mmol·dl), POST and 48 hours (glucose: 156.5 ± 19.1 to 87.6 ± 15.5 mg·ml; lactate: 15.6 ± 4.8 to 2.9 ± 3.5 mmol·dl; urea: 44.1 ± 8.9 to 36.3 ± 7.8 mg·ml), and PRE and 48 hours (creatine kinase [CK]: 255.8 ± 137.4 to 395.9 ± 188.7 U/L). In addition, time-motion analyses showed a total high:low intensity of 1:2 and an effort:pause ratio of 1:3. In conclusion, simulated MMA sparring matches feature moderate to high intensity and a low degree of musculoskeletal damage, which can be seen by absence of physical performance and decrease in CK. Results of the study indicate that sparring training could be introduced into competitive microcycles to improve technical and tactical aspects of MMA matches, due to the high motor specificity and low muscle damage.

  19. [The history of development of evolutionary methods in St. Petersburg school of computer simulation in biology].

    Science.gov (United States)

    Menshutkin, V V; Kazanskiĭ, A B; Levchenko, V F

    2010-01-01

    The history of rise and development of evolutionary methods in Saint Petersburg school of biological modelling is traced and analyzed. Some pioneering works in simulation of ecological and evolutionary processes, performed in St.-Petersburg school became an exemplary ones for many followers in Russia and abroad. The individual-based approach became the crucial point in the history of the school as an adequate instrument for construction of models of biological evolution. This approach is natural for simulation of the evolution of life-history parameters and adaptive processes in populations and communities. In some cases simulated evolutionary process was used for solving a reverse problem, i. e., for estimation of uncertain life-history parameters of population. Evolutionary computations is one more aspect of this approach application in great many fields. The problems and vistas of ecological and evolutionary modelling in general are discussed.

  20. Enrichment and immobilization of sulfide removal microbiota applied for environmental biological remediation of aquaculture area.

    Science.gov (United States)

    Zhao, Yang-Guo; Zheng, Yu; Tian, Weijun; Bai, Jie; Feng, Gong; Guo, Liang; Gao, Mengchun

    2016-07-01

    To remove sulfide in the deteriorating aquaculture sediment and water, sulfide-oxidizing microbiota was enriched from Jiaozhou Bay, China, by using sulfide-rich medium. Composition and structure of microbial communities in the enrichments were investigated by 16S rDNA molecular biotechniques. Results showed that microbial community structure continuously shifted and the abundance of sulfate reducing bacteria, i.e., Desulfobacterium, Desulfococcus and Desulfobacca apparently declined. Several halophile genera, Vibrio, Marinobacter, Pseudomonas, Prochlorococcus, Pediococcus and Thiobacillus predominated finally in the microbiota. The enriched microbiota was capable of removing a maximum of 1000 mg/L sulfide within 12 h with 10% inoculum at pH 7.0, 20-30 °C. After immobilized, the microbiota presented excellent resistance to impact and could completely remove 600 mg/L sulfide in 12 h. Moreover, the immobilized microbiota recovered well even recycled for five times. In conclusion, the immobilized sulfide-removing microbiota showed a quite promising application for biological restoring of sulfide-rich aquaculture environment.

  1. Simulating Nationwide Pandemics: Applying the Multi-scale Epidemiologic Simulation and Analysis System to Human Infectious Diseases

    Energy Technology Data Exchange (ETDEWEB)

    Dombroski, M; Melius, C; Edmunds, T; Banks, L E; Bates, T; Wheeler, R

    2008-09-24

    This study uses the Multi-scale Epidemiologic Simulation and Analysis (MESA) system developed for foreign animal diseases to assess consequences of nationwide human infectious disease outbreaks. A literature review identified the state of the art in both small-scale regional models and large-scale nationwide models and characterized key aspects of a nationwide epidemiological model. The MESA system offers computational advantages over existing epidemiological models and enables a broader array of stochastic analyses of model runs to be conducted because of those computational advantages. However, it has only been demonstrated on foreign animal diseases. This paper applied the MESA modeling methodology to human epidemiology. The methodology divided 2000 US Census data at the census tract level into school-bound children, work-bound workers, elderly, and stay at home individuals. The model simulated mixing among these groups by incorporating schools, workplaces, households, and long-distance travel via airports. A baseline scenario with fixed input parameters was run for a nationwide influenza outbreak using relatively simple social distancing countermeasures. Analysis from the baseline scenario showed one of three possible results: (1) the outbreak burned itself out before it had a chance to spread regionally, (2) the outbreak spread regionally and lasted a relatively long time, although constrained geography enabled it to eventually be contained without affecting a disproportionately large number of people, or (3) the outbreak spread through air travel and lasted a long time with unconstrained geography, becoming a nationwide pandemic. These results are consistent with empirical influenza outbreak data. The results showed that simply scaling up a regional small-scale model is unlikely to account for all the complex variables and their interactions involved in a nationwide outbreak. There are several limitations of the methodology that should be explored in future

  2. A data integration approach for cell cycle analysis oriented to model simulation in systems biology

    Directory of Open Access Journals (Sweden)

    Mosca Ettore

    2007-08-01

    Full Text Available Abstract Background The cell cycle is one of the biological processes most frequently investigated in systems biology studies and it involves the knowledge of a large number of genes and networks of protein interactions. A deep knowledge of the molecular aspect of this biological process can contribute to making cancer research more accurate and innovative. In this context the mathematical modelling of the cell cycle has a relevant role to quantify the behaviour of each component of the systems. The mathematical modelling of a biological process such as the cell cycle allows a systemic description that helps to highlight some features such as emergent properties which could be hidden when the analysis is performed only from a reductionism point of view. Moreover, in modelling complex systems, a complete annotation of all the components is equally important to understand the interaction mechanism inside the network: for this reason data integration of the model components has high relevance in systems biology studies. Description In this work, we present a resource, the Cell Cycle Database, intended to support systems biology analysis on the Cell Cycle process, based on two organisms, yeast and mammalian. The database integrates information about genes and proteins involved in the cell cycle process, stores complete models of the interaction networks and allows the mathematical simulation over time of the quantitative behaviour of each component. To accomplish this task, we developed, a web interface for browsing information related to cell cycle genes, proteins and mathematical models. In this framework, we have implemented a pipeline which allows users to deal with the mathematical part of the models, in order to solve, using different variables, the ordinary differential equation systems that describe the biological process. Conclusion This integrated system is freely available in order to support systems biology research on the cell cycle and

  3. System Identification Applied to Dynamic CFD Simulation and Wind Tunnel Data

    Science.gov (United States)

    Murphy, Patrick C.; Klein, Vladislav; Frink, Neal T.; Vicroy, Dan D.

    2011-01-01

    Demanding aerodynamic modeling requirements for military and civilian aircraft have provided impetus for researchers to improve computational and experimental techniques. Model validation is a key component for these research endeavors so this study is an initial effort to extend conventional time history comparisons by comparing model parameter estimates and their standard errors using system identification methods. An aerodynamic model of an aircraft performing one-degree-of-freedom roll oscillatory motion about its body axes is developed. The model includes linear aerodynamics and deficiency function parameters characterizing an unsteady effect. For estimation of unknown parameters two techniques, harmonic analysis and two-step linear regression, were applied to roll-oscillatory wind tunnel data and to computational fluid dynamics (CFD) simulated data. The model used for this study is a highly swept wing unmanned aerial combat vehicle. Differences in response prediction, parameters estimates, and standard errors are compared and discussed

  4. Using Macrocystis pyrifera (L. C. Agardh from southern Chile as a source of applied biological compounds

    Directory of Open Access Journals (Sweden)

    Andrés Mansilla

    2011-04-01

    Full Text Available The exploitation of seaweeds in Chile has been carried out for more than 60 years. More recently, seaweeds have been used for the production of alginate, agar and carrageenan, agricultural fertilizers and industrial aquaculture (feed for abalone and sea urchins, increasing the added value of this natural resource. In the Magellan Region (56ºS, the giant kelp Macrocystis pyrifera (L. C. Agardh presents the most extensive kelp forest, reaching a biomass of approximately 12 kg.m-2. Recent studies have shown potential benefits from adding M. pyrifera- derived flour to salmonid feed. Research is currently underway to evaluate the useof brown algae-derived products for marine aquaculture feed of Oncorhynchus mykiss in tanks. There was no apparent adverse effect on the evaluated parameters that can be attributed to the incorporation of M. pyrifera meal in the diets fed to salmonids. Even when the control diet had numerically the best performance in zootechnical terms, the analysis of variance of all parameters evaluated showed no significant differences with regard to diets containing M. pyrifera meal. These results demonstrated that seaweed meal has important benefits for animal health and nutrition that could be applied or tested in other marine organisms of commercial importance.

  5. Editorial: Advances in Health Education Applying E-Learning, Simulations and Distance Technologies

    Directory of Open Access Journals (Sweden)

    Andre W. Kushniruk

    2011-03-01

    Full Text Available This special issue of the KM&EL international journal is dedicated to coverage of novel advances in health professional education applying e-Learning, simulations and distance education technologies. Modern healthcare is beginning to be transformed through the emergence of new information technologies and rapid advances in health informatics. Advances such as electronic health record systems (EHRs, clinical decision support systems and other advanced information systems such as public health surveillance systems are rapidly being deployed worldwide. The education of health professionals such as medical, nursing and allied health professionals will require an improved understanding of these technologies and how they will transform their healthcare practice. However, currently there is a lack of integration of knowledge and skills related to such technology in health professional education. In this issue of the journal we present articles that describe a set of novel approaches to integrating essential health information technology into the education of health professionals, as well as the use of advanced information technologies and e-Learning approaches for improving health professional education. The approaches range from use of simulations to development of novel Web-based platforms for allowing students to interact with the technologies and healthcare practices that are rapidly changing healthcare.

  6. A New Era for Cancer Target Therapies: Applying Systems Biology and Computer-Aided Drug Design to Cancer Therapies.

    Science.gov (United States)

    Wong, Yung-Hao; Chiu, Chia-Chiun; Lin, Chih-Lung; Chen, Ting-Shou; Jheng, Bo-Ren; Lee, Yu-Ching; Chen, Jeremy; Chen, Bor-Sen

    In recent years, many systems biology approaches have been used with various cancers. The materials described here can be used to build bases to discover novel cancer therapy targets in connection with computer-aided drug design (CADD). A deeper understanding of the mechanisms of cancer will provide more choices and correct strategies in the development of multiple target drug therapies, which is quite different from the traditional cancer single target therapy. Targeted therapy is one of the most powerful strategies against cancer and can also be applied to other diseases. Due to the large amount of progress in computer hardware and the theories of computational chemistry and physics, CADD has been the main strategy for developing novel drugs for cancer therapy. In contrast to traditional single target therapies, in this review we will emphasize the future direction of the field, i.e., multiple target therapies. Structure-based and ligand-based drug designs are the two main topics of CADD. The former needs both 3D protein structures and ligand structures, while the latter only needs ligand structures. Ordinarily it is estimated to take more than 14 years and 800 million dollars to develop a new drug. Many new CADD software programs and techniques have been developed in recent decades. We conclude with an example where we combined and applied systems biology and CADD to the core networks of four cancers and successfully developed a novel cocktail for drug therapy that treats multiple targets.

  7. Applying Computerized Adaptive Testing to the Four-Dimensional Symptom Questionnaire (4DSQ): A Simulation Study

    Science.gov (United States)

    de Beurs, Derek P; Terluin, Berend; Verhaak, Peter F

    2017-01-01

    Background Efficient screening questionnaires are useful in general practice. Computerized adaptive testing (CAT) is a method to improve the efficiency of questionnaires, as only the items that are particularly informative for a certain responder are dynamically selected. Objective The objective of this study was to test whether CAT could improve the efficiency of the Four-Dimensional Symptom Questionnaire (4DSQ), a frequently used self-report questionnaire designed to assess common psychosocial problems in general practice. Methods A simulation study was conducted using a sample of Dutch patients visiting a general practitioner (GP) with psychological problems (n=379). Responders completed a paper-and-pencil version of the 50-item 4DSQ and a psychometric evaluation was performed to check if the data agreed with item response theory (IRT) assumptions. Next, a CAT simulation was performed for each of the four 4DSQ scales (distress, depression, anxiety, and somatization), based on the given responses as if they had been collected through CAT. The following two stopping rules were applied for the administration of items: (1) stop if measurement precision is below a predefined level, or (2) stop if more than half of the items of the subscale are administered. Results In general, the items of each of the four scales agreed with IRT assumptions. Application of the first stopping rule reduced the length of the questionnaire by 38% (from 50 to 31 items on average). When the second stopping rule was also applied, the total number of items could be reduced by 56% (from 50 to 22 items on average). Conclusions CAT seems useful for improving the efficiency of the 4DSQ by 56% without losing a considerable amount of measurement precision. The CAT version of the 4DSQ may be useful as part of an online assessment to investigate the severity of mental health problems of patients visiting a GP. This simulation study is the first step needed for the development a CAT version of the 4

  8. Biases in simulation of the rice phenology models when applied in warmer climates

    Science.gov (United States)

    Zhang, T.; Li, T.; Yang, X.; Simelton, E.

    2015-12-01

    The current model inter-comparison studies highlight the difference in projections between crop models when they are applied to warmer climates, but these studies do not provide results on how the accuracy of the models would change in these projections because the adequate observations under largely diverse growing season temperature (GST) are often unavailable. Here, we investigate the potential changes in the accuracy of rice phenology models when these models were applied to a significantly warmer climate. We collected phenology data from 775 trials with 19 cultivars in 5 Asian countries (China, India, Philippines, Bangladesh and Thailand). Each cultivar encompasses the phenology observations under diverse GST regimes. For a given rice cultivar in different trials, the GST difference reaches 2.2 to 8.2°C, which allows us to calibrate the models under lower GST and validate under higher GST (i.e., warmer climates). Four common phenology models representing major algorithms on simulations of rice phenology, and three model calibration experiments were conducted. The results suggest that the bilinear and beta models resulted in gradually increasing phenology bias (Figure) and double yield bias per percent increase in phenology bias, whereas the growing-degree-day (GDD) and exponential models maintained a comparatively constant bias when applied in warmer climates (Figure). Moreover, the bias of phenology estimated by the bilinear and beta models did not reduce with increase in GST when all data were used to calibrate models. These suggest that variations in phenology bias are primarily attributed to intrinsic properties of the respective phenology model rather than on the calibration dataset. Therefore we conclude that using the GDD and exponential models has more chances of predicting rice phenology correctly and thus, production under warmer climates, and result in effective agricultural strategic adaptation to and mitigation of climate change.

  9. Simulated weightlessness alters biological characteristics of human breast cancer cell line MCF-7

    Science.gov (United States)

    Qian, Airong; Zhang, Wei; Xie, Li; Weng, Yuanyuan; Yang, Pengfei; Wang, Zhe; Hu, Lifang; Xu, Huiyun; Tian, Zongcheng; Shang, Peng

    The aim of this study is to investigate the effects of the clinostat-simulated microgravity on MCF-7 cells (a breast cancer cell line) biological characteristics. MCF-7 cells were incubated for 24 h in an incubator and then rotated in a clinostat as a model of simulated microgravity for 24, 48 and 72 h, respectively. The effects of the clinostat-simulated microgravity on MCF-7 cells proliferation, invasion, migration, gelatinase production, adhesion, cell cycle, apoptosis and vinculin expression were detected. The results showed that the clinostat-simulated microgravity affected breast cancer cell invasion, migration, adhesion, cell cycle, cell apoptosis and vinculin expression. These results may explore a new field of vision to study tumor metastasis in future.

  10. Simulation and optimization of a coking wastewater biological treatment process by activated sludge models (ASM).

    Science.gov (United States)

    Wu, Xiaohui; Yang, Yang; Wu, Gaoming; Mao, Juan; Zhou, Tao

    2016-01-01

    Applications of activated sludge models (ASM) in simulating industrial biological wastewater treatment plants (WWTPs) are still difficult due to refractory and complex components in influents as well as diversity in activated sludges. In this study, an ASM3 modeling study was conducted to simulate and optimize a practical coking wastewater treatment plant (CWTP). First, respirometric characterizations of the coking wastewater and CWTP biomasses were conducted to determine the specific kinetic and stoichiometric model parameters for the consecutive aeration-anoxic-aeration (O-A/O) biological process. All ASM3 parameters have been further estimated and calibrated, through cross validation by the model dynamic simulation procedure. Consequently, an ASM3 model was successfully established to accurately simulate the CWTP performances in removing COD and NH4-N. An optimized CWTP operation condition could be proposed reducing the operation cost from 6.2 to 5.5 €/m(3) wastewater. This study is expected to provide a useful reference for mathematic simulations of practical industrial WWTPs.

  11. The use of microsoft excel as a user interface for biological simulations.

    Science.gov (United States)

    Tack, G; Roselli, R J; Overholser, K A; Harris, T R

    1995-02-01

    We used Microsoft Excel 4.0 for Windows running on a PC-486 to develop a user interface for two biological simulation models: a lung fluid balance model and a fractal model of the pulmonary circulation. The simulation programs were written in the C programming language, while the user interface was written in the macro language of Excel. The interface builds input data files for the simulation programs and provides a mechanism for displaying relevant information from output files produced from the simulations. Input fields are partially protected so that the user cannot modify certain portions of the spreadsheet. The Excel interface is used to build models from different available components and to select appropriate parameters for these models. The developed interface was also useful for running models in the batch mode. After selecting changes in lung fluid balance parameters, the interface allows users to find new steady state values by automatically running the model and adjusting initial conditions. Several different graphical options allow users to easily investigate the effects of selecting particular models and parameters. Techniques used in developing our user interface can be extended to most biological simulation programs which manipulate input and output data files.

  12. Backward Multiscattering and Transport of Photons in Biological Tissue: Experiment and Simulation

    Directory of Open Access Journals (Sweden)

    Hamed Mohamed Abubaker

    2012-01-01

    Full Text Available Optical polarimetry is a mighty tool for study of transparent and translucent inorganic and organic materials. Growing interest in better health and also the quality of the food pointed the investigation of physical properties of biological turbid tissues. Due to the fact that biological tissue is complex random material showing inhomogeneity, anisotropy and nonlinearity in the structure, its rigorous characterization is almost impossible. This complexity also involves an important amount of information. Therefore, the research of polarization states of scattered light is one of emerging novel techniques in biomedical science. The paper deals with the experimental study of degree of polarization and also with simulation of the biological tissue by Monte Carlo method.

  13. A simulation benchmark to evaluate the performance of advanced control techniques in biological wastewater treatment plants

    OpenAIRE

    Sotomayor O.A.Z.; Park S.W.; Garcia C

    2001-01-01

    Wastewater treatment plants (WWTP) are complex systems that incorporate a large number of biological, physicochemical and biochemical processes. They are large and nonlinear systems subject to great disturbances in incoming loads. The primary goal of a WWTP is to reduce pollutants and the second goal is disturbance rejection, in order to obtain good effluent quality. Modeling and computer simulations are key tools in the achievement of these two goals. They are essential to describe, predict ...

  14. Stability and biological activity of wild blueberry (Vaccinium angustifolium) polyphenols during simulated in vitro gastrointestinal digestion.

    Science.gov (United States)

    Correa-Betanzo, J; Allen-Vercoe, E; McDonald, J; Schroeter, K; Corredig, M; Paliyath, G

    2014-12-15

    Wild blueberries are rich in polyphenols and have several potential health benefits. Understanding the factors that affect the bioaccessibility and bioavailability of polyphenols is important for evaluating their biological significance and efficacy as functional food ingredients. Since the bioavailability of polyphenols such as anthocyanins is generally low, it has been proposed that metabolites resulting during colonic fermentation may be the components that exert health benefits. In this study, an in vitro gastrointestinal model comprising sequential chemostat fermentation steps that simulate digestive conditions in the stomach, small intestine and colon was used to investigate the breakdown of blueberry polyphenols. The catabolic products were isolated and biological effects tested using a normal human colonic epithelial cell line (CRL 1790) and a human colorectal cancer cell line (HT 29). The results showed a high stability of total polyphenols and anthocyanins during simulated gastric digestion step with approximately 93% and 99% of recovery, respectively. Intestinal digestion decreased polyphenol- and anthocyanin- contents by 49% and 15%, respectively, by comparison to the non-digested samples. During chemostat fermentation that simulates colonic digestion, the complex polyphenol mixture was degraded to a limited number of phenolic compounds such as syringic, cinnamic, caffeic, and protocatechuic acids. Only acetylated anthocyanins were detected in low amounts after chemostat fermentation. The catabolites showed lowered antioxidant activity and cell growth inhibition potential. Results suggest that colonic fermentation may alter the biological activity of blueberry polyphenols.

  15. Respirometry applied for biological nitrogen removal process; Aplicacion de la respirometria al tratamiento biologico para la eliminacion del nitrogeno

    Energy Technology Data Exchange (ETDEWEB)

    Serrano, E.

    2004-07-01

    In waste water treatment plants, the Biological Nitrogen Removal (BNR) has acquired a fundamental importance. The BNR processes are Nitrification ( aerobic) and Denitrification (anoxic). Since both processes are carried on living microorganisms, a lack of their bioactivity information might cause serious confusion about their control criteria and following up purposes. For this reason, the Re spirometry applied to those processes has reached an important role by getting an essential information in a timely manner through respiration rate measurements in static and dynamic modes and applications such as AUR (Ammonium Uptake Rate), Nitrification Capacity. RBCOD (Readily Biodegradable COD) as well as AUR related to SRT (Sludge age), RBCOD related to NUR (Specific Nitrate Uptake Rate) and others. By other side in this article we have introduced a not very well known applications related to denitrification, about the methanol acclimatization and generated bioactivity. (Author) 6 refs.

  16. Validity of the Cauchy-Born rule applied to discrete cellular-scale models of biological tissues

    KAUST Repository

    Davit, Y.

    2013-04-30

    The development of new models of biological tissues that consider cells in a discrete manner is becoming increasingly popular as an alternative to continuum methods based on partial differential equations, although formal relationships between the discrete and continuum frameworks remain to be established. For crystal mechanics, the discrete-to-continuum bridge is often made by assuming that local atom displacements can be mapped homogeneously from the mesoscale deformation gradient, an assumption known as the Cauchy-Born rule (CBR). Although the CBR does not hold exactly for noncrystalline materials, it may still be used as a first-order approximation for analytic calculations of effective stresses or strain energies. In this work, our goal is to investigate numerically the applicability of the CBR to two-dimensional cellular-scale models by assessing the mechanical behavior of model biological tissues, including crystalline (honeycomb) and noncrystalline reference states. The numerical procedure involves applying an affine deformation to the boundary cells and computing the quasistatic position of internal cells. The position of internal cells is then compared with the prediction of the CBR and an average deviation is calculated in the strain domain. For center-based cell models, we show that the CBR holds exactly when the deformation gradient is relatively small and the reference stress-free configuration is defined by a honeycomb lattice. We show further that the CBR may be used approximately when the reference state is perturbed from the honeycomb configuration. By contrast, for vertex-based cell models, a similar analysis reveals that the CBR does not provide a good representation of the tissue mechanics, even when the reference configuration is defined by a honeycomb lattice. The paper concludes with a discussion of the implications of these results for concurrent discrete and continuous modeling, adaptation of atom-to-continuum techniques to biological

  17. California Simulation of Evapotranspiration of Applied Water and Agricultural Energy Use in California

    Institute of Scientific and Technical Information of China (English)

    Morteza N Orang; Richard L Snyder; Shu Geng; Quinn J Hart; Sara Sarreshteh; Matthias Falk; Dylan Beaudette; Scott Hayes; Simon Eching

    2013-01-01

    The California Simulation of Evapotranspiration of Applied Water (Cal-SIMETAW) model is a new tool developed by the California Department of Water Resources and the University of California, Davis to perform daily soil water balance and determine crop evapotranspiration (ETc), evapotranspiration of applied water (ETaw), and applied water (AW) for use in California water resources planning. ETaw is a seasonal estimate of the water needed to irrigate a crop assuming 100%irrigation efficiency. The model accounts for soils, crop coefficients, rooting depths, seepage, etc. that influence crop water balance. It provides spatial soil and climate information and it uses historical crop and land-use category information to provide seasonal water balance estimates by combinations of detailed analysis unit and county (DAU/County) over California. The result is a large data base of ETc and ETaw that will be used to update information in the new California Water Plan (CWP). The application uses the daily climate data, i.e., maximum (Tx) and minimum (Tn) temperature and precipitation (Pcp), which were derived from monthly USDA-NRCS PRISM data (PRISM Group 2011) and daily US National Climate Data Center (NCDC) climate station data to cover California on a 4 km×4 km change grid spacing. The application uses daily weather data to determine reference evapotranspiration (ETo), using the Hargreaves-Samani (HS) equation (Hargreaves and Samani 1982, 1985). Because the HS equation is based on temperature only, ETo from the HS equation were compared with CIMIS ETo at the same locations using available CIMIS data to determine correction factors to estimate CIMIS ETo from the HS ETo to account for spatial climate differences. Cal-SIMETAW also employs near real-time reference evapotranspiration (ETo) information from Spatial CIMIS, which is a model that combines weather station data and remote sensing to provide a grid of ETo information. A second database containing the available soil

  18. SIGMA: A Knowledge-Based Simulation Tool Applied to Ecosystem Modeling

    Science.gov (United States)

    Dungan, Jennifer L.; Keller, Richard; Lawless, James G. (Technical Monitor)

    1994-01-01

    The need for better technology to facilitate building, sharing and reusing models is generally recognized within the ecosystem modeling community. The Scientists' Intelligent Graphical Modelling Assistant (SIGMA) creates an environment for model building, sharing and reuse which provides an alternative to more conventional approaches which too often yield poorly documented, awkwardly structured model code. The SIGMA interface presents the user a list of model quantities which can be selected for computation. Equations to calculate the model quantities may be chosen from an existing library of ecosystem modeling equations, or built using a specialized equation editor. Inputs for dim equations may be supplied by data or by calculation from other equations. Each variable and equation is expressed using ecological terminology and scientific units, and is documented with explanatory descriptions and optional literature citations. Automatic scientific unit conversion is supported and only physically-consistent equations are accepted by the system. The system uses knowledge-based semantic conditions to decide which equations in its library make sense to apply in a given situation, and supplies these to the user for selection. "Me equations and variables are graphically represented as a flow diagram which provides a complete summary of the model. Forest-BGC, a stand-level model that simulates photosynthesis and evapo-transpiration for conifer canopies, was originally implemented in Fortran and subsequenty re-implemented using SIGMA. The SIGMA version reproduces daily results and also provides a knowledge base which greatly facilitates inspection, modification and extension of Forest-BGC.

  19. Building a better cell trap: Applying Lagrangian modeling to the design of microfluidic devices for cell biology

    Science.gov (United States)

    Kim, Min-Cheol; Wang, Zhanhui; Lam, Raymond H. W.; Thorsen, Todd

    2008-02-01

    In this report, we show how computational fluid dynamics can be applied to the design of efficient hydrodynamic cell traps in microfluidic devices. Modeled hydrodynamic trap designs included a large, multiple-aperture "C-type" sieve for trapping hundreds of cells, flat single-aperture arrays for single cells, and "U-type" hydrodynamic structures with one or two apertures to confine small clusters of cells (˜10-15 cells per trap). Using 3T3 cells as a model system, the motion of each individual cell was calculated using a one-way coupled Lagrangian method. The cell was assumed to be a solid sphere, and interactions with other cells were only considered when a cell sedimented in the trap. The ordinary differential equations were solved along the cell trajectory for the three components of the velocity and location vector by using the Rosenbrock method based on an adaptive time-stepping technique. Validation of the predictive value of modeling, using 3T3 cells flowed through microfluidic devices containing "U-type sieves" under the simulation flow parameters, showed excellent agreement between experiment and simulation with respect to cell number per trap and the uniformity of cell distribution within individual microchambers. For applications such as on-chip cell culture or high-throughput screening of cell populations within a lab-on-a-chip environment, Lagrangian simulations have the potential to greatly simplify the design process.

  20. POD for Real-Time Simulation of Hyperelastic Soft Biological Tissue Using the Point Collocation Method of Finite Spheres

    Directory of Open Access Journals (Sweden)

    Suleiman Banihani

    2013-01-01

    Full Text Available The point collocation method of finite spheres (PCMFS is used to model the hyperelastic response of soft biological tissue in real time within the framework of virtual surgery simulation. The proper orthogonal decomposition (POD model order reduction (MOR technique was used to achieve reduced-order model of the problem, minimizing computational cost. The PCMFS is a physics-based meshfree numerical technique for real-time simulation of surgical procedures where the approximation functions are applied directly on the strong form of the boundary value problem without the need for integration, increasing computational efficiency. Since computational speed has a significant role in simulation of surgical procedures, the proposed technique was able to model realistic nonlinear behavior of organs in real time. Numerical results are shown to demonstrate the effectiveness of the new methodology through a comparison between full and reduced analyses for several nonlinear problems. It is shown that the proposed technique was able to achieve good agreement with the full model; moreover, the computational and data storage costs were significantly reduced.

  1. STUDY ON SIMULATION EXPERIMENT OF EQUIVALENT MATERIAL APPLIED IN COAL MINE

    Institute of Scientific and Technical Information of China (English)

    柴敬; 苏普正; 刘晋安

    1998-01-01

    Based on simulation experiments of a number of scientific research items, the latestprogress of experiment method and test technique about equivalent material simulation areintroduced. The development of experiment technique makes analogy simulation evolve intoquantitative research about support-surrounding rock relationship from qualitative experiment.From this, large scale stereoscopic simulation experiment is developed, which has neverappeared in underground pressure research in China. The present mold specification is 3.6 m ×2,0 m×l.5 m.

  2. Relief unity emulator and slope stability simulator applied to mass movement occurrence analysis in slope evolution

    Science.gov (United States)

    Colangelo, Antonio C.

    2010-05-01

    This work refers to a part of my "Fellow" thesis "Geomorphosynthesis and Geomorphocinematic applied to slope stability and evolution" (Colangelo, 2007). Relief unity emulator (rue) is a device that permits to synthesize a slope unity by means of a single generatrix profile that determine the initial conditions for application of a set of a geotechnical, hydrological and morphological models. This initial profile is considered in equilibrium with original environmental conditions, and operates in an integrated manner with these models. The aim is to induce a boundary condition on initial profile and produce a new profile: a threshold profile. For this manner and by iterations we generate a set of new profiles that represents, each one, a meta-stable profile, or a descending profile. The evolution of these profiles is in according with the central geomorphologycal concepts of slope retreat, base level change and head retreat. This set of "descending profiles" will be now sliced at topographic equivalent points, that will linked for describe a "topographic equivalence line". The crossing of this kind of isolines with descending profiles composes a 3D slope unity. This descending slope unity is represented by a mesh built for the crossing of these new slope profiles with the topographic equivalence lines and, the result is a four-dimensional meta-stable object integrated to the slope stability simulator (sss). This composite "rue-sss" device operates with 10 main models and 16 variables. The models describe effective stress, shearing resistance, soil saturation level behavior, potential rupture surface depth, critical depth, potential rupture surface critical gradient, critical soil saturation level, top of percolation flow gradient and unit weight of soil. Of this manner, is possible to evaluate effective friction angles and cohesion, critical soil saturation levels, critical gradients for potential rupture surfaces, neutral stress, shear strength, shear stress

  3. Biocorrosion properties of antibacterial Ti-10Cu sintered alloy in several simulated biological solutions.

    Science.gov (United States)

    Liu, Cong; Zhang, Erlin

    2015-03-01

    Ti-10Cu sintered alloy has shown strong antibacterial properties against S. aureus and E. coli and good cell biocompatibility, which displays potential application in dental application. The corrosion behaviors of the alloy in five different simulated biological solutions have been investigated by electrochemical technology, surface observation, roughness measurement and immersion test. Five different simulated solutions were chosen to simulate oral condition, oral condition with F(-) ion, human body fluids with different pH values and blood system. It has been shown that Ti-10Cu alloy exhibits high corrosion rate in Saliva pH 3.5 solution and Saliva pH 6.8 + 0.2F solution but low corrosion rate in Hank's, Tyrode's and Saliva pH 6.8 solutions. The corrosion rate of Ti-10Cu alloy was in a order of Hank's, Tyrode's, Saliva pH 6.8, Saliva-pH 3.5 and Saliva pH 6.8 + 0.2F from slow to fast. All results indicated acid and F(-) containing conditions prompt the corrosion reaction of Ti-Cu alloy. It was suggested that the Cu ion release in the biological environments, especially in the acid and F(-) containing condition would lead to high antibacterial properties without any cell toxicity, displaying wide potential application of this alloy.

  4. Applying Reduced Generator Models in the Coarse Solver of Parareal in Time Parallel Power System Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Duan, Nan [ORNL; Dimitrovski, Aleksandar D [ORNL; Simunovic, Srdjan [ORNL; Sun, Kai [University of Tennessee (UT)

    2016-01-01

    The development of high-performance computing techniques and platforms has provided many opportunities for real-time or even faster-than-real-time implementation of power system simulations. One approach uses the Parareal in time framework. The Parareal algorithm has shown promising theoretical simulation speedups by temporal decomposing a simulation run into a coarse simulation on the entire simulation interval and fine simulations on sequential sub-intervals linked through the coarse simulation. However, it has been found that the time cost of the coarse solver needs to be reduced to fully exploit the potentials of the Parareal algorithm. This paper studies a Parareal implementation using reduced generator models for the coarse solver and reports the testing results on the IEEE 39-bus system and a 327-generator 2383-bus Polish system model.

  5. Simulation models applied to practical learning and skill enhancement in direct and indirect ophthalmoscopy: a review

    Directory of Open Access Journals (Sweden)

    Lucas Holderegger Ricci

    2014-10-01

    Full Text Available The purpose of this review was to analyze and describe simulation methods for practical learning and training of the ophthalmoscopy exam and to organize them into specific topics relative to each principle of operation, while evaluating their preliminary results. A critical review of articles that described and evaluated simulated models for ophthalmoscopy published in the last ten years (2004-2014 was performed. One hundred articles about ophthalmology and simulation were found in national and international periodicals, but only a few discussed the examination of the posterior pole of the eye. For this study, 25 articles were considered; those articles described simulation methods, general concepts, and its actual use in ophthalmoscopy. There were many different simulation methods described, but only few articles proved their efficacy or performed a comparison between models. Review of this topic may give information for the critical analysis of the simulation devices and ideas for the development of new ones.

  6. Numerical simulation and experiment of optothermal response of biological tissue irradiated by continuous xenon lamp

    Institute of Scientific and Technical Information of China (English)

    Meizhen Huang; Yaxing Tong

    2012-01-01

    A finite element method computation model for analyzing optothermal interaction of polychromatic light and biology tissue is proposed and proven by experiment.A continuous xenon lamp is employed as an example.First,the spectral energy distribution of the xenon lamp is measured and found to be equivalent to a series of quasi-chromatic light with different central wavelengths,different energies,and certain bandwidth.Next,according to the reported thermal and optical parameters of porcine skin and porcine liver,the temporal temperature distributions of these tissues irradiated by each quasi-chromatic light are simulated.Then,the thermal effect is superimposed to obtain the whole optothermal temporal temperature distribution.Moreover,the optothermal response experiments of fresh porcine skin and porcine liver tissues irradiated by continuous xenon lamp are carried out.The results of the simulation and experiment are analyzed and compared,and are found to be commendably matched.

  7. Simulation and applications of a novel modified SBR system for biological nutrient removal.

    Science.gov (United States)

    Wu, W; Timpany, P; Dawson, B

    2001-01-01

    Dynamic simulation and applications of a novel, continuous-fed, constant level modified sequencing batch reactor for biological nutrient removal are presented. The underlying mathematical model and practical applications of the simulation are discussed. Case studies are presented to illustrate the applications as well as the flexibility of the system in meeting different wastewater treatment requirements. Operation experience from full-scale wastewater treatment plant demonstrates the reliability, ease of operation and high efficiency of the system. Average BOD5, total nitrogen, total phosphorus and TSS removals of 97, 81, 88 and 94% are achieved respectively on an annual basis with little operator attention. Consistently high waste activated sludge concentrations are demonstrated, averaging approximately 20,000 mg/L.

  8. Biological Membranes in Extreme Conditions: Simulations of Anionic Archaeal Tetraether Lipid Membranes.

    Directory of Open Access Journals (Sweden)

    Luis Felipe Pineda De Castro

    Full Text Available In contrast to the majority of organisms that have cells bound by di-ester phospholipids, archaeal membranes consist of di- and tetraether phospholipids. Originating from organisms that withstand harsh conditions (e.g., low pH and a wide range of temperatures such membranes have physical properties that make them attractive materials for biological research and biotechnological applications. We developed force-field parameters based on the widely used Generalized Amber Force Field (GAFF to enable the study of anionic tetraether membranes of the model archaean Sulfolobus acidocaldarius by computer simulations. The simulations reveal that the physical properties of these unique membranes depend on the number of cyclopentane rings included in each lipid unit, and on the size of cations that are used to ensure charge neutrality. This suggests that the biophysical properties of Sulfolobus acidocaldarius cells depend not only on the compositions of their membranes but also on the media in which they grow.

  9. Biological Membranes in Extreme Conditions: Simulations of Anionic Archaeal Tetraether Lipid Membranes

    Science.gov (United States)

    Pineda De Castro, Luis Felipe; Dopson, Mark

    2016-01-01

    In contrast to the majority of organisms that have cells bound by di-ester phospholipids, archaeal membranes consist of di- and tetraether phospholipids. Originating from organisms that withstand harsh conditions (e.g., low pH and a wide range of temperatures) such membranes have physical properties that make them attractive materials for biological research and biotechnological applications. We developed force-field parameters based on the widely used Generalized Amber Force Field (GAFF) to enable the study of anionic tetraether membranes of the model archaean Sulfolobus acidocaldarius by computer simulations. The simulations reveal that the physical properties of these unique membranes depend on the number of cyclopentane rings included in each lipid unit, and on the size of cations that are used to ensure charge neutrality. This suggests that the biophysical properties of Sulfolobus acidocaldarius cells depend not only on the compositions of their membranes but also on the media in which they grow. PMID:27167213

  10. On the Optimum Architecture of the Biologically Inspired Hierarchical Temporal Memory Model Applied to the Hand-Written Digit Recognition

    Science.gov (United States)

    Štolc, Svorad; Bajla, Ivan

    2010-01-01

    In the paper we describe basic functions of the Hierarchical Temporal Memory (HTM) network based on a novel biologically inspired model of the large-scale structure of the mammalian neocortex. The focus of this paper is in a systematic exploration of possibilities how to optimize important controlling parameters of the HTM model applied to the classification of hand-written digits from the USPS database. The statistical properties of this database are analyzed using the permutation test which employs a randomization distribution of the training and testing data. Based on a notion of the homogeneous usage of input image pixels, a methodology of the HTM parameter optimization is proposed. In order to study effects of two substantial parameters of the architecture: the patch size and the overlap in more details, we have restricted ourselves to the single-level HTM networks. A novel method for construction of the training sequences by ordering series of the static images is developed. A novel method for estimation of the parameter maxDist based on the box counting method is proposed. The parameter sigma of the inference Gaussian is optimized on the basis of the maximization of the belief distribution entropy. Both optimization algorithms can be equally applied to the multi-level HTM networks as well. The influences of the parameters transitionMemory and requestedGroupCount on the HTM network performance have been explored. Altogether, we have investigated 2736 different HTM network configurations. The obtained classification accuracy results have been benchmarked with the published results of several conventional classifiers.

  11. A simulation benchmark to evaluate the performance of advanced control techniques in biological wastewater treatment plants

    Directory of Open Access Journals (Sweden)

    Sotomayor O.A.Z.

    2001-01-01

    Full Text Available Wastewater treatment plants (WWTP are complex systems that incorporate a large number of biological, physicochemical and biochemical processes. They are large and nonlinear systems subject to great disturbances in incoming loads. The primary goal of a WWTP is to reduce pollutants and the second goal is disturbance rejection, in order to obtain good effluent quality. Modeling and computer simulations are key tools in the achievement of these two goals. They are essential to describe, predict and control the complicated interactions of the processes. Numerous control techniques (algorithms and control strategies (structures have been suggested to regulate WWTP; however, it is difficult to make a discerning performance evaluation due to the nonuniformity of the simulated plants used. The main objective of this paper is to present a benchmark of an entire biological wastewater treatment plant in order to evaluate, through simulations, different control techniques. This benchmark plays the role of an activated sludge process used for removal of organic matter and nitrogen from domestic effluents. The development of this simulator is based on models widely accepted by the international community and is implemented in Matlab/Simulink (The MathWorks, Inc. platform. The benchmark considers plant layout and the effects of influent characteristics. It also includes a test protocol for analyzing the open and closed-loop responses of the plant. Examples of control applications in the benchmark are implemented employing conventional PI controllers. The following common control strategies are tested: dissolved oxygen (DO concentration-based control, respirometry-based control and nitrate concentration-based control.

  12. Rings and ladders in biology - fast ab initio simulations of polypeptides and DNA.

    Science.gov (United States)

    Lewis, James P.

    1996-03-01

    Throughout the years, developments of first principles methods have allowed a theoretical investigation of a wide variety of materials from semiconductors to zeolites. However, ab initio methods have not been widespread in the area of large biological systems. Several recent advances in theoretical techniques have prompted us to examine the possibility of simulating large biological systems. Linear scaling methods have been developed to avoid the N^3 computational roadblock due to matrix diagonalization, and a hydrogen-bonding model has been developed to correctly model weak intermolecular interactions within a tight-binding like local orbital framework.(J. Ortega, J. P. Lewis, O. F. Sankey Phys. Rev. B. 50), 10516 (1994); J. P. Lewis and O. F. Sankey, Biophys. J. 69, 1068 (1995). With these developments, a simulation of a dehydrated 10 basepair poly(dG) -- poly(dC) segment of DNA will be described. Results for the electronic structure of this relaxed structure will be discussed. In addition, a simulation of this relaxed structure, involving 1932 steps, was performed to determine the dynamical matrix. The corresponding vibrational spectrum was found and trends will be compared with experimental work.(Work done in collaboration with Otto F. Sankey and Pablo Ordejón) In addition, theoretical results on the energetics, electronic, vibrational and elastic properties of cyclic peptide systems cyclo[(D-Ala-Glu-D-Ala-Gln)_m], where m=1-4, will be presented. Experimentally, these cyclic peptide nanotubes have been shown to be excellent for transporting of ions and glucose across membranes, the attempt to simulate the placement of a dopant into the nanotube structure and the effects on the electronic structure will be discussed.(Work done in collaboration with Otto F. Sankey and Norma H. Pawley)

  13. Molecular dynamics simulations of biological membranes and membrane proteins using enhanced conformational sampling algorithms.

    Science.gov (United States)

    Mori, Takaharu; Miyashita, Naoyuki; Im, Wonpil; Feig, Michael; Sugita, Yuji

    2016-07-01

    This paper reviews various enhanced conformational sampling methods and explicit/implicit solvent/membrane models, as well as their recent applications to the exploration of the structure and dynamics of membranes and membrane proteins. Molecular dynamics simulations have become an essential tool to investigate biological problems, and their success relies on proper molecular models together with efficient conformational sampling methods. The implicit representation of solvent/membrane environments is reasonable approximation to the explicit all-atom models, considering the balance between computational cost and simulation accuracy. Implicit models can be easily combined with replica-exchange molecular dynamics methods to explore a wider conformational space of a protein. Other molecular models and enhanced conformational sampling methods are also briefly discussed. As application examples, we introduce recent simulation studies of glycophorin A, phospholamban, amyloid precursor protein, and mixed lipid bilayers and discuss the accuracy and efficiency of each simulation model and method. This article is part of a Special Issue entitled: Membrane Proteins edited by J.C. Gumbart and Sergei Noskov.

  14. SBMLSimulator: A Java Tool for Model Simulation and Parameter Estimation in Systems Biology

    Directory of Open Access Journals (Sweden)

    Alexander Dörr

    2014-12-01

    Full Text Available The identification of suitable model parameters for biochemical reactions has been recognized as a quite difficult endeavor. Parameter values from literature or experiments can often not directly be combined in complex reaction systems. Nature-inspired optimization techniques can find appropriate sets of parameters that calibrate a model to experimentally obtained time series data. We present SBMLsimulator, a tool that combines the Systems Biology Simulation Core Library for dynamic simulation of biochemical models with the heuristic optimization framework EvA2. SBMLsimulator provides an intuitive graphical user interface with various options as well as a fully-featured command-line interface for large-scale and script-based model simulation and calibration. In a parameter estimation study based on a published model and artificial data we demonstrate the capability of SBMLsimulator to identify parameters. SBMLsimulator is useful for both, the interactive simulation and exploration of the parameter space and for the large-scale model calibration and estimation of uncertain parameter values.

  15. DripFume: A Visual Basic Program For Simulating Distribution And Atmospheric Volatilization Of Soil Fumigants Applied Through Drip Irrigation

    Science.gov (United States)

    A Windows-based graphical user interface program (DripFume) was developed in MS Visual Basic (VB) to utilize a two-dimensional multi-phase finite element pesticide transport model to simulate distribution and emission of volatile fumigant chemicals when applied through drip irrigation or shank injec...

  16. Punk Rock Fish: Applying a Conceptual Framework of Simulations in a High School Science Classroom

    Science.gov (United States)

    Helms, Samuel

    2009-01-01

    Like other learning tools, simulations benefit from an instructional context. To use Gagne and Briggs' model as an example, the learner should first be reminded of the prerequisite learnings, informed of the objectives, and his/her attention gained before being presented with the learning material. Research regarding simulations in education…

  17. Biologic

    CERN Document Server

    Kauffman, L H

    2002-01-01

    In this paper we explore the boundary between biology and the study of formal systems (logic). In the end, we arrive at a summary formalism, a chapter in "boundary mathematics" where there are not only containers but also extainers ><, entities open to interaction and distinguishing the space that they are not. The boundary algebra of containers and extainers is to biologic what boolean algebra is to classical logic. We show how this formalism encompasses significant parts of the logic of DNA replication, the Dirac formalism for quantum mechanics, formalisms for protein folding and the basic structure of the Temperley Lieb algebra at the foundations of topological invariants of knots and links.

  18. A simulation method for the study of laser transillumination of biological tissues.

    Science.gov (United States)

    Maarek, J M; Jarry, G; de Cosnac, B; Lansiart, A; Bui-Mong-Hung

    1984-01-01

    The Monte-Carlo method is employed to simulate the illumination of a blood slab by a continuous laser. It is assumed that the geometry of the medium is bidimensional and that scattering or absorption takes place only when a photon strikes a red blood cell. The parameters involved in the calculations concern the photons free path lengths between two collisions, the scattering angles and the absorption probability at collision. These parameters are assessed according to experimental or literature data. Fortran programs allow the computation of diffuse and collimated transmittances (Td and Tc, respectively), of transmittance measured with an optic fiber Tf and of reflectance R. The variations of Tc and Tf with blood thickness are in accordance with established laws. Moreover, measured and computed reflectances change with hematocrit ratio in a similar way. This work demonstrates that the Monte-Carlo method is a simple reliable tool which can be used to provide a realistic model of laser penetration in complex biological structures. Moreover, this method will permit investigations in laser tomo-spectrometry by providing a useful simulation of the interaction of ultrashort light pulses with biological media.

  19. Particle-based model to simulate the micromechanics of biological cells

    Science.gov (United States)

    van Liedekerke, P.; Tijskens, E.; Ramon, H.; Ghysels, P.; Samaey, G.; Roose, D.

    2010-06-01

    This paper is concerned with addressing how biological cells react to mechanical impulse. We propose a particle based model to numerically study the mechanical response of these cells with subcellular detail. The model focuses on a plant cell in which two important features are present: (1) the cell’s interior liquidlike phase inducing hydrodynamic phenomena, and (2) the cell wall, a viscoelastic solid membrane that encloses the protoplast. In this particle modeling framework, the cell fluid is modeled by a standard smoothed particle hydrodynamics (SPH) technique. For the viscoelastic solid phase (cell wall), a discrete element method (DEM) is proposed. The cell wall hydraulic conductivity (permeability) is built in through a constitutive relation in the SPH formulation. Simulations show that the SPH-DEM model is in reasonable agreement with compression experiments on an in vitro cell and with analytical models for the basic dynamical modes of a spherical liquid filled shell. We have performed simulations to explore more complex situations such as relaxation and impact, thereby considering two cell types: a stiff plant type and a soft animal-like type. Their particular behavior (force transmission) as a function of protoplasm and cell wall viscosity is discussed. We also show that the mechanics during and after cell failure can be modeled adequately. This methodology has large flexibility and opens possibilities to quantify problems dealing with the response of biological cells to mechanical impulses, e.g., impact, and the prediction of damage on a (sub)cellular scale.

  20. Potential impacts from biological aerosols on ensembles of continental clouds simulated numerically

    Directory of Open Access Journals (Sweden)

    V. T. J. Phillips

    2009-06-01

    Full Text Available An aerosol-cloud modeling framework is described to simulate the activation of ice particles and droplets by biological aerosol particles, such as airborne ice-nucleation active (INA bacteria. It includes the empirical parameterisation of heterogeneous ice nucleation and a semi-prognostic aerosol component, which have been incorporated into a cloud-system resolving model (CSRM with double-moment bulk microphysics. The formation of cloud liquid by soluble material coated on these partially insoluble organic aerosols is represented. It determines their partial removal from deep convective clouds by accretion onto precipitation in the cloud model. This "aerosol-cloud model" is validated for diverse cases of deep convection with contrasting aerosol conditions, against satellite, ground-based and aircraft observations.

    Simulations are performed with the aerosol-cloud model for a month-long period of summertime convective activity over Oklahoma. It includes three cases of continental deep convection simulated previously by Phillips and Donner (2006. Elevated concentrations of insoluble organic aerosol, boosted by a factor of 100 beyond their usual values for this continental region, are found to influence significantly the following quantities: (1 the average numbers and sizes of ice crystals and droplets in the clouds; (2 the horizontal cloud coverage in the free troposphere; (3 precipitation at the ground; and (4 incident solar insolation at the surface. This factor of 100 is plausible for natural fluctuations of the concentration of insoluble organic aerosol, in view of variability of cell concentrations for airborne bacteria seen by Lindemann et al. (1982.

    In nature, such boosting of the insoluble organic aerosol loading could arise from enhanced emissions of biological aerosol particles from a land surface. Surface wetness and solar insolation at the ground are meteorological quantities known to influence rates of growth of

  1. Simulation of a Congress at the Chair of Biology II in Bioengineering

    Science.gov (United States)

    Naranjo, A. V.; Reznichenco, V.; López, N.; Hernández, R.; Bajinay, S.

    2007-11-01

    This work has been developed in the Chair of Biology II, the curricular contents of which correspond to Human Anatomy. This subject is taught in the second semester of the second year of studies in Bioengineering. Our main objective is that the students attending the course may integrate the syllabus contents of Anatomy with those of other subjects in the career. Ever since 1998 we have organized a congress named Congreso Intracátedra de Biología II (Intra Chair Congress on Biology II). This is the last assignment in the semester and is compulsory for regular students of the subject. It consists in simulating a scientific congress with international characteristics. The guidelines for the congress are made known to the students at the beginning of the semester. In groups of up to three members, the students must undertake a work that relates aspects of Anatomy with Bioengineering. Students are expected to investigate on diagnostic and/or therapeutic technology in order to write a paper that must be accepted in advance of the event. The presentation of the work must be made through PowerPoint. The originality of the research work done and the wide range of topics selected are surprising. Problems are tackled from the standpoints both of the various medical fields and of bioengineering despite the fact that they are just students of the second year in Bioengineering.

  2. A computational systems biology software platform for multiscale modeling and simulation: Integrating whole-body physiology, disease biology, and molecular reaction networks

    Directory of Open Access Journals (Sweden)

    Thomas eEissing

    2011-02-01

    Full Text Available Today, in silico studies and trial simulations already complement experimental approaches in pharmaceutical R&D and have become indispensable tools for decision making and communication with regulatory agencies. While biology is multi-scale by nature, project work and software tools usually focus on isolated aspects of drug action, such as pharmacokinetics at the organism scale or pharmacodynamic interaction on the molecular level. We present a modeling and simulation software platform consisting of PK-Sim® and MoBi® capable of building and simulating models that integrate across biological scales. A prototypical multiscale model for the progression of a pancreatic tumor and its response to pharmacotherapy is constructed and virtual patients are treated with a prodrug activated by hepatic metabolization. Tumor growth is driven by signal transduction leading to cell cycle transition and proliferation. Free tumor concentrations of the active metabolite inhibit Raf kinase in the signaling cascade and thereby cell cycle progression. In a virtual clinical study, the individual therapeutic outcome of the chemotherapeutic intervention is simulated for a large population with heterogeneous genomic background. Thereby, the platform allows efficient model building and integration of biological knowledge and prior data from all biological scales. Experimental in vitro model systems can be linked with observations in animal experiments and clinical trials. The interplay between patients, diseases, and drugs and topics with high clinical relevance such as the role of pharmacogenomics, drug-drug or drug-metabolite interactions can be addressed using this mechanistic, insight driven multiscale modeling approach.

  3. A computational systems biology software platform for multiscale modeling and simulation: integrating whole-body physiology, disease biology, and molecular reaction networks.

    Science.gov (United States)

    Eissing, Thomas; Kuepfer, Lars; Becker, Corina; Block, Michael; Coboeken, Katrin; Gaub, Thomas; Goerlitz, Linus; Jaeger, Juergen; Loosen, Roland; Ludewig, Bernd; Meyer, Michaela; Niederalt, Christoph; Sevestre, Michael; Siegmund, Hans-Ulrich; Solodenko, Juri; Thelen, Kirstin; Telle, Ulrich; Weiss, Wolfgang; Wendl, Thomas; Willmann, Stefan; Lippert, Joerg

    2011-01-01

    Today, in silico studies and trial simulations already complement experimental approaches in pharmaceutical R&D and have become indispensable tools for decision making and communication with regulatory agencies. While biology is multiscale by nature, project work, and software tools usually focus on isolated aspects of drug action, such as pharmacokinetics at the organism scale or pharmacodynamic interaction on the molecular level. We present a modeling and simulation software platform consisting of PK-Sim(®) and MoBi(®) capable of building and simulating models that integrate across biological scales. A prototypical multiscale model for the progression of a pancreatic tumor and its response to pharmacotherapy is constructed and virtual patients are treated with a prodrug activated by hepatic metabolization. Tumor growth is driven by signal transduction leading to cell cycle transition and proliferation. Free tumor concentrations of the active metabolite inhibit Raf kinase in the signaling cascade and thereby cell cycle progression. In a virtual clinical study, the individual therapeutic outcome of the chemotherapeutic intervention is simulated for a large population with heterogeneous genomic background. Thereby, the platform allows efficient model building and integration of biological knowledge and prior data from all biological scales. Experimental in vitro model systems can be linked with observations in animal experiments and clinical trials. The interplay between patients, diseases, and drugs and topics with high clinical relevance such as the role of pharmacogenomics, drug-drug, or drug-metabolite interactions can be addressed using this mechanistic, insight driven multiscale modeling approach.

  4. Development of a Procedure to Apply Detailed Chemical Kinetic Mechanisms to CFD Simulations as Post Processing

    DEFF Research Database (Denmark)

    Skjøth-Rasmussen, Martin Skov; Glarborg, Peter; Jensen, Anker;

    2003-01-01

    It is desired to make detailed chemical kinetic mechanisms applicable to the complex geometries of practical combustion devices simulated with computational fluid dynamics tools. This work presents a novel general approach to combining computational fluid dynamics and a detailed chemical kinetic...... mechanism. It involves post-processing of data extracted from computational fluid dynamics simulations. Application of this approach successfully describes combustion chemistry in a standard swirl burner, the so-called Harwell furnace. Nevertheless, it needs validation against more complex combustion models...

  5. Simulation model of discret events applied to the planning and operation of a toll plaza

    OpenAIRE

    2016-01-01

    AbstractThis work investigates the congestion and traffic flow in a tool plaza, and proposes a methodology for the classification of highway flows and its service levels based on a combination of the Highway Capacity Manual – HCM and Discrete Events Simulation fundaments. The proposed mesoscopic simulation is used to analyze service levels of different physical and operational arrangements of a particular toll gate. The model considers speed functions, toll gate arrivals and departures,...

  6. Implementation of a Large Eddy Simulation Method Applied to Recirculating Flow in a Ventilated Room

    DEFF Research Database (Denmark)

    Davidson, Lars

    In the present work Large Eddy Simulations are presented. The flow in a ventilated enclosure is studied. We use an explicit, two-steps time-advancement scheme where the pressure is solved from a Poisson equation.......In the present work Large Eddy Simulations are presented. The flow in a ventilated enclosure is studied. We use an explicit, two-steps time-advancement scheme where the pressure is solved from a Poisson equation....

  7. Backscatter and depolarization measurements of aerosolized biological simulants using a chamber lidar system

    Science.gov (United States)

    Brown, David M.; Thrush, Evan P.; Thomas, Michael E.; Santarpia, Josh; Quizon, Jason; Carter, Christopher C.

    2010-04-01

    To ensure agent optical cross sections are well understood from the UV to the LWIR, volume integrated measurements of aerosolized agent material at a few key wavelengths is required to validate existing simulations. Ultimately these simulations will be used to assess the detection performance of various classes of lidar technology spanning the entire range of the optical spectrum. The present work demonstrates an optical measurement architecture based on lidar allowing the measurement of backscatter and depolarization ratio from biological aerosols released in a refereed, 1-m cubic chamber. During 2009, various upgrades have been made to the chamber LIDAR system, which operates at 1.064 μm with sub nanosecond pulses at a 120 Hz repetition rate. The first build of the system demonstrated a sensitivity of aerosolized Bacillus atrophaeus (BG) on the order of 5×105 ppl with 1 GHz InGaAs detectors. To increase the sensitivity and reduce noise, the InGaAs detectors were replaced with larger-area silicon avalanche photodiodes for the second build of the system. In addition, computer controlled step variable neutral density filters are now incorporated to facilitate calibrating the system for absolute back-scatter measurements. Calibrated hard target measurements will be combined with data from the ground truth instruments for cross-section determination of the material aerosolized in the chamber. Measured results are compared to theoretical simulations of cross-sections.

  8. PROTEIN TEACHING: AN APPROACH FOR TEACHER TRAINING APPLIED TO STUDENTS OF THE BIOLOGICAL SCIENCES COURSE AT UFRN

    Directory of Open Access Journals (Sweden)

    J. K.S. NASCIMENTO et al

    2015-08-01

    Full Text Available Teaching biochemistry in higher education is increasingly becoming a challenge. It is notoriously difficult for students to assimilate the topic; in addition there are many complaints about the complexity of subjects and a lack of integration with the day-to-day. A recurrent problem in undergraduate courses is the absence of teaching practice in specific disciplines. This work aimed to stimulate students in the biological sciences course who were enrolled in the discipline of MOLECULAR DIVERSITY (MD, to create hypothetical classes focused on basic education highlighting the proteins topic. The methodology was applied in a class that contained 35 students. Seven groups were formed, and each group chose a protein to be used as a source of study for elementary school classes. A lesson plan was created focusing on the methodology that the group would use to manage a class. The class was to be presented orally. Students were induced to be creative and incorporate a teacher figure, and to propose teaching methodologies for research using the CTS approach (Science, Technology and Society. Each group presented a three-dimensional structure of the protein they had chosen, explained their structural features and functions and how they would develop the theme for a class of basic education, and what kind of methodology they would use for this purpose. At the end of the presentations, a questionnaire was given to students in order to evaluate the effectiveness of the methodology in the teaching-learning process. The activity improved the teacher’s training and developed skills and abilities, such as creativity, didactical planning, teaching ability, development of educational models and the use of new technologies. The methodology used in this work was extremely important to the training of future teachers, who were able to better understand the content covered in the discipline and relate it to day-to-day life.

  9. Visualization in simulation tools: requirements and a tool specification to support the teaching of dynamic biological processes.

    Science.gov (United States)

    Jørgensen, Katarina M; Haddow, Pauline C

    2011-08-01

    Simulation tools are playing an increasingly important role behind advances in the field of systems biology. However, the current generation of biological science students has either little or no experience with such tools. As such, this educational glitch is limiting both the potential use of such tools as well as the potential for tighter cooperation between the designers and users. Although some simulation tool producers encourage their use in teaching, little attempt has hitherto been made to analyze and discuss their suitability as an educational tool for noncomputing science students. In general, today's simulation tools assume that the user has a stronger mathematical and computing background than that which is found in most biological science curricula, thus making the introduction of such tools a considerable pedagogical challenge. This paper provides an evaluation of the pedagogical attributes of existing simulation tools for cell signal transduction based on Cognitive Load theory. Further, design recommendations for an improved educational simulation tool are provided. The study is based on simulation tools for cell signal transduction. However, the discussions are relevant to a broader biological simulation tool set.

  10. Applying model simulation and photochemical indicators to evaluate ozone sensitivity in southern Taiwan

    Institute of Scientific and Technical Information of China (English)

    Yen-Ping Peng1; Kang-Shin Chen2; Hsin-Kai Wang2; Chia-Hsiang Lai3; Ming-Hsun Lin4; Cheng-Haw Lee4

    2011-01-01

    Ozone sensitivity was investigated using CAMx simulations and photochemical indicator ratios at three sites (Pingtung City, ChaoChou Town, and Kenting Town) in Pingtung County in southern Taiwan during 2003 and 2004.The CAMx simulations compared fairly well with the hourly concentrations of ozone.Simulation results also showed that Pingtung City was mainly a volatile organic compounds (VOC)-sensitive regime, while Chao-Chou Town was either a VOC-sensitive or a NOx-sensitive regime, depending on the seasons.Measurements of three photochemical indicators (H202, HNO3, and NOy) were conducted, and simulated three transition ranges of H202/HNO3 (0.5-0.8), O3/HNO3 (10.3-16.2) and O3/NOy (5.7-10.8) were adopted to assess the ozone sensitive regime at the three sites.The results indicated that the three transition ranges yield consistent results with CAMx simulations at most times at Pingtung City.However, both VOC-sensitive and NOx-sensitive regimes were important at the rural site Chao-Chou Town.Kenting Town, a touring site at the southern end of Taiwan, was predominated by a NOx-sensitive regime in four seasons.

  11. A simple atmospheric boundary layer model applied to large eddy simulations of wind turbine wakes

    DEFF Research Database (Denmark)

    Troldborg, Niels; Sørensen, Jens Nørkær; Mikkelsen, Robert Flemming

    2014-01-01

    boundary type technique where volume forces are used to introduce wind shear and atmospheric turbulence. The application of the model for wake studies is demonstrated by combining it with the actuator line method, and predictions are compared with field measurements. Copyright © 2013 John Wiley & Sons, Ltd.......A simple model for including the influence of the atmospheric boundary layer in connection with large eddy simulations of wind turbine wakes is presented and validated by comparing computed results with measurements as well as with direct numerical simulations. The model is based on an immersed...

  12. Dynamic simulation and modeling of the motion modes produced during the 3D controlled manipulation of biological micro/nanoparticles based on the AFM.

    Science.gov (United States)

    Saraee, Mahdieh B; Korayem, Moharam H

    2015-08-01

    Determining the motion modes and the exact position of a particle displaced during the manipulation process is of special importance. This issue becomes even more important when the studied particles are biological micro/nanoparticles and the goals of manipulation are the transfer of these particles within body cells, repair of cancerous cells and the delivery of medication to damaged cells. However, due to the delicate nature of biological nanoparticles and their higher vulnerability, by obtaining the necessary force of manipulation for the considered motion mode, we can prevent the sample from interlocking with or sticking to the substrate because of applying a weak force or avoid damaging the sample due to the exertion of excessive force. In this paper, the dynamic behaviors and the motion modes of biological micro/nanoparticles such as DNA, yeast, platelet and bacteria due to the 3D manipulation effect have been investigated. Since the above nanoparticles generally have a cylindrical shape, the cylindrical contact models have been employed in an attempt to more precisely model the forces exerted on the nanoparticle during the manipulation process. Also, this investigation has performed a comprehensive modeling and simulation of all the possible motion modes in 3D manipulation by taking into account the eccentricity of the applied load on the biological nanoparticle. The obtained results indicate that unlike the macroscopic scale, the sliding of nanoparticle on substrate in nano-scale takes place sooner than the other motion modes and that the spinning about the vertical and transverse axes and the rolling of nanoparticle occur later than the other motion modes. The simulation results also indicate that the applied force necessary for the onset of nanoparticle movement and the resulting motion mode depend on the size and aspect ratio of the nanoparticle.

  13. Simulation of forest growth, applied to Douglas fir stands in The Netherlands.

    NARCIS (Netherlands)

    Mohren, G.M.J.

    1987-01-01

    Forest growth in relation to weather and soils is studied using a physiological simulation model. Growth potential depends on physiological characteristics of the plant species in combination with ambient weather conditions (mainly temperature and incoming radiation). For a given site, growth may be

  14. Analysis, Modelling, and Simulation of Droop Control with Virtual Impedance Loop Applied to Parallel UPS Systems

    DEFF Research Database (Denmark)

    Lima, Francisco Kleber A.; Branco, Carlos Gustavo C.; Guerrero, Josep M.;

    2013-01-01

    is difficult due to its physical location. This paper has considered that the UPS systems there were no comunication between their controls. A detailed mathematical model about the explored system is shown in that work and simulation results are presented in order to prove the theory presented....

  15. Modeling and simulation of pit chemistry of 304 austenitic stainless steel under applied stress in sodium chloride solution

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Yuhui, E-mail: yhhuang@ecust.edu.cn [Key Laboratory of Pressure Systems and Safety, MOE, School of Mechanical and Power Engineering, East China University of Science and Technology, Shanghai 200237 (China); Tu, Shan-Tung; Xuan, Fu-Zhen [Key Laboratory of Pressure Systems and Safety, MOE, School of Mechanical and Power Engineering, East China University of Science and Technology, Shanghai 200237 (China)

    2013-04-15

    Highlights: ► A corrosion model was developed to simulate a stressed metal surface with a pit. ► The stress state in the pit bottom was coupled with the local corrosion environment. ► An analytical expression was established for current density of deformed pit surface. ► Local deformation had a strong effect on potential and species concentration in pits. -- Abstract: A mathematical model for simulating the active dissolution of a pit on stressed metal surface had been developed. Based on active dissolution mechanism, dissolution current density on the pit surface was assumed and extended through accounting for the thermal activation energy and the multiaxial stress state in pit bottom. The influence of applied tensile stress, pit radius and temperature was addressed. The distribution of solution potential and species concentration was predicted for different applied tensile stresses based on finite element calculations.

  16. Polarizable Mean-Field Model of Water for Biological Simulations with Amber and Charmm force fields

    CERN Document Server

    Leontyev, Igor

    2015-01-01

    Although a great number of computational models of water are available today, the majority of current biological simulations are done with simple models, such as TIP3P and SPC, developed almost thirty years ago and only slightly modified since then. The reason is that the non-polarizable force fields that are mostly used to describe proteins and other biological molecules are incompatible with more sophisticated modern polarizable models of water. The issue is electronic polarizability: in liquid state, in protein, and in vacuum the water molecule is polarized differently, and therefore has different properties; thus the only way to describe all these different media with the same model is to use a polarizable water model. However, to be compatible with the force field of the rest of the system, e.g. a protein, the latter should be polarizable as well. Here we describe a novel model of water that is in effect polarizable, and yet compatible with the standard non-polarizable force fields such as AMBER, CHARMM,...

  17. Modification of PRETOR Code to Be Applied to Transport Simulation in Stellarators

    Energy Technology Data Exchange (ETDEWEB)

    Fontanet, J.; Castejon, F.; Dies, J.; Fontdecaba, J.; Alejaldre, C.

    2001-07-01

    The 1.5 D transport code PRETOR, that has been previously used to simulate tokamak plasmas, has been modified to perform transport analysis in stellarator geometry. The main modifications that have been introduced in the code are related with the magnetic equilibrium and with the modelling of energy and particle transport. Therefore, PRETOR- Stellarator version has been achieved and the code is suitable to perform simulations on stellarator plasmas. As an example, PRETOR- Stellarator has been used in the transport analysis of several Heliac Flexible TJ-II shots, and the results are compared with those obtained using PROCTR code. These results are also compared with the obtained using the tokamak version of PRETOR to show the importance of the introduced changes. (Author) 18 refs.

  18. The element-based finite volume method applied to petroleum reservoir simulation

    Energy Technology Data Exchange (ETDEWEB)

    Cordazzo, Jonas; Maliska, Clovis R.; Silva, Antonio F.C. da; Hurtado, Fernando S.V. [Universidade Federal de Santa Catarina (UFSC), Florianopolis, SC (Brazil). Dept. de Engenharia Mecanica

    2004-07-01

    In this work a numerical model for simulating petroleum reservoirs using the Element-based Finite Volume Method (EbFVM) is presented. The method employs unstructured grids using triangular and/or quadrilateral elements, such that complex reservoir geometries can be easily represented. Due to the control-volume approach, local mass conservation is enforced, permitting a direct physical interpretation of the resulting discrete equations. It is demonstrated that this method can deal with the permeability maps without averaging procedures, since this scheme assumes uniform properties inside elements, instead inside of control volumes, avoiding the need of weighting the permeability values at the control volumes interfaces. Moreover, it is easy to include the full permeability tensor in this method, which is an important issue in simulating heterogeneous and anisotropic reservoirs. Finally, a comparison among the results obtained using the scheme proposed in this work in the EbFVM framework with those obtained employing the scheme commonly used in petroleum reservoir simulation is presented. It is also shown that the scheme proposed is less susceptible to the grid orientation effect with the increasing of the mobility ratio. (author)

  19. Simulation based efficiency prediction of a Brushless DC drive applied in ventricular assist devices.

    Science.gov (United States)

    Pohlmann, André; Hameyer, Kay

    2012-01-01

    Ventricular Assist Devices (VADs) are mechanical blood pumps that support the human heart in order to maintain a sufficient perfusion of the human body and its organs. During VAD operation blood damage caused by hemolysis, thrombogenecity and denaturation has to be avoided. One key parameter causing the blood's denaturation is its temperature which must not exceed 42 °C. As a temperature rise can be directly linked to the losses occuring in the drive system, this paper introduces an efficiency prediction chain for Brushless DC (BLDC) drives which are applied in various VAD systems. The presented chain is applied to various core materials and operation ranges, providing a general overview on the loss dependencies.

  20. Deriving efficient policy portfolios promoting sustainable energy systems-Case studies applying Invert simulation tool

    Energy Technology Data Exchange (ETDEWEB)

    Kranzl, Lukas; Stadler, Michael; Huber, Claus; Haas, Reinhard [Energy Economics Group, Vienna University of Technology, Gusshausstrasse 28/29/373-2A, 1040 Vienna (Austria); Ragwitz, Mario; Brakhage, Anselm [Fraunhofer Institute for Systems and Innovation Research, Breslauer Strasse 48, D-76139 Karlsruhe (Germany); Gula, Adam; Figorski, Arkadiusz [Faculty of Fuels and Energy, AGH University of Science and Technology, Al. Mickiewicza 30, PL-30-059 Krakow (Poland)

    2006-12-15

    Within recent years, energy policies have imposed a number of targets at European and national level for rational use of energy (RUE), renewable energy sources (RES) and related CO{sub 2} reductions. As a result, a wide variety of policy instruments is currently implemented and hence the question arises: how can these instruments be designed in a way to reach the maximum policy target with the minimum public money spent? The objective of this paper is to derive a methodology for obtaining efficient policy portfolios promoting sustainable energy systems depending on the policy target and show corresponding results from case studies in Austria, Germany and Poland. The investigations were carried out by application of Invert simulation tool, a computer model developed for simulating the impacts of various promotion schemes for renewable and efficient energy systems. With this tool, the CO{sub 2} reductions and related public expenses have been calculated for various policy mixes. In the building-related energy sector, it turned out that in all investigated regions support schemes for supply side measures are the most cost-efficient instruments. However, their potential is restricted and for achieving higher levels of CO{sub 2} reduction, promotion of demand side measures is indispensable. The paper shows that for a comprehensive comparison of policy portfolios, there are always two dimensions to be considered: efficiency and effectiveness. The more effective, i.e. the higher the implementation rate of a scheme, the more essential becomes the efficiency criteria. (author)

  1. Electron Energy-Loss Spectroscopy Theory and Simulation Applied to Nanoparticle Plasmonics

    Science.gov (United States)

    Bigelow, Nicholas Walker

    In this dissertation, the capacity of electron energy-loss spectroscopy (EELS) to probe plasmons is examined in detail. EELS is shown to be able to detect both electric hot spots and Fano resonances in contrast to the prevailing knowledge prior to this work. The most detailed examination of magnetoplasmonic resonances in multi-ring structures to date and the utility of electron tomography to computational plasmonics is explored, and a new tomographic method for the reconstruction of a target is introduced. Since the observation of single-molecule surface-enhanced Raman scattering (SMSERS) in 1997, questions regarding the nature of the electromagnetic hot spots responsible for such observations still persist. A computational analysis of the electron- and photon-driven surface-plasmon resonances of monomer and dimer metal nanorods is presented to elucidate the differences and similarities between the two excitation mechanisms in a system with well understood optical properties. By correlating the nanostructure's simulated electron energy loss spectrum and loss-probability maps with its induced polarization and scattered electric field we discern how certain plasmon modes are selectively excited and how they funnel energy from the excitation source into the near- and far-field. Using a fully retarded electron-scattering theory capable of describing arbitrary three-dimensional nanoparticle geometries, aggregation schemes, and material compositions, we find that electron energy-loss spectroscopy (EELS) is able to indirectly probe the same electromagnetic hot spots that are generated by an optical excitation source. EELS is then employed in a scanning transmission electron microscope (STEM) to obtain maps of the localized surface plasmon modes of SMSERS-active nanostructures, which are resolved in both space and energy. Single-molecule character is confirmed by the bianalyte approach using two isotopologues of Rhodamine 6G. The origins of this observation are explored

  2. Final Technical Report for "Applied Mathematics Research: Simulation Based Optimization and Application to Electromagnetic Inverse Problems"

    Energy Technology Data Exchange (ETDEWEB)

    Haber, Eldad

    2014-03-17

    The focus of research was: Developing adaptive mesh for the solution of Maxwell's equations; Developing a parallel framework for time dependent inverse Maxwell's equations; Developing multilevel methods for optimization problems with inequal- ity constraints; A new inversion code for inverse Maxwell's equations in the 0th frequency (DC resistivity); A new inversion code for inverse Maxwell's equations in low frequency regime. Although the research concentrated on electromagnetic forward and in- verse problems the results of the research was applied to the problem of image registration.

  3. Biological effects of simulated microgravity on human umbilical vein endothelial cell line HUVEC-C

    Science.gov (United States)

    Liu, Ming; Cheng, Zhenlong; Liang, Shujian; Sun, Yeqing

    Microgravity has been reported to have multiple influences on human cells. To investigate the biological effects of simulated microgravity on human endothelial cells, human umbilical vein endothelial cell HUVEC-C was treated with microgravity for 24 hours and restored at 1 g gravity for extra 24 hours (group 1) and 48 hours and restored for 24 hours (group 2). Microgravity was simulated by using a two-dimensionally rotating clinostat, set on 30 rpm. As controls, cells were cultured paralleled at 1 g gravity. Two groups of treated cells and control cells were harvested at 0, 12, 24, 48 and 72 (for group 2 and control only) hours for proliferation, cell cycles, apoptosis, proteome and microarray analysis. The influences of microgravity on cell proliferation were controversial in previous reports, and in our experiment, inhibitory effect was observed at 12 hour, and cell number of the treatment groups presented 9.26% decrease compared with that of control. Cell cycle distribution was analyzed using flow cytometry. The G2/M cell cycle arrest also occurred at 12 hour in both treatment groups, the cell rates at G2/M phase were 24% higher than in control. Effect of simulated microgravity on cell apoptosis was observed only after 48-hour-treatment, resulted in percentage of apoptotic cells increased by 53-67% compared with control. After cells returned to normal conditions for 24 hours, levels of cell proliferation, cell cycle and cell apoptosis in treatment groups were comparable to control. In order to investigate the molecular mechanism, we analyzed the treated cells at proteomic and transcriptomic levels respectively. Two-dimensional electrophoresis showed that after 24- hour-restoration under normal conditions, 189 proteins in control group disappeared and 187 new proteins presented in group 1; 469 proteins disappeared and 291 new proteins presented in group 2. By using microarray, we found that expression levels of 56 genes were up-regulated and 45 down-regulated in

  4. Applying flexible molecular docking to simulate protein retention behavior in hydrophobic interaction chromatography

    Institute of Scientific and Technical Information of China (English)

    ZHOU; Peng; TIAN; FeiFei; LI; ZhiLiang

    2007-01-01

    Interaction between proteins and stationary phase in hydrophobic interaction chromatography (HIC) is differentiated into two thermodynamic processes involving direct nonbonding/conformation interaction and surface hydrophobic effect of proteins, hence quantitatively giving rise to a binary linear relation between HIC retention time (RT) at concentrated salting liquid and ligand-protein binding free energy. Then, possible binding manners for 27 proteins of known crystal structures with hydrophobic ligands are simulated and analyzed via ICM flexible molecular docking and genetic algorithm, with results greatly consistent with experimental values. By investigation, it is confirmed local hydrophobic effects of proteins and nonbinding/conformation interaction between ligand and protein both notably influence HIC chromatogram retention behaviors, mainly focusing on exposed portions on the protein surface.

  5. Simulation applied to working frequency selection in large-scale vibrating screen's design

    Institute of Scientific and Technical Information of China (English)

    PENG Chen-yu; SU Rong-hua

    2011-01-01

    The working frequency selection of the ZK30525 vibrating screen was studied using ANSYS.Integrating the dynamic performance simulation analysis of the vibrating screen structure,the variation laws of beams' vibration displacements changing with different exciting frequencies were researched.These beams include six beams,with one discharging beam and one in-material beam.Results indicate that vibration displacements in the middle of these beams increase with the augmentation of exciting frequency.When exciting frequency exceeds a certain value,there exists a flat change region for vibration displacement.According to vibrator characteristics,the vibrating screen's working frequency should be selected in the flat change region,and be far away from modal frequencies.The study provides theoretical guidance for the reasonable working frequency selection of the large-scale vibrating screen.

  6. Parallel Sparse Matrix Solver on the GPU Applied to Simulation of Electrical Machines

    CERN Document Server

    Rodrigues, Antonio Wendell De Oliveira; Menach, Yvonnick Le; Dekeyser, Jean-Luc

    2010-01-01

    Nowadays, several industrial applications are being ported to parallel architectures. In fact, these platforms allow acquire more performance for system modelling and simulation. In the electric machines area, there are many problems which need speed-up on their solution. This paper examines the parallelism of sparse matrix solver on the graphics processors. More specifically, we implement the conjugate gradient technique with input matrix stored in CSR, and Symmetric CSR and CSC formats. This method is one of the most efficient iterative methods available for solving the finite-element basis functions of Maxwell's equations. The GPU (Graphics Processing Unit), which is used for its implementation, provides mechanisms to parallel the algorithm. Thus, it increases significantly the computation speed in relation to serial code on CPU based systems.

  7. Applying Statistical Design to Control the Risk of Over-Design with Stochastic Simulation

    Directory of Open Access Journals (Sweden)

    Yi Wu

    2010-02-01

    Full Text Available By comparing a hard real-time system and a soft real-time system, this article elicits the risk of over-design in soft real-time system designing. To deal with this risk, a novel concept of statistical design is proposed. The statistical design is the process accurately accounting for and mitigating the effects of variation in part geometry and other environmental conditions, while at the same time optimizing a target performance factor. However, statistical design can be a very difficult and complex task when using clas-sical mathematical methods. Thus, a simulation methodology to optimize the design is proposed in order to bridge the gap between real-time analysis and optimization for robust and reliable system design.

  8. Improvement of Hydrological Simulations by Applying Daily Precipitation Interpolation Schemes in Meso-Scale Catchments

    Directory of Open Access Journals (Sweden)

    Mateusz Szcześniak

    2015-02-01

    Full Text Available Ground-based precipitation data are still the dominant input type for hydrological models. Spatial variability in precipitation can be represented by spatially interpolating gauge data using various techniques. In this study, the effect of daily precipitation interpolation methods on discharge simulations using the semi-distributed SWAT (Soil and Water Assessment Tool model over a 30-year period is examined. The study was carried out in 11 meso-scale (119–3935 km2 sub-catchments lying in the Sulejów reservoir catchment in central Poland. Four methods were tested: the default SWAT method (Def based on the Nearest Neighbour technique, Thiessen Polygons (TP, Inverse Distance Weighted (IDW and Ordinary Kriging (OK. =The evaluation of methods was performed using a semi-automated calibration program SUFI-2 (Sequential Uncertainty Fitting Procedure Version 2 with two objective functions: Nash-Sutcliffe Efficiency (NSE and the adjusted R2 coefficient (bR2. The results show that: (1 the most complex OK method outperformed other methods in terms of NSE; and (2 OK, IDW, and TP outperformed Def in terms of bR2. The median difference in daily/monthly NSE between OK and Def/TP/IDW calculated across all catchments ranged between 0.05 and 0.15, while the median difference between TP/IDW/OK and Def ranged between 0.05 and 0.07. The differences between pairs of interpolation methods were, however, spatially variable and a part of this variability was attributed to catchment properties: catchments characterised by low station density and low coefficient of variation of daily flows experienced more pronounced improvement resulting from using interpolation methods. Methods providing higher precipitation estimates often resulted in a better model performance. The implication from this study is that appropriate consideration of spatial precipitation variability (often neglected by model users that can be achieved using relatively simple interpolation methods can

  9. Rapid MCNP simulation of DNA double strand break (DSB) relative biological effectiveness (RBE) for photons, neutrons, and light ions.

    Science.gov (United States)

    Stewart, Robert D; Streitmatter, Seth W; Argento, David C; Kirkby, Charles; Goorley, John T; Moffitt, Greg; Jevremovic, Tatjana; Sandison, George A

    2015-11-07

    To account for particle interactions in the extracellular (physical) environment, information from the cell-level Monte Carlo damage simulation (MCDS) for DNA double strand break (DSB) induction has been integrated into the general purpose Monte Carlo N-particle (MCNP) radiation transport code system. The effort to integrate these models is motivated by the need for a computationally efficient model to accurately predict particle relative biological effectiveness (RBE) in cell cultures and in vivo. To illustrate the approach and highlight the impact of the larger scale physical environment (e.g. establishing charged particle equilibrium), we examined the RBE for DSB induction (RBEDSB) of x-rays, (137)Cs γ-rays, neutrons and light ions relative to γ-rays from (60)Co in monolayer cell cultures at various depths in water. Under normoxic conditions, we found that (137)Cs γ-rays are about 1.7% more effective at creating DSB than γ-rays from (60)Co (RBEDSB  =  1.017) whereas 60-250 kV x-rays are 1.1 to 1.25 times more efficient at creating DSB than (60)Co. Under anoxic conditions, kV x-rays may have an RBEDSB up to 1.51 times as large as (60)Co γ-rays. Fission neutrons passing through monolayer cell cultures have an RBEDSB that ranges from 2.6 to 3.0 in normoxic cells, but may be as large as 9.93 for anoxic cells. For proton pencil beams, Monte Carlo simulations suggest an RBEDSB of about 1.2 at the tip of the Bragg peak and up to 1.6 a few mm beyond the Bragg peak. Bragg peak RBEDSB increases with decreasing oxygen concentration, which may create opportunities to apply proton dose painting to help address tumor hypoxia. Modeling of the particle RBE for DSB induction across multiple physical and biological scales has the potential to aid in the interpretation of laboratory experiments and provide useful information to advance the safety and effectiveness of hadron therapy in the treatment of cancer.

  10. Rapid MCNP simulation of DNA double strand break (DSB) relative biological effectiveness (RBE) for photons, neutrons, and light ions

    Science.gov (United States)

    Stewart, Robert D.; Streitmatter, Seth W.; Argento, David C.; Kirkby, Charles; Goorley, John T.; Moffitt, Greg; Jevremovic, Tatjana; Sandison, George A.

    2015-11-01

    To account for particle interactions in the extracellular (physical) environment, information from the cell-level Monte Carlo damage simulation (MCDS) for DNA double strand break (DSB) induction has been integrated into the general purpose Monte Carlo N-particle (MCNP) radiation transport code system. The effort to integrate these models is motivated by the need for a computationally efficient model to accurately predict particle relative biological effectiveness (RBE) in cell cultures and in vivo. To illustrate the approach and highlight the impact of the larger scale physical environment (e.g. establishing charged particle equilibrium), we examined the RBE for DSB induction (RBEDSB) of x-rays, 137Cs γ-rays, neutrons and light ions relative to γ-rays from 60Co in monolayer cell cultures at various depths in water. Under normoxic conditions, we found that 137Cs γ-rays are about 1.7% more effective at creating DSB than γ-rays from 60Co (RBEDSB  =  1.017) whereas 60-250 kV x-rays are 1.1 to 1.25 times more efficient at creating DSB than 60Co. Under anoxic conditions, kV x-rays may have an RBEDSB up to 1.51 times as large as 60Co γ-rays. Fission neutrons passing through monolayer cell cultures have an RBEDSB that ranges from 2.6 to 3.0 in normoxic cells, but may be as large as 9.93 for anoxic cells. For proton pencil beams, Monte Carlo simulations suggest an RBEDSB of about 1.2 at the tip of the Bragg peak and up to 1.6 a few mm beyond the Bragg peak. Bragg peak RBEDSB increases with decreasing oxygen concentration, which may create opportunities to apply proton dose painting to help address tumor hypoxia. Modeling of the particle RBE for DSB induction across multiple physical and biological scales has the potential to aid in the interpretation of laboratory experiments and provide useful information to advance the safety and effectiveness of hadron therapy in the treatment of cancer.

  11. Symbolic dynamics applied to a numerical simulation of a perturbed Hill's spherical vortex

    Science.gov (United States)

    Arenson, Joshua; Smith, Spencer; Mitchell, Kevin

    2016-11-01

    In the classic Hill's spherical vortex flow an invariant sphere prevents material inside the vortex from mixing with material outside. Here, we apply an additional shear and rotational flow to break the symmetry of the vortex, thereby allowing mixing of the material inside and outside. The resulting system exhibits fully 3D chaotic advection. We consider the scattering of passive tracers that are drawn into and then ejected from the vortex. Here we focus on the numerical computation of fractal scattering functions-the time trapped within the vortex as a function of two impact parameters. We then compare the fractal self-similarity of these scattering functions to those predicted by 3D homotopic lobe dynamics-a new symbolic method of describing topological dynamics.

  12. Biophysically realistic filament bending dynamics in agent-based biological simulation.

    Science.gov (United States)

    Alberts, Jonathan B

    2009-01-01

    An appealing tool for study of the complex biological behaviors that can emerge from networks of simple molecular interactions is an agent-based, computational simulation that explicitly tracks small-scale local interactions--following thousands to millions of states through time. For many critical cell processes (e.g. cytokinetic furrow specification, nuclear centration, cytokinesis), the flexible nature of cytoskeletal filaments is likely to be critical. Any computer model that hopes to explain the complex emergent behaviors in these processes therefore needs to encode filament flexibility in a realistic manner. Here I present a numerically convenient and biophysically realistic method for modeling cytoskeletal filament flexibility in silico. Each cytoskeletal filament is represented by a series of rigid segments linked end-to-end in series with a variable attachment point for the translational elastic element. This connection scheme allows an empirically tuning, for a wide range of segment sizes, viscosities, and time-steps, that endows any filament species with the experimentally observed (or theoretically expected) static force deflection, relaxation time-constant, and thermal writhing motions. I additionally employ a unique pair of elastic elements--one representing the axial and the other the bending rigidity- that formulate the restoring force in terms of single time-step constraint resolution. This method is highly local -adjacent rigid segments of a filament only interact with one another through constraint forces-and is thus well-suited to simulations in which arbitrary additional forces (e.g. those representing interactions of a filament with other bodies or cross-links / entanglements between filaments) may be present. Implementation in code is straightforward; Java source code is available at www.celldynamics.org.

  13. Biophysically realistic filament bending dynamics in agent-based biological simulation.

    Directory of Open Access Journals (Sweden)

    Jonathan B Alberts

    Full Text Available An appealing tool for study of the complex biological behaviors that can emerge from networks of simple molecular interactions is an agent-based, computational simulation that explicitly tracks small-scale local interactions--following thousands to millions of states through time. For many critical cell processes (e.g. cytokinetic furrow specification, nuclear centration, cytokinesis, the flexible nature of cytoskeletal filaments is likely to be critical. Any computer model that hopes to explain the complex emergent behaviors in these processes therefore needs to encode filament flexibility in a realistic manner. Here I present a numerically convenient and biophysically realistic method for modeling cytoskeletal filament flexibility in silico. Each cytoskeletal filament is represented by a series of rigid segments linked end-to-end in series with a variable attachment point for the translational elastic element. This connection scheme allows an empirically tuning, for a wide range of segment sizes, viscosities, and time-steps, that endows any filament species with the experimentally observed (or theoretically expected static force deflection, relaxation time-constant, and thermal writhing motions. I additionally employ a unique pair of elastic elements--one representing the axial and the other the bending rigidity- that formulate the restoring force in terms of single time-step constraint resolution. This method is highly local -adjacent rigid segments of a filament only interact with one another through constraint forces-and is thus well-suited to simulations in which arbitrary additional forces (e.g. those representing interactions of a filament with other bodies or cross-links / entanglements between filaments may be present. Implementation in code is straightforward; Java source code is available at www.celldynamics.org.

  14. Design and simulation of the space vector modulation and applied to a load RL powered by a voltage inverter

    Directory of Open Access Journals (Sweden)

    Marouane El Azzaoui

    2016-07-01

    Full Text Available The vector control performance applied to rotating machines depends largely on static and dynamic characteristics of the inverter associated with it. The development of the pulse-width modulation (PWM provided greater flexibility in the control of the converters. The objective of this work is to construct a simplified and practical space vector modulation (SVM based on the selection of the sequence and the calculation of the conduction time or extinction. We have presented the blocks of the simulation vector modulation on the Matlab / Simulink with a new method for determining conduction time and analyzed its application on a load RL supplied by a voltage inverter. The performance of the proposed method has been presented by the simulation results.

  15. Numerical simulation of three-dimensional unsteady flow in a scroll expander applied in waste heat recovery

    Science.gov (United States)

    Song, P. P.; Wei, M. S.; Shi, L.; Ma, C. C.

    2013-12-01

    Three-dimensional numerical simulations of a scroll expander were performed with dynamic mesh technology. R245fa was selected as the working fluid in the simulations. The PISO algorithm was applied to solve the governing equations with RNG k-ε turbulent model. The distribution and variation of three-dimensional flow field inside the scroll expander were obtained. The research indicates that the flow field is nonuniform and asymmetrical distributions exist inside the expander. Vortex flows also exist in some working chambers. Dynamic clearance leakage flows and inlet orifice throttling have great effects on the flow field distribution. Transient output torque and the mass flux have periodic fluctuations during the working cycles.

  16. Applying Cellular Automata for Simulating and Assessing Urban Growth Scenario Based in Nairobi, Kenya

    Directory of Open Access Journals (Sweden)

    Kenneth Mubea

    2014-01-01

    Full Text Available This research explores urban growth based scenarios for the city of Nairobi using a cellular automata urban growth model (UGM. African cities have experienced rapid urbanization over the last decade due to increased population growth and high economic activities. We used multi-temporal Landsat imageries for 1976, 1986, 2000 and 2010 to investigate urban land-use changes in Nairobi. Our UGM used data from urban land-use of 1986 and 2010, road data, slope data and exclusion layer. Monte-Carlo technique was used for model calibration and Multi Resolution Validation (MRV technique for validation. Simulation of urban land-use was done up to the year 2030 when Kenya plans to attain Vision 2030. Three scenarios were explored in the urban modelling process; unmanaged growth with no restriction on environmental areas, managed growth with moderate protection, and a managed growth with maximum protection on forest, agricultural areas, and urban green. Thus alternative scenario development using UGM is useful for planning purposes so as to ensure sustainable development is achieved. UGM provides quantitative, visual, spatial and temporal information which aid policy and decision makers can make informed decisions.

  17. Predictive simulation of granular flows applied to compressible multiphase flow modeling

    Science.gov (United States)

    Goetsch, Ryan J.; Regele, Jonathan D.

    2014-11-01

    Multiphase flows have been an active area of research for decades due to their complex nature and occurrence in many engineering applications. However, little information exists about the dense compressible flow regime. Recent experimental work [Wagner et al., Exp. Fluids 52, 1507 (2012)] using a multiphase shock tube has studied gas-solid flows with high solid volume fractions (α = 0 . 2) by measuring shock wave-particle cloud interactions. It is still unclear what occurs at the particle scale inside and behind the particle cloud during this interaction. The objective of this work is to perform direct numerical simulations to understand this phenomena. With this goal in mind, a discrete element method (DEM) solver was developed to predict the properties of a particle cloud formed by gravity driven granular flow through a slit opening. For validation purposes, the results are compared with experimental channel flow data. It is found that the mean velocity profile and mass flow rates correlate well with the experiment, however the fluctuation velocities are significantly under-predicted for both smooth and rough wall cases.

  18. Business-oriented modeling and Simulation: Dynamic Scorecard method Applied the Formularization of Strategies

    Directory of Open Access Journals (Sweden)

    Josué Vitor

    2007-12-01

    Full Text Available The main goal of this research was to application the “Scorecard Dinâmico” method onstrategic formulation process in a small business. This method incorporate qualitative andsimulation tools from System Dynamics in the strategic map provided by Balanced Scorecardmaking the strategic management flexible in accordance with the organizational realitycomplexity. The research method adopted was the “research-action” and it was possible,with participating observation, the construction of strategic models on interaction with thecompany directors. During this process, it could be assessed organizing points thatinterfering in formulation of strategy of a small business during the research. Through thisprocess, company members mental models were explained in strategic map and qualitativemodels resulting on a simulation tool for control the results and alternative prospection offuture strategies and a higher level of learning organizational. As a result, it could be pointedthe method difficult implantation in virtue of the absence quantitative data and a higherunderstanding by the research participants of the problem resulting from the systemicstructural behavior in the small business.

  19. Estimating the Mass of the Local Group using Machine Learning Applied to Numerical Simulations

    CERN Document Server

    McLeod, Michael; Lahav, Ofer; Hoffman, Yehuda

    2016-01-01

    We revisit the estimation of the combined mass of the Milky Way and Andromeda (M31), which dominate the mass of the Local Group. We make use of an ensemble of 30,190 halo pairs from the Small MultiDark simulation, assuming a $\\Lambda$CDM (Cosmological Constant with Cold Dark Matter) cosmology, to investigate the relationship between the bound mass and parameters characterising the orbit of the binary and their local environment with the aid of machine learning methods (artificial neural networks, ANN). Results from the ANN are most successful when information about the velocity shear is provided, which demonstrates the flexibility of machine learning to model physical phenomena and readily incorporate new information as it becomes available. The resulting estimate for the Local Group mass, when shear information is included, is $4.9 \\times 10^{12} M_\\odot$, with an error of $\\pm0.8 \\times 10^{12} M_\\odot$ from the 68% uncertainty in observables, and a 68% confidence interval of $^{+1.3}_{-1.4} \\times 10^{12}M...

  20. Accretion Disc Time Lag Distributions: Applying CREAM to Simulated AGN Light Curves

    CERN Document Server

    Starkey, David; Villforth, Carolin

    2015-01-01

    Active Galactic Nuclei (AGN) vary in their brightness across all wavelengths. Moreover, longer wavelength ultraviolet - optical continuum light curves appear to be delayed with respect to shorter wavelength light curves. A simple way to model these delays is by assuming thermal reprocessing of a variable point source (a lamp post) by a blackbody accretion disc. We introduce a new method, CREAM (\\textbf{C}ontinuum \\textbf{RE}processed \\textbf{A}GN \\textbf{M}arkov Chain Monte Carlo), that models continuum variations using this lamp post model. The disc light curves lag the lamp post emission with a time delay distribution sensitive to the disc temperature-radius profile and inclination. We test CREAM's ability to recover both inclination and product of black hole mass and accretion rate $\\mmdot$, and show that the code is also able to infer the shape of the driving light curve. CREAM is applied to synthetic light curves expected from 1000 second exposures of a 17th magnitude AGN with a 2m telescope in Sloan g a...

  1. Accretion disc time lag distributions: applying CREAM to simulated AGN light curves

    Science.gov (United States)

    Starkey, D. A.; Horne, Keith; Villforth, C.

    2016-02-01

    Active galactic nuclei (AGN) vary in their brightness across all wavelengths. Moreover, longer wavelength ultraviolet-optical continuum light curves appear to be delayed with respect to shorter wavelength light curves. A simple way to model these delays is by assuming thermal reprocessing of a variable point source (a lamp post) by a blackbody accretion disc. We introduce a new method, CREAM (Continuum REprocessed AGN Markov Chain Monte Carlo), that models continuum variations using this lamp post model. The disc light curves lag the lamp post emission with a time delay distribution sensitive to the disc temperature-radius profile and inclination. We test CREAM's ability to recover both inclination and product of black hole mass and accretion rate {Mdot{M}}, and show that the code is also able to infer the shape of the driving light curve. CREAM is applied to synthetic light curves expected from 1000 s exposures of a 17th magnitude AGN with a 2-m telescope in Sloan g and i bands with Signal-to-Noise Ratio (SNR) of 500-900 depending on the filter and lunar phase. We also test CREAM on poorer quality g and i light curves with SNR = 100. We find in the high-SNR case that CREAM can recover the accretion disc inclination to within an uncertainty of 5° and an {Mdot{M}} to within 0.04 dex.

  2. Knowledge Mining Based on Environmental Simulation Applied to Wind Farm Power Forecasting

    Directory of Open Access Journals (Sweden)

    Dongxiao Niu

    2013-01-01

    Full Text Available Considering the inherent variability and uncertainty of wind power generation, in this study, a self-organizing map (SOM combined with rough set theory clustering technique (RST is proposed to extract the relative knowledge and to choose the most similar history situation and efficient data for wind power forecasting with numerical weather prediction (NWP. Through integrating the SOM and RST methods to cluster the historical data into several classes, the approach could find the similar days and excavate the hidden rules. According to the data reprocessing, the selected samples will improve the forecast accuracy echo state network (ESN trained by the class of the forecasting day that is adopted to forecast the wind power output accordingly. The developed methods are applied to a case of power forecasting in a wind farm located in northwest of China with wind power data from April 1, 2008, to May 6, 2009. In order to verify its effectiveness, the performance of the proposed method is compared with the traditional backpropagation neural network (BP. The results demonstrated that knowledge mining led to a promising improvement in the performance for wind farm power forecasting.

  3. Simulated influence of postweaning production system on performance of different biological types of cattle: III. Biological efficiency.

    Science.gov (United States)

    Williams, C B; Bennett, G L; Keele, J W

    1995-03-01

    Methods were developed and incorporated into a previously published computer model to predict ME intake and calculate biological efficiencies in terms of grams of empty BW (EBW) and fat-free matter (FFM) gained/megacalorie of ME consumed from weaning to slaughter. Efficiencies were calculated for steers from F1 crosses of 16 sire breeds (Hereford, Angus, Jersey, South Devon, Limousin, Simmental, Charolais, Red Poll, Brown Swiss, Gelbvieh, Maine Anjou, Chianina, Brahman, Sahiwal, Pinzgauer, and Tarentaise) mated to Hereford and Angus dams, grown under nine backgrounding systems, finished at either a low (1.0 kg) or high (1.36 kg) ADG, and slaughtered at 300 kg carcass weight, small or greater degree of marbling, and 28% carcass fat. Backgrounding systems were high ADG (.9 kg) for 111, 167, or 222 d, medium ADG (.5 kg) for 200, 300, or 400 d, and low ADG (.25 kg) for 300 or 400 d, and 0 d backgrounding. The high ADG finishing system was more biologically efficient than the low ADG finishing system, and generally backgrounding systems were less biologically efficient than direct finishing after weaning (0 d backgrounding). Large-framed breeds were more efficient at the constant carcass weight and carcass fatness end point, and breeds that achieved the marbling end point at low levels of carcass fatness were more efficient at this end point. Some small-framed breeds gained EBW more efficiently but gained FFM less efficiently than some of the large-framed breeds. Variation in efficiency between genotypes was greatest with 0 d backgrounding and decreased in the other backgrounding systems.

  4. How molecular should your molecular model be? On the level of molecular detail required to simulate biological networks in systems and synthetic biology.

    Science.gov (United States)

    Gonze, Didier; Abou-Jaoudé, Wassim; Ouattara, Djomangan Adama; Halloy, José

    2011-01-01

    The recent advance of genetic studies and the rapid accumulation of molecular data, together with the increasing performance of computers, led researchers to design more and more detailed mathematical models of biological systems. Many modeling approaches rely on ordinary differential equations (ODE) which are based on standard enzyme kinetics. Michaelis-Menten and Hill functions are indeed commonly used in dynamical models in systems and synthetic biology because they provide the necessary nonlinearity to make the dynamics nontrivial (i.e., limit-cycle oscillations or multistability). For most of the systems modeled, the actual molecular mechanism is unknown, and the enzyme equations should be regarded as phenomenological. In this chapter, we discuss the validity and accuracy of these approximations. In particular, we focus on the validity of the Michaelis-Menten function for open systems and on the use of Hill kinetics to describe transcription rates of regulated genes. Our discussion is illustrated by numerical simulations of prototype systems, including the Repressilator (a genetic oscillator) and the Toggle Switch model (a bistable system). We systematically compare the results obtained with the compact version (based on Michaelis-Menten and Hill functions) with its corresponding developed versions (based on "elementary" reaction steps and mass action laws). We also discuss the use of compact approaches to perform stochastic simulations (Gillespie algorithm). On the basis of these results, we argue that using compact models is suitable to model qualitatively biological systems.

  5. Simulated evolution applied to study the genetic code optimality using a model of codon reassignments

    Directory of Open Access Journals (Sweden)

    Monteagudo Ángel

    2011-02-01

    Full Text Available Abstract Background As the canonical code is not universal, different theories about its origin and organization have appeared. The optimization or level of adaptation of the canonical genetic code was measured taking into account the harmful consequences resulting from point mutations leading to the replacement of one amino acid for another. There are two basic theories to measure the level of optimization: the statistical approach, which compares the canonical genetic code with many randomly generated alternative ones, and the engineering approach, which compares the canonical code with the best possible alternative. Results Here we used a genetic algorithm to search for better adapted hypothetical codes and as a method to guess the difficulty in finding such alternative codes, allowing to clearly situate the canonical code in the fitness landscape. This novel proposal of the use of evolutionary computing provides a new perspective in the open debate between the use of the statistical approach, which postulates that the genetic code conserves amino acid properties far better than expected from a random code, and the engineering approach, which tends to indicate that the canonical genetic code is still far from optimal. We used two models of hypothetical codes: one that reflects the known examples of codon reassignment and the model most used in the two approaches which reflects the current genetic code translation table. Although the standard code is far from a possible optimum considering both models, when the more realistic model of the codon reassignments was used, the evolutionary algorithm had more difficulty to overcome the efficiency of the canonical genetic code. Conclusions Simulated evolution clearly reveals that the canonical genetic code is far from optimal regarding its optimization. Nevertheless, the efficiency of the canonical code increases when mistranslations are taken into account with the two models, as indicated by the

  6. First Steps in Computational Systems Biology: A Practical Session in Metabolic Modeling and Simulation

    Science.gov (United States)

    Reyes-Palomares, Armando; Sanchez-Jimenez, Francisca; Medina, Miguel Angel

    2009-01-01

    A comprehensive understanding of biological functions requires new systemic perspectives, such as those provided by systems biology. Systems biology approaches are hypothesis-driven and involve iterative rounds of model building, prediction, experimentation, model refinement, and development. Developments in computer science are allowing for ever…

  7. Biological activity of green-synthesized silver nanoparticles depends on the applied natural extracts: a comprehensive study

    Science.gov (United States)

    Rónavári, Andrea; Kovács, Dávid; Igaz, Nóra; Vágvölgyi, Csaba; Boros, Imre Miklós; Kónya, Zoltán; Pfeiffer, Ilona; Kiricsi, Mónika

    2017-01-01

    Due to obvious disadvantages of the classical chemical methods, green synthesis of metallic nanoparticles has attracted tremendous attention in recent years. Numerous environmentally benign synthesis methods have been developed yielding nanoparticles via low-cost, eco-friendly, and simple approaches. In this study, our aim was to determine the suitability of coffee and green tea extracts in green synthesis of silver nanoparticles as well as to compare the performance of the obtained materials in different biological systems. We successfully produced silver nanoparticles (C-AgNP and GT-AgNP) using coffee and green tea extracts; moreover, based on our comprehensive screening, we delineated major differences in the biological activity of C-AgNPs and GT-AgNPs. Our results indicate that although GT-AgNPs exhibited excellent antimicrobial activity against all the examined microbial pathogens, these particles were also highly toxic to mammalian cells, which limits their potential applications. On the contrary, C-AgNPs manifested substantial inhibitory action on the tested microbes but were nontoxic to human and mouse cells, indicating an outstanding capacity to discriminate between potential pathogens and mammalian cells. These results clearly show that the various green materials used for stabilization and for reduction of metal ions have a defining role in determining and fine-tuning the biological activity of the obtained nanoparticles. PMID:28184158

  8. FOREWORD: Third Nordic Symposium on Computer Simulation in Physics, Chemistry, Biology and Mathematics

    Science.gov (United States)

    Kaski, K.; Salomaa, M.

    1990-01-01

    These are Proceedings of the Third Nordic Symposium on Computer Simulation in Physics, Chemistry, Biology, and Mathematics, held August 25-26, 1989, at Lahti (Finland). The Symposium belongs to an annual series of Meetings, the first one of which was arranged in 1987 at Lund (Sweden) and the second one in 1988 at Kolle-Kolle near Copenhagen (Denmark). Although these Symposia have thus far been essentially Nordic events, their international character has increased significantly; the trend is vividly reflected through contributions in the present Topical Issue. The interdisciplinary nature of Computational Science is central to the activity; this fundamental aspect is also responsible, in an essential way, for its rapidly increasing impact. Crucially important to a wide spectrum of superficially disparate fields is the common need for extensive - and often quite demanding - computational modelling. For such theoretical models, no closed-form (analytical) solutions are available or they would be extremely difficult to find; hence one must rather resort to the Art of performing computational investigations. Among the unifying features in the computational research are the methods of simulation employed; methods which frequently are quite closely related with each other even for faculties of science that are quite unrelated. Computer simulation in Natural Sciences is presently apprehended as a discipline on its own right, occupying a broad region somewhere between the experimental and theoretical methods, but also partially overlapping with and complementing them. - Whichever its proper definition may be, the computational approach serves as a novel and an extremely versatile tool with which one can equally well perform "pure" experimental modelling and conduct "computational theory". Computational studies that have earlier been made possible only through supercomputers have opened unexpected, as well as exciting, novel frontiers equally in mathematics (e.g., fractals

  9. IDENTIFICATION OF WIND LOAD APPLIED TO THREE-DIMENSIONAL STRUCTURES BY VIRTUE OF ITS SIMULATION IN THE WIND TUNNEL

    Directory of Open Access Journals (Sweden)

    Doroshenko Sergey Aleksandrovich

    2012-10-01

    Full Text Available The authors discuss wind loads applied to a set of two buildings. The wind load is simulated with the help of the wind tunnel. In the Russian Federation, special attention is driven to the aerodynamics of high-rise buildings and structures. According to the Russian norms, identification of aerodynamic coefficients for high-rise buildings, as well as the influence of adjacent buildings and structures, is performed on the basis of models of structures exposed to wind impacts simulated in the wind tunnel. This article deals with the results of the wind tunnel test of buildings. The simulation was carried out with the involvement of a model of two twenty-three storied buildings. The experiment was held in a wind tunnel of the closed type at in the Institute of Mechanics of Moscow State University. Data were compared at the zero speed before and after the experiment. LabView software was used to process the output data. Graphs and tables were developed in the Microsoft Excel package. GoogleSketchUp software was used as a visualization tool. The three-dimensional flow formed in the wind tunnel can't be adequately described by solving the two-dimensional problem. The aerodynamic experiment technique is used to analyze the results for eighteen angles of the wind attack.

  10. Biological responses to disturbance from simulated deep-sea polymetallic nodule mining

    Science.gov (United States)

    Kaiser, Stefanie; Sweetman, Andrew K.; Smith, Craig R.; Menot, Lenaick; Vink, Annemiek; Trueblood, Dwight; Greinert, Jens; Billett, David S. M.; Arbizu, Pedro Martinez; Radziejewska, Teresa; Singh, Ravail; Ingole, Baban; Stratmann, Tanja; Simon-Lledó, Erik; Durden, Jennifer M.; Clark, Malcolm R.

    2017-01-01

    Commercial-scale mining for polymetallic nodules could have a major impact on the deep-sea environment, but the effects of these mining activities on deep-sea ecosystems are very poorly known. The first commercial test mining for polymetallic nodules was carried out in 1970. Since then a number of small-scale commercial test mining or scientific disturbance studies have been carried out. Here we evaluate changes in faunal densities and diversity of benthic communities measured in response to these 11 simulated or test nodule mining disturbances using meta-analysis techniques. We find that impacts are often severe immediately after mining, with major negative changes in density and diversity of most groups occurring. However, in some cases, the mobile fauna and small-sized fauna experienced less negative impacts over the longer term. At seven sites in the Pacific, multiple surveys assessed recovery in fauna over periods of up to 26 years. Almost all studies show some recovery in faunal density and diversity for meiofauna and mobile megafauna, often within one year. However, very few faunal groups return to baseline or control conditions after two decades. The effects of polymetallic nodule mining are likely to be long term. Our analyses show considerable negative biological effects of seafloor nodule mining, even at the small scale of test mining experiments, although there is variation in sensitivity amongst organisms of different sizes and functional groups, which have important implications for ecosystem responses. Unfortunately, many past studies have limitations that reduce their effectiveness in determining responses. We provide recommendations to improve future mining impact test studies. Further research to assess the effects of test-mining activities will inform ways to improve mining practices and guide effective environmental management of mining activities. PMID:28178346

  11. Mathematical modeling of cancer cell invasion of tissue: biological insight from mathematical analysis and computational simulation.

    Science.gov (United States)

    Andasari, Vivi; Gerisch, Alf; Lolas, Georgios; South, Andrew P; Chaplain, Mark A J

    2011-07-01

    The ability of cancer cells to break out of tissue compartments and invade locally gives solid tumours a defining deadly characteristic. One of the first steps of invasion is the remodelling of the surrounding tissue or extracellular matrix (ECM) and a major part of this process is the over-expression of proteolytic enzymes, such as the urokinase-type plasminogen activator (uPA) and matrix metalloproteinases (MMPs), by the cancer cells to break down ECM proteins. Degradation of the matrix enables the cancer cells to migrate through the tissue and subsequently to spread to secondary sites in the body, a process known as metastasis. In this paper we undertake an analysis of a mathematical model of cancer cell invasion of tissue, or ECM, which focuses on the role of the urokinase plasminogen activation system. The model consists of a system of five reaction-diffusion-taxis partial differential equations describing the interactions between cancer cells, uPA, uPA inhibitors, plasmin and the host tissue. Cancer cells react chemotactically and haptotactically to the spatio-temporal effects of the uPA system. The results obtained from computational simulations carried out on the model equations produce dynamic heterogeneous spatio-temporal solutions and using linear stability analysis we show that this is caused by a taxis-driven instability of a spatially homogeneous steady-state. Finally we consider the biological implications of the model results, draw parallels with clinical samples and laboratory based models of cancer cell invasion using three-dimensional invasion assay, and go on to discuss future development of the model.

  12. Development of simulation interfaces for evaluation task with the use of physiological data and virtual reality applied to a vehicle simulator

    Science.gov (United States)

    Miranda, Mateus R.; Costa, Henrik; Oliveira, Luiz; Bernardes, Thiago; Aguiar, Carla; Miosso, Cristiano; Oliveira, Alessandro B. S.; Diniz, Alberto C. G. C.; Domingues, Diana Maria G.

    2015-03-01

    This paper aims at describing an experimental platform used to evaluate the performance of individuals at training immersive physiological games. The platform proposed is embedded in an immersive environment in a CAVE of Virtual Reality and consists on a base frame with actuators with three degrees of freedom, sensor array interface and physiological sensors. Physiological data of breathing, galvanic skin resistance (GSR) and pressure on the hand of the user and a subjective questionnaire were collected during the experiments. The theoretical background used in a project focused on Software Engineering, Biomedical Engineering in the field of Ergonomics and Creative Technologies in order to presents this case study, related of an evaluation of a vehicular simulator located inside the CAVE. The analysis of the simulator uses physiological data of the drivers obtained in a period of rest and after the experience, with and without movements at the simulator. Also images from the screen are captured through time at the embedded experience and data collected through physiological data visualization (average frequency and RMS graphics). They are empowered by the subjective questionnaire as strong lived experience provided by the technological apparatus. The performed immersion experience inside the CAVE allows to replicate behaviors from physical spaces inside data space enhanced by physiological properties. In this context, the biocybrid condition is expanded beyond art and entertainment, as it is applied to automotive engineering and biomedical engineering. In fact, the kinesthetic sensations amplified by synesthesia replicates the sensation of displacement in the interior of an automobile, as well as the sensations of vibration and vertical movements typical of a vehicle, different speeds, collisions, etc. The contribution of this work is the possibility to tracing a stress analysis protocol for drivers while operating a vehicle getting affective behaviors coming from

  13. Simulating the hydraulic stimulation of multiple fractures in an anisotropic stress field applying the discrete element method

    Science.gov (United States)

    Zeeb, Conny; Frühwirt, Thomas; Konietzky, Heinz

    2015-04-01

    Key to a successful exploitation of deep geothermal reservoirs in a petrothermal environment is the hydraulic stimulation of the host rock to increase permeability. The presented research investigates the fracture propagation and interaction during hydraulic stimulation of multiple fractures in a highly anisotropic stress field. The presented work was conducted within the framework of the OPTIRISS project, which is a cooperation of industry partners and universities in Thuringia and Saxony (Federal States of Germany) and was funded by the European Fond for Regional Development. One objective was the design optimization of the subsurface geothermal heat exchanger (SGHE) by means of numerical simulations. The presented simulations were conducted applying 3DEC (Itasca™), a software tool based on the discrete element method. The simulation results indicate that the main direction of fracture propagation is towards lower stresses and thus towards the biosphere. Therefore, barriers might be necessary to limit fracture propagation to the designated geological formation. Moreover, the hydraulic stimulation significantly alters the stresses in the vicinity of newly created fractures. Especially the change of the minimum stress component affects the hydraulic stimulation of subsequent fractures, which are deflected away from the previously stimulated fractures. This fracture deflection can render it impossible to connect all fractures with a second borehole for the later production. The results of continuative simulations indicate that a fracture deflection cannot be avoided completely. Therefore, the stage alignment was modified to minimize fracture deflection by varying (1) the pauses between stages, (2) the spacing's between adjacent stages, and (3) the angle between stimulation borehole and minimum stress component. An optimum SGHE design, which implies that all stimulated fractures are connected to the production borehole, can be achieved by aligning the stimulation

  14. A dynamic model of oceanic sulfur (DMOS) applied to the Sargasso Sea: Simulating the dimethylsulfide (DMS) summer paradox

    Science.gov (United States)

    Vallina, S. M.; Simó, R.; Anderson, T. R.; Gabric, A.; Cropp, R.; Pacheco, J. M.

    2008-03-01

    A new one-dimensional model of DMSP/DMS dynamics (DMOS) is developed and applied to the Sargasso Sea in order to explain what drives the observed dimethylsulfide (DMS) summer paradox: a summer DMS concentration maximum concurrent with a minimum in the biomass of phytoplankton, the producers of the DMS precursor dimethylsulfoniopropionate (DMSP). Several mechanisms have been postulated to explain this mismatch: a succession in phytoplankton species composition towards higher relative abundances of DMSP producers in summer; inhibition of bacterial DMS consumption by ultraviolet radiation (UVR); and direct DMS production by phytoplankton due to UVR-induced oxidative stress. None of these hypothetical mechanisms, except for the first one, has been tested with a dynamic model. We have coupled a new sulfur cycle model that incorporates the latest knowledge on DMSP/DMS dynamics to a preexisting nitrogen/carbon-based ecological model that explicitly simulates the microbial-loop. This allows the role of bacteria in DMS production and consumption to be represented and quantified. The main improvements of DMOS with respect to previous DMSP/DMS models are the explicit inclusion of: solar-radiation inhibition of bacterial sulfur uptakes; DMS exudation by phytoplankton caused by solar-radiation-induced stress; and uptake of dissolved DMSP by phytoplankton. We have conducted a series of modeling experiments where some of the DMOS sulfur paths are turned "off" or "on," and the results on chlorophyll-a, bacteria, DMS, and DMSP (particulate and dissolved) concentrations have been compared with climatological data of these same variables. The simulated rate of sulfur cycling processes are also compared with the scarce data available from previous works. All processes seem to play a role in driving DMS seasonality. Among them, however, solar-radiation-induced DMS exudation by phytoplankton stands out as the process without which the model is unable to produce realistic DMS simulations

  15. MOBILIZATION OF ENDOCRINE DISRUPTING CHEMICALS AND ESTROGENIC ACTIVITY IN SIMULATED RAINFALL RUNOFF FROM LAND-APPLIED BIOSOLIDS

    Science.gov (United States)

    Giudice, Ben D.; Young, Thomas M.

    2012-01-01

    Municipal biosolids are commonly applied to land as soil amendment or fertilizer as a form of beneficial reuse of what could otherwise be viewed as waste. Balanced against this benefit are potential risks to groundwater and surface water quality from constituents that may be mobilized during storm events. The objective of the present study was to characterize the mobilization of selected endocrine disrupting compounds (EDCs), heavy metals, and total estrogenic activity in rainfall runoff from land-applied biosolids. Rainfall simulations were conducted on soil plots amended with biosolids. Surface runoff and leachate was collected and analyzed for the EDCs bisphenol A, 17α-ethynylestradiol, triclocarban, triclosan, octylphenol, and nonylphenol; a suite of sixteen metals; and estrogenic activity via the ER-CALUX bioassay. Triclocarban (2.3–17.3 ng/L), triclosan (ER-CALUX results were mostly explained by background bisphenol A contamination and octylphenol in runoff, though unknown contributors and/or matrix effects were also found. PMID:21786314

  16. Mobilization of endocrine-disrupting chemicals and estrogenic activity in simulated rainfall runoff from land-applied biosolids.

    Science.gov (United States)

    Giudice, Ben D; Young, Thomas M

    2011-10-01

    Municipal biosolids are commonly applied to land as soil amendment or fertilizer as a form of beneficial reuse of what could otherwise be viewed as waste. Balanced against this benefit are potential risks to groundwater and surface water quality from constituents that may be mobilized during storm events. The objective of the present study was to characterize the mobilization of selected endocrine-disrupting compounds, heavy metals, and total estrogenic activity in rainfall runoff from land-applied biosolids. Rainfall simulations were conducted on soil plots amended with biosolids. Surface runoff and leachate was collected and analyzed for the endocrine-disrupting compounds bisphenol A, 17α-ethynylestradiol, triclocarban, triclosan, octylphenol, and nonylphenol; a suite of 16 metals; and estrogenic activity via the estrogen receptor-mediated chemical activated luciferase gene expression (ER-CALUX) bioassay. Triclocarban (2.3-17.3 ng/L), triclosan (ER-CALUX results were mostly explained by background bisphenol A contamination and octylphenol in runoff, although unknown contributors or matrix effects were also found.

  17. Acceleration of Peripheral Nerve Regeneration through Asymmetrically Porous Nerve Guide Conduit Applied with Biological/Physical Stimulation

    Science.gov (United States)

    Kim, Jin Rae; Oh, Se Heang; Kwon, Gu Birm; Namgung, Uk; Song, Kyu Sang; Jeon, Byeong Hwa

    2013-01-01

    Sufficient functional restoration of damaged peripheral nerves is a big clinical challenge. In this study, a nerve guide conduit (NGC) with selective permeability was prepared by rolling an asymmetrically porous polycaprolactone/Pluronic F127 membrane fabricated using a novel immersion precipitation method. Dual stimulation (nerve growth factor [NGF] as a biological stimulus and low-intensity pulse ultrasound [US] as a physical stimulus) was adapted to enhance nerve regeneration through an NGC. The animal study revealed that each stimulation (NGF or US) has a positive effect to promote the peripheral nerve regeneration through the NGC, however, the US-stimulated NGC group allowed more accelerated nerve regeneration compared with the NGF-stimulated group. The NGC group that received dual stimulation (NGF and US) showed more effective nerve regeneration behavior than the groups that received a single stimulation (NGF or US). The asymmetrically porous NGC with dual NGF and US stimulation may be a promising strategy for the clinical treatment of delayed and insufficient functional recovery of a peripheral nerve. PMID:23859225

  18. Acceleration of peripheral nerve regeneration through asymmetrically porous nerve guide conduit applied with biological/physical stimulation.

    Science.gov (United States)

    Kim, Jin Rae; Oh, Se Heang; Kwon, Gu Birm; Namgung, Uk; Song, Kyu Sang; Jeon, Byeong Hwa; Lee, Jin Ho

    2013-12-01

    Sufficient functional restoration of damaged peripheral nerves is a big clinical challenge. In this study, a nerve guide conduit (NGC) with selective permeability was prepared by rolling an asymmetrically porous polycaprolactone/Pluronic F127 membrane fabricated using a novel immersion precipitation method. Dual stimulation (nerve growth factor [NGF] as a biological stimulus and low-intensity pulse ultrasound [US] as a physical stimulus) was adapted to enhance nerve regeneration through an NGC. The animal study revealed that each stimulation (NGF or US) has a positive effect to promote the peripheral nerve regeneration through the NGC, however, the US-stimulated NGC group allowed more accelerated nerve regeneration compared with the NGF-stimulated group. The NGC group that received dual stimulation (NGF and US) showed more effective nerve regeneration behavior than the groups that received a single stimulation (NGF or US). The asymmetrically porous NGC with dual NGF and US stimulation may be a promising strategy for the clinical treatment of delayed and insufficient functional recovery of a peripheral nerve.

  19. Relative biological effectiveness of simulated solar particle event proton radiation to induce acute hematological change in the porcine model

    Science.gov (United States)

    Sanzari, Jenine K.; Wan, Steven X.; Diffenderfer, Eric S.; Cengel, Keith A.; Kennedy, Ann R.

    2014-01-01

    The present study was undertaken to determine relative biological effectiveness (RBE) values for simulated solar particle event (SPE) radiation on peripheral blood cells using Yucatan minipigs and electron-simulated SPE as the reference radiation. The results demonstrated a generally downward trend in the RBE values with increasing doses of simulated SPE radiation for leukocytes in the irradiated animals. The fitted RBE values for white blood cells (WBCs), lymphocytes, neutrophils, monocytes and eosinophils were above 1.0 in all three radiation dose groups at all time-points evaluated, and the lower limits of the 95% confidence intervals were > 1.0 in the majority of the dose groups at different time-points, which together suggest that proton-simulated SPE radiation is more effective than electron-simulated SPE radiation in reducing the number of peripheral WBCs, lymphocytes, neutrophils, monocytes and eosinophils, especially at the low end of the 5–10 Gy dose range evaluated. Other than the RBE values, the responses of leukocytes to electron-simulated SPE radiation and proton-simulated SPE radiation exposure are highly similar with respect to the time-course, the most radiosensitive cell type (the lymphocytes), and the shape of the dose–response curves, which is generally log-linear. These findings provide additional evidence that electron-simulated SPE radiation is an appropriate reference radiation for determination of RBE values for the simulated SPE radiations, and the RBE estimations using electron-simulated SPE radiation as the reference radiation are not complicated by other characteristics of the leukocyte response to radiation exposure. PMID:24027300

  20. Relative biological effectiveness of simulated solar particle event proton radiation to induce acute hematological change in the porcine model.

    Science.gov (United States)

    Sanzari, Jenine K; Wan, Steven X; Diffenderfer, Eric S; Cengel, Keith A; Kennedy, Ann R

    2014-03-01

    The present study was undertaken to determine relative biological effectiveness (RBE) values for simulated solar particle event (SPE) radiation on peripheral blood cells using Yucatan minipigs and electron-simulated SPE as the reference radiation. The results demonstrated a generally downward trend in the RBE values with increasing doses of simulated SPE radiation for leukocytes in the irradiated animals. The fitted RBE values for white blood cells (WBCs), lymphocytes, neutrophils, monocytes and eosinophils were above 1.0 in all three radiation dose groups at all time-points evaluated, and the lower limits of the 95% confidence intervals were > 1.0 in the majority of the dose groups at different time-points, which together suggest that proton-simulated SPE radiation is more effective than electron-simulated SPE radiation in reducing the number of peripheral WBCs, lymphocytes, neutrophils, monocytes and eosinophils, especially at the low end of the 5-10 Gy dose range evaluated. Other than the RBE values, the responses of leukocytes to electron-simulated SPE radiation and proton-simulated SPE radiation exposure are highly similar with respect to the time-course, the most radiosensitive cell type (the lymphocytes), and the shape of the dose-response curves, which is generally log-linear. These findings provide additional evidence that electron-simulated SPE radiation is an appropriate reference radiation for determination of RBE values for the simulated SPE radiations, and the RBE estimations using electron-simulated SPE radiation as the reference radiation are not complicated by other characteristics of the leukocyte response to radiation exposure.

  1. Simulation

    CERN Document Server

    Ross, Sheldon

    2006-01-01

    Ross's Simulation, Fourth Edition introduces aspiring and practicing actuaries, engineers, computer scientists and others to the practical aspects of constructing computerized simulation studies to analyze and interpret real phenomena. Readers learn to apply results of these analyses to problems in a wide variety of fields to obtain effective, accurate solutions and make predictions about future outcomes. This text explains how a computer can be used to generate random numbers, and how to use these random numbers to generate the behavior of a stochastic model over time. It presents the statist

  2. Accurate treatments of electrostatics for computer simulations of biological systems: A brief survey of developments and existing problems

    Science.gov (United States)

    Yi, Sha-Sha; Pan, Cong; Hu, Zhong-Han

    2015-12-01

    Modern computer simulations of biological systems often involve an explicit treatment of the complex interactions among a large number of molecules. While it is straightforward to compute the short-ranged Van der Waals interaction in classical molecular dynamics simulations, it has been a long-lasting issue to develop accurate methods for the longranged Coulomb interaction. In this short review, we discuss three types of methodologies for the accurate treatment of electrostatics in simulations of explicit molecules: truncation-type methods, Ewald-type methods, and mean-field-type methods. Throughout the discussion, we brief the formulations and developments of these methods, emphasize the intrinsic connections among the three types of methods, and focus on the existing problems which are often associated with the boundary conditions of electrostatics. This brief survey is summarized with a short perspective on future trends along the method developments and applications in the field of biological simulations. Project supported by the National Natural Science Foundation of China (Grant Nos. 91127015 and 21522304) and the Open Project from the State Key Laboratory of Theoretical Physics, and the Innovation Project from the State Key Laboratory of Supramolecular Structure and Materials.

  3. Characterization and quantification of the role of coherence in ultrafast quantum biological experiments using quantum master equations, atomistic simulations, and quantum process tomography

    CERN Document Server

    Rebentrost, Patrick; Yuen-Zhou, Joel; Aspuru-Guzik, Alán

    2010-01-01

    Long-lived electronic coherences in various photosynthetic complexes at cryogenic and room temperature have generated vigorous efforts both in theory and experiment to understand their origins and explore their potential role to biological function. The ultrafast signals resulting from the experiments that show evidence for these coherences result from many contributions to the molecular polarization. Quantum process tomography (QPT) was conceived in the context of quantum information processing to characterize and understand general quantum evolution of controllable quantum systems, for example while carrying out quantum computational tasks. We introduce our QPT method for ultrafast experiments, and as an illustrative example, apply it to a simulation of a two-chromophore subsystem of the Fenna-Matthews-Olson photosynthetic complex, which was recently shown to have long-lived quantum coherences. Our Fenna-Matthews-Olson model is constructed using an atomistic approach to extract relevant parameters for the s...

  4. Biomining of regolith simulants for biological in situ resource utilization Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The goal of this proposed research is to advance the development of biological in situ resource utilization for NASA's space exploration programs. We plan to build a...

  5. Biospark: scalable analysis of large numerical datasets from biological simulations and experiments using Hadoop and Spark.

    Science.gov (United States)

    Klein, Max; Sharma, Rati; Bohrer, Chris H; Avelis, Cameron M; Roberts, Elijah

    2017-01-15

    Data-parallel programming techniques can dramatically decrease the time needed to analyze large datasets. While these methods have provided significant improvements for sequencing-based analyses, other areas of biological informatics have not yet adopted them. Here, we introduce Biospark, a new framework for performing data-parallel analysis on large numerical datasets. Biospark builds upon the open source Hadoop and Spark projects, bringing domain-specific features for biology.

  6. Backward Multiscattering and Transport of Photons in Biological Tissue: Experiment and Simulation

    OpenAIRE

    Hamed Mohamed Abubaker; Pavel Tomanek

    2012-01-01

    Optical polarimetry is a mighty tool for study of transparent and translucent inorganic and organic materials. Growing interest in better health and also the quality of the food pointed the investigation of physical properties of biological turbid tissues. Due to the fact that biological tissue is complex random material showing inhomogeneity, anisotropy and nonlinearity in the structure, its rigorous characterization is almost impossible. This complexity also involves an important amount of ...

  7. Distinct rhythmic locomotor patterns can be generated by a simple adaptive neural circuit: biology, simulation, and VLSI implementation.

    Science.gov (United States)

    Ryckebusch, S; Wehr, M; Laurent, G

    1994-12-01

    Rhythmic motor patterns can be induced in leg motor neurons of isolated locust thoracic ganglia by bath application of pilocarpine. We observed that the relative phases of levators and depressors differed in the three thoracic ganglia. Assuming that the central pattern generating circuits underlying these three segmental rhythms are probably very similar, we developed a simple model circuit that can produce any one of the three activity patterns and characteristic phase relationships by modifying a single synaptic weight. We show results of a computer simulation of this circuit using the neuronal simulator NeuraLOG/Spike. We built and tested an analog VLSI circuit implementation of this model circuit that exhibits the same range of "behaviors" as the computer simulation. This multidisciplinary strategy will be useful to explore the dynamics of central pattern generating networks coupled to physical actuators, and ultimately should allow the design of biologically realistic walking robots.

  8. Comparative Study on Interaction of Form and Motion Processing Streams by Applying Two Different Classifiers in Mechanism for Recognition of Biological Movement

    Directory of Open Access Journals (Sweden)

    Bardia Yousefi

    2014-01-01

    Full Text Available Research on psychophysics, neurophysiology, and functional imaging shows particular representation of biological movements which contains two pathways. The visual perception of biological movements formed through the visual system called dorsal and ventral processing streams. Ventral processing stream is associated with the form information extraction; on the other hand, dorsal processing stream provides motion information. Active basic model (ABM as hierarchical representation of the human object had revealed novelty in form pathway due to applying Gabor based supervised object recognition method. It creates more biological plausibility along with similarity with original model. Fuzzy inference system is used for motion pattern information in motion pathway creating more robustness in recognition process. Besides, interaction of these paths is intriguing and many studies in various fields considered it. Here, the interaction of the pathways to get more appropriated results has been investigated. Extreme learning machine (ELM has been implied for classification unit of this model, due to having the main properties of artificial neural networks, but crosses from the difficulty of training time substantially diminished in it. Here, there will be a comparison between two different configurations, interactions using synergetic neural network and ELM, in terms of accuracy and compatibility.

  9. IT - OSRA: applying ensemble simulations to estimate the oil spill hazard associated to operational and accidental oil spills

    Science.gov (United States)

    Sepp Neves, Antonio Augusto; Pinardi, Nadia; martins, Flavio

    2016-04-01

    Every year, 270,000 tonnes of oil are estimated to be spilled in the ocean by vessel operations (e.g. tank washing, leakage of lubricants) and the so called operational spills are typically associated with small volumes and high occurrence rate. Vessel-related accidental spills (e.g. collisions, explosions) seldom occur and usually involve high volumes of oil, accounting for about 100,000 tonnes/year. The occurrence of accidental spills and their impacts have been well documented in the available literature. On the other hand, occurrence rates of operational spills and the effects they have on the marine and coastal environments remain very uncertain due to insufficient sampling effort and methodological limitations. Trying to foresee when and where an oil spill will occur in a certain area, its characteristics and impacts is, at present, impossible. Oil spill risk assessments (OSRAs) have been employed in several parts of the globe in order to deal with such uncertainties and protect the marine environment. In the present work, we computed the oil spill risk applying ensemble oil spill simulations following an ISO-31000 compliant OSRA methodology (Sepp Neves et al. , 2015). The ensemble experiment was carried out for the Algarve coast (southern Portugal) generating a unique data set of 51,200 numerical oil spill simulations covering the main sources of uncertainties (i.e. where and when the spill will happen and oil spill model configuration). From the generated data set, the risk due to accidental and operational spills was mapped for the Algarve municipalities based on the frequency and magnitude (i.e. concentrations) of beaching events and the main sources of risk were identified. The socioeconomic and environmental dimensions of the risk were treated separately. Seasonal changes in the risk index proposed due to the variability of meteo-oceanographic variables (i.e. currents and waves) were also quantified.

  10. A comparative study for different shielding material composition and beam geometry applied to PET facilities: simulated transmission curves

    Energy Technology Data Exchange (ETDEWEB)

    Hoff, Gabriela [Pontificia Univ. Catolica do Rio Grande do Sul (PUCRS), Porto Alegre, RS (Brazil). Grupo de Experimentacao e Simulacao Computacional em Fisica Medica; Costa, Paulo Roberto, E-mail: pcosta@if.usp.br [Universidade de Sao Paulo (IF/USP), SP (Brazil). Dept. de Fisica Nuclear. Lab. de Dosimetria das Radiacoes e Fisica Medica

    2013-03-15

    The aim of this work is to simulate transmission data for different beam geometry and material composition in order to evaluate the effect of these parameters on transmission curves. The simulations are focused on outgoing spectra for shielding barriers used in PET facilities. The behavior of the transmission was evaluated as a function of the shielding material composition and thickness using Geant4 Monte Carlo code, version 9.2 p 03.The application was benchmarked for barited mortar and compared to The American Association of Physicists in Medicine (AAPM) data for lead. Their influence on the transmission curves as well the study of the influence of the shielding material composition and beam geometry on the outgoing spectra were performed. Characteristics of transmitted spectra, such as shape, average energy and Half-Value Layer (HVL), were also evaluated. The Geant4 toolkit benchmark for the energy resulting from the positron annihilation phenomena and its application in transmission curves description shown good agreement between data published by American Association on Physicists in Medicine task group 108 and experimental data published by Brazil. The transmission properties for different material compositions were also studied and have shown low dependency with the considered thicknesses. The broad and narrow beams configuration presented significant differences on the result. The fitting parameter for determining the transmission curves equations, according to Archer model is presented for different material. As conclusion were defined that beam geometry has significant influence and the composition has low influence on transmission curves for shielding design for the range of energy applied to PET. (author)

  11. Numerical simulation of the throwing power of cathodic prevention applied to marine reinforced concrete piles by means of sacrificial anodes

    Energy Technology Data Exchange (ETDEWEB)

    Bertolini, Luca; Redaelli, Elena [Politecnico di Milano, Dipartimento di Chimica, Materiali e Ingegneria Chimica ' G. Natta' , Via Mancinelli, 7, 20131 Milan (Italy)

    2004-07-01

    The paper deals with the determination of current and potential distribution in reinforced concrete elements partially submerged in seawater aimed at predicting the throwing power of cathodic prevention applied by means of sacrificial anodes. Previous laboratory studies carried out on reinforced concrete columns 15 cm x 15 cm x 120 cm showed that the use of sacrificial anodes placed in the solution at the bottom of the column could provide protection of corroding steel bars in the emerged part of the pile up to about 60 cm from the water level. However, if sacrificial anodes were applied when the concrete was chloride free and steel bars were still passive, even the highest bar, placed at 1 m from the level of water, was protected. This is due to the higher polarizability of passive steel, that makes the throwing power of cathodic prevention higher compared to that of cathodic protection. In order to extend the results obtained on small-scale specimens to elements of higher dimensions, numerical simulations of current and potential distribution were carried out. Two-dimensional models were set up of reinforced concrete piles containing steel bars at different heights protected with sacrificial anodes placed in the water in which they were partially submerged. Boundary conditions describing the electrochemical behaviour of bars were obtained from polarisation curves measured on the previously mentioned columns. Values of concrete conductivity at different heights from the water level were also obtained from those tests. Several cases were considered, representative of conditions differing in electrochemical behaviour of steel bars, dimensions of element, position of sacrificial anodes. The paper discusses the results obtained from the models and compares them in terms of the throwing power that can be reached by using sacrificial anodes immersed in the seawater to protect reinforcing steel bars in the emerged part of a pile. (authors)

  12. On the structural affinity of macromolecules with different biological properties: Molecular dynamics simulations of a series of TEM-1 mutants

    Energy Technology Data Exchange (ETDEWEB)

    Giampaolo, Alessia Di [Dipartimento di Scienze Fisiche e Chimiche, Universita’ degli Studi di l’Aquila, Via Vetoio snc, 67100 Coppito (AQ) (Italy); Mazza, Fernando [Department of Health Sciences, Univ. of L’Aquila, 67010 L’Aquila (Italy); Daidone, Isabella [Dipartimento di Scienze Fisiche e Chimiche, Universita’ degli Studi di l’Aquila, Via Vetoio snc, 67100 Coppito (AQ) (Italy); Amicosante, Gianfranco; Perilli, Mariagrazia [Dipartimento di Scienze Cliniche Applicate e Biotecnologiche, Università degli Studi di l’Aquila, Via Vetoio snc, 67100 Coppito (AQ) (Italy); Aschi, Massimiliano, E-mail: massimiliano.aschi@univaq.it [Dipartimento di Scienze Fisiche e Chimiche, Universita’ degli Studi di l’Aquila, Via Vetoio snc, 67100 Coppito (AQ) (Italy)

    2013-07-12

    Highlights: •We have performed molecular dynamics simulations of TEM-1 mutants. •Mutations effects on the mechanical properties are considered. •Mutants do not significantly alter the average enzymes structure. •Mutants produce sharp alterations in enzyme conformational repertoire. •Mutants also produce changes in the active site volume. -- Abstract: Molecular Dynamics simulations have been carried out in order to provide a molecular rationalization of the biological and thermodynamic differences observed for a class of TEM β-lactamases. In particular we have considered the TEM-1(wt), the single point mutants TEM-40 and TEM-19 representative of IRT and ESBL classes respectively, and TEM-1 mutant M182T, TEM-32 and TEM-20 which differ from the first three for the additional of M182T mutation. Results indicate that most of the thermodynamic, and probably biological behaviour of these systems arise from subtle effects which, starting from the alterations of the local interactions, produce drastic modifications of the conformational space spanned by the enzymes. The present study suggests that systems showing essentially the same secondary and tertiary structure may differentiate their chemical–biological activity essentially (and probably exclusively) on the basis of the thermal fluctuations occurring in their physiological environment.

  13. UQ and V&V techniques applied to experiments and simulations of heated pipes pressurized to failure

    Energy Technology Data Exchange (ETDEWEB)

    Romero, Vicente Jose [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Dempsey, J. Franklin [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Antoun, Bonnie R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2014-05-01

    This report demonstrates versatile and practical model validation and uncertainty quantification techniques applied to the accuracy assessment of a computational model of heated steel pipes pressurized to failure. The Real Space validation methodology segregates aleatory and epistemic uncertainties to form straightforward model validation metrics especially suited for assessing models to be used in the analysis of performance and safety margins. The methodology handles difficulties associated with representing and propagating interval and/or probabilistic uncertainties from multiple correlated and uncorrelated sources in the experiments and simulations including: material variability characterized by non-parametric random functions (discrete temperature dependent stress-strain curves); very limited (sparse) experimental data at the coupon testing level for material characterization and at the pipe-test validation level; boundary condition reconstruction uncertainties from spatially sparse sensor data; normalization of pipe experimental responses for measured input-condition differences among tests and for random and systematic uncertainties in measurement/processing/inference of experimental inputs and outputs; numerical solution uncertainty from model discretization and solver effects.

  14. Simulation model of scattering properties and extinction of laser light applied to urban aerosols over the city of Cali, Colombia

    Science.gov (United States)

    Rodríguez, Edith; Montilla, Elena; Jaramillo, Mauricio; Solarte, Efraín; Bastidas, Alvaro

    2005-10-01

    Aerosols are among the most spatially variable components of the atmosphere, and thus their study requires their monitoring over a broad geographic range. The backscattering of light from suspended solid and liquid particles in the atmosphere obeys Mie scattering theory. Light attenuation in the spectral region from 300 to 4000 nm due to Mie scattering exceeds that due to molecular (Rayleigh) scattering and ozone absorption combined. This occurs despite the fact that aerosol particle concentrations in the atmosphere are many orders of magnitude smaller than molecular concentrations. Starting from the characteristics of urban aerosols measured over the city of Cali (Colombia), 3° 30' N, 76° 30' W, with a PM10 particle selector, along with information on meteorological conditions typical of the region, we present the results of a study of light scattering properties generated using a model applied Mie scattering theory to size parameter between 0 and 50, with an increment of 0.01, and Matlab computer code, to simulate and predict measurements with a Lidar system operating at 532 nm.

  15. IT-OSRA: applying ensemble simulations to estimate the oil spill risk associated to operational and accidental oil spills

    Science.gov (United States)

    Sepp Neves, Antonio Augusto; Pinardi, Nadia; Martins, Flavio

    2016-08-01

    Oil Spill Risk Assessments (OSRAs) are widely employed to support decision making regarding oil spill risks. This article adapts the ISO-compliant OSRA framework developed by Sepp Neves et al. (J Environ Manag 159:158-168, 2015) to estimate risks in a complex scenario where uncertainties related to the meteo-oceanographic conditions, where and how a spill could happen exist and the risk computation methodology is not yet well established (ensemble oil spill modeling). The improved method was applied to the Algarve coast, Portugal. Over 50,000 simulations were performed in 2 ensemble experiments to estimate the risks due to operational and accidental spill scenarios associated with maritime traffic. The level of risk was found to be important for both types of scenarios, with significant seasonal variations due to the the currents and waves variability. Higher frequency variability in the meteo-oceanographic variables were also found to contribute to the level of risk. The ensemble results show that the distribution of oil concentrations found on the coast is not Gaussian, opening up new fields of research on how to deal with oil spill risks and related uncertainties.

  16. Developing an International Combined Applied Surgical Science and Wet Lab Simulation Course as an Undergraduate Teaching Model

    Directory of Open Access Journals (Sweden)

    Michail Sideris

    2015-01-01

    Full Text Available Background. Essential Skills in the Management of Surgical Cases (ESMSC is an international, animal model-based course. It combines interactive lectures with basic ex vivo stations and more advanced wet lab modules, that is, in vivo dissections and Heart Transplant Surgery on a swine model. Materials and Methods. Forty-nine medical students (male, N=27, female N=22, and mean age = 23.7 years from King’s College London (KCL and Greek Medical Schools attended the course. Participants were assessed with Direct Observation of Procedural Skills (DOPS, as well as Multiple Choice Questions (MCQs. Paired t-test associations were used to evaluate whether there was statistically significant improvement in their performance. Aim. To evaluate the effectiveness of a combined applied surgical science and wet lab simulation course as a teaching model for surgical skills at the undergraduate level. Results. The mean MCQ score was improved by 2.33/32 (P<0.005. Surgical skills competences, as defined by DOPS scores, were improved in a statically significant manner (P<0.005 for all paired t-test correlations. Conclusions. ESMSC seems to be an effective teaching model, which improves the understanding of the surgical approach and the basic surgical skills. In vivo models could be used potentially as a step further in the Undergraduate Surgical Education.

  17. UQ and V&V techniques applied to experiments and simulations of heated pipes pressurized to failure.

    Energy Technology Data Exchange (ETDEWEB)

    Romero, Vicente Jose; Dempsey, J. Franklin; Antoun, Bonnie R.

    2014-05-01

    This report demonstrates versatile and practical model validation and uncertainty quantification techniques applied to the accuracy assessment of a computational model of heated steel pipes pressurized to failure. The Real Space validation methodology segregates aleatory and epistemic uncertainties to form straightforward model validation metrics especially suited for assessing models to be used in the analysis of performance and safety margins. The methodology handles difficulties associated with representing and propagating interval and/or probabilistic uncertainties from multiple correlated and uncorrelated sources in the experiments and simulations including: material variability characterized by non-parametric random functions (discrete temperature dependent stress-strain curves); very limited (sparse) experimental data at the coupon testing level for material characterization and at the pipe-test validation level; boundary condition reconstruction uncertainties from spatially sparse sensor data; normalization of pipe experimental responses for measured input-condition differences among tests and for random and systematic uncertainties in measurement/processing/inference of experimental inputs and outputs; numerical solution uncertainty from model discretization and solver effects.

  18. Modeling and simulation of the chemically induced swelling behavior of anionic polyelectrolyte gels by applying the theory of porous media

    Science.gov (United States)

    Leichsenring, Peter; Wallmersperger, Thomas

    2017-03-01

    Ionic hydrogels belong to the class of polyelectrolyte gels, also known as ionic gels. Their ability to swell or shrink under different environmental conditions such as change of pH, ion concentration or temperature make them promising materials for new sensoric or actuatoric devices. Numerical simulations play a crucial role for further developing hydrogel based devices. In the present contribution, a thermodynamically consistent continuum model based on the theory of porous media is derived. The governing field equations are solved on a one-dimensional domain by applying the finite element method. For the time discretization an Euler backward algorithm is implemented. The hydrogel swelling behavior is triggered by a chemical stimulus and is analyzed in space and time. Two mechanical configurations are considered: the hydrogel free swelling behavior and a mechanically clamped configuration, where the hydrogel swelling is hindered, are evaluated in detail. The presented results lead to a precise understanding of the chemo-electro-mechanical behavior and the driving pressure contributions.

  19. Response of biological uv dosimeters to the simulated extraterrestrial uv radiation

    Science.gov (United States)

    Bérces, A.; Rontó, G.; Kerékgyártó, T.; Kovács, G.; Lammer, H.

    In the Laboratory polycrystalline uracil thin layer and bacteriophage T7 detectors have been developed for UV dosimetry on the EarthSs surface. Exponential response of the uracil polycrystal has been detected both by absorption spectroscopy and measurements of the refractive index under the influence of terrestrial solar radiation or using UV-C sources. In UV biological dosimetry the UV dose scale is additive starting at a value of zero according to the definition of CIE (Technical Report TC-6-18). The biological dose can be defined by a measured end-effect. In our dosimeters (phage T7 and uracil dosimeter) exposed to natural (terrestrial) UV radiation the proportion of pyrimidin photoproducts among the total photoproducts is smaller than 0.1 and the linear correlation between the biological and physical dose is higher than 0.9. According to the experimental data this linear relationship is often not valid. We observed that UV radiation did not only induce dimerisation but shorter wavelengths caused monomerisation of pyrimidin dimers. Performing the irradiation in oxygen free environment and using a Deuterium lamp as UV source, we could increase monomerisation against dimerisation thus the DNA-based dosimetrySs additivity rule is not fulfilled in these conditions. In this study we will demonstrate those non-linear experiments which constitute the basis of our biological experiments on the International Space Station.

  20. StochPy: A Comprehensive, User-Friendly Tool for Simulating Stochastic Biological Processes

    NARCIS (Netherlands)

    Maarleveld, T.R.; Olivier, B.G.; Bruggeman, F.J.

    2013-01-01

    Single-cell and single-molecule measurements indicate the importance of stochastic phenomena in cell biology. Stochasticity creates spontaneous differences in the copy numbers of key macromolecules and the timing of reaction events between genetically-identical cells. Mathematical models are indispe

  1. Influence of Hydrophilic Polymers on the β Factor in Weibull Equation Applied to the Release Kinetics of a Biologically Active Complex of Aesculus hippocastanum

    Directory of Open Access Journals (Sweden)

    Justyna Kobryń

    2017-01-01

    Full Text Available Triterpenoid saponins complex of biological origin, escin, exhibits significant clinical activity in chronic venous insufficiency, skin inflammation, epidermal abrasions, allergic dermatitis, and acute impact injuries, especially in topical application. The aim of the study is the comparison of various hydrogel formulations, as carriers for a horse chestnut seed extract (EH. Methylcellulose (MC, two polyacrylic acid derivatives (PA1 and PA2, and polyacrylate crosspolymer 11 (PC-11 were employed. The release rates of EH were examined and a comparison with the Weibull model equation was performed. Application of MC as the carrier in the hydrogel preparation resulted in fast release rate of EH, whereas in the case of the hydrogel composed with PC-11 the release was rather prolonged. Applied Weibull function adhered best to the experimental data. Due to the evaluated shape parameter β, in the Weibull equation, the systems under study released the active compound according to the Fickian diffusion.

  2. Monte Carlo simulation of several biologically relevant molecules and zwitterions in water

    Science.gov (United States)

    Patuwo, Michael Y.; Bettens, Ryan P. A.

    2012-02-01

    In this work, we study the hydration free energies of butane, zwitterionic alanine, valine, serine, threonine, and asparagine, and two neuraminidase inhibitors by means of Monte Carlo (MC) simulation. The solute molecule, represented in the form of distributed multipoles and modified 6-12 potential, was varied from a non-interacting 'ghost' molecule to its full potential functions in TIP4P water. Intermediate systems with soft-core solute-solvent interaction potentials are simulated separately and then subjected to Bennett's Acceptance ratio (BAR) for the free energy calculation. Hydration shells surrounding the solute particles were used to assess the quality of potential functions.

  3. An adaptive multi-level simulation algorithm for stochastic biological systems.

    Science.gov (United States)

    Lester, C; Yates, C A; Giles, M B; Baker, R E

    2015-01-14

    Discrete-state, continuous-time Markov models are widely used in the modeling of biochemical reaction networks. Their complexity often precludes analytic solution, and we rely on stochastic simulation algorithms (SSA) to estimate system statistics. The Gillespie algorithm is exact, but computationally costly as it simulates every single reaction. As such, approximate stochastic simulation algorithms such as the tau-leap algorithm are often used. Potentially computationally more efficient, the system statistics generated suffer from significant bias unless tau is relatively small, in which case the computational time can be comparable to that of the Gillespie algorithm. The multi-level method [Anderson and Higham, "Multi-level Monte Carlo for continuous time Markov chains, with applications in biochemical kinetics," SIAM Multiscale Model. Simul. 10(1), 146-179 (2012)] tackles this problem. A base estimator is computed using many (cheap) sample paths at low accuracy. The bias inherent in this estimator is then reduced using a number of corrections. Each correction term is estimated using a collection of paired sample paths where one path of each pair is generated at a higher accuracy compared to the other (and so more expensive). By sharing random variables between these paired paths, the variance of each correction estimator can be reduced. This renders the multi-level method very efficient as only a relatively small number of paired paths are required to calculate each correction term. In the original multi-level method, each sample path is simulated using the tau-leap algorithm with a fixed value of τ. This approach can result in poor performance when the reaction activity of a system changes substantially over the timescale of interest. By introducing a novel adaptive time-stepping approach where τ is chosen according to the stochastic behaviour of each sample path, we extend the applicability of the multi-level method to such cases. We demonstrate the

  4. Quantum Simulation of Phylogenetic Trees

    CERN Document Server

    Ellinas, Demosthenes

    2011-01-01

    Quantum simulations constructing probability tensors of biological multi-taxa in phylogenetic trees are proposed, in terms of positive trace preserving maps, describing evolving systems of quantum walks with multiple walkers. Basic phylogenetic models applying on trees of various topologies are simulated following appropriate decoherent quantum circuits. Quantum simulations of statistical inference for aligned sequences of biological characters are provided in terms of a quantum pruning map operating on likelihood operator observables, utilizing state-observable duality and measurement theory.

  5. Cation Selectivity in Biological Cation Channels Using Experimental Structural Information and Statistical Mechanical Simulation.

    Science.gov (United States)

    Finnerty, Justin John; Peyser, Alexander; Carloni, Paolo

    2015-01-01

    Cation selective channels constitute the gate for ion currents through the cell membrane. Here we present an improved statistical mechanical model based on atomistic structural information, cation hydration state and without tuned parameters that reproduces the selectivity of biological Na+ and Ca2+ ion channels. The importance of the inclusion of step-wise cation hydration in these results confirms the essential role partial dehydration plays in the bacterial Na+ channels. The model, proven reliable against experimental data, could be straightforwardly used for designing Na+ and Ca2+ selective nanopores.

  6. Unit testing, model validation, and biological simulation [version 1; referees: 2 approved, 1 approved with reservations

    Directory of Open Access Journals (Sweden)

    Gopal P. Sarma

    2016-08-01

    Full Text Available The growth of the software industry has gone hand in hand with the development of tools and cultural practices for ensuring the reliability of complex pieces of software. These tools and practices are now acknowledged to be essential to the management of modern software. As computational models and methods have become increasingly common in the biological sciences, it is important to examine how these practices can accelerate biological software development and improve research quality. In this article, we give a focused case study of our experience with the practices of unit testing and test-driven development in OpenWorm, an open-science project aimed at modeling Caenorhabditis elegans. We identify and discuss the challenges of incorporating test-driven development into a heterogeneous, data-driven project, as well as the role of model validation tests, a category of tests unique to software which expresses scientific models.

  7. Force fields for simulating the interaction of surfaces with biological molecules

    Science.gov (United States)

    Martin, Lewis; Bilek, Marcela M.; Weiss, Anthony S.; Kuyucak, Serdar

    2016-01-01

    The interaction of biomolecules with solid interfaces is of fundamental importance to several emerging biotechnologies such as medical implants, anti-fouling coatings and novel diagnostic devices. Many of these technologies rely on the binding of peptides to a solid surface, but a full understanding of the mechanism of binding, as well as the effect on the conformation of adsorbed peptides, is beyond the resolution of current experimental techniques. Nanoscale simulations using molecular mechanics offer potential insights into these processes. However, most models at this scale have been developed for aqueous peptide and protein simulation, and there are no proven models for describing biointerfaces. In this review, we detail the current research towards developing a non-polarizable molecular model for peptide–surface interactions, with a particular focus on fitting the model parameters as well as validation by choice of appropriate experimental data. PMID:26855748

  8. Modeling and simulation of equivalent circuits in description of biological systems - a fractional calculus approach

    Directory of Open Access Journals (Sweden)

    José Francisco Gómez Aguilar

    2012-07-01

    Full Text Available Using the fractional calculus approach, we present the Laplace analysis of an equivalent electrical circuit for a multilayered system, which includes distributed elements of the Cole model type. The Bode graphs are obtained from the numerical simulation of the corresponding transfer functions using arbitrary electrical parameters in order to illustrate the methodology. A numerical Laplace transform is used with respect to the simulation of the fractional differential equations. From the results shown in the analysis, we obtain the formula for the equivalent electrical circuit of a simple spectrum, such as that generated by a real sample of blood tissue, and the corresponding Nyquist diagrams. In addition to maintaining consistency in adjusted electrical parameters, the advantage of using fractional differential equations in the study of the impedance spectra is made clear in the analysis used to determine a compact formula for the equivalent electrical circuit, which includes the Cole model and a simple RC model as special cases.

  9. Computer Simulation of Biological Ageing-A Bird's-Eye View

    Science.gov (United States)

    Dasgupta, Subinay

    For living organisms, the process of ageing consists of acquiring good and bad genetic mutations, which increase and decrease (respectively) the survival probability. When a child is born, the hereditary mutations of the parents are transmitted to the offspring. Such stochastic processes seem to be amenable to computer simulation. Over the last 10 years, simulation studies of this sort have been done in different parts of the globe to explain ageing. The objective of these studies have been to attempt an explanation of demographic data and of natural phenomena like preference of nature to the process of sexual reproduction (in comparison to the process of asexual reproduction). Here we shall attempt to discuss briefly the principles and the results of these works, with an emphasis on what is called Penna bit-string model.

  10. The Effects of Chemical/Biological Protective Patient Wraps on Simulated Physiological Responses of Soldiers

    Science.gov (United States)

    2010-07-22

    8217 parasympathetic nervous system reduces their sweat rates, am! rapidly increases a patient’s T< (Cmbrcttc ct aI., 1998; Stephenson ct aL, 1988...the filtered ambient air ventilation system attached to the foot of the PPW. Thiny model simulations were conducted based on the combinations of...located in a shaded desert or a sunny temperate condition, the fan-powered PPW ventilation system was very effective in helping individuals thermo

  11. The Persistence of FISH Translocations for Retrospective Biological Dosimetry after Simulated Whole or Partial Body Irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Guerrero-Carbajal, Y.C.; Moquet, J.E.; Edwards, A.A.; Lloyd, D.C

    1998-07-01

    High acute whole and partial body accidental irradiations were simulated by in vitro irradiation of blood. Lymphocyte culture times were extended from 48 h to 72 h and 96 h to simulate the elimination of chromosomal damage that occurs over time in vivo following successive cell divisions. The yields of stable translocations involving chromosomes 2, 3 and 5 were scored by the FISH method together with full genome dicentrics. With simulated whole body irradiation the yieldsof dicentrics fell sharply with successive cell divisions whilst translocation frequencies remained constant. With partial irradiation both dicentric and translocation yields reduced. This may be explained by the hypothesis that with homogeneous irradiation at high doses the distributions of stable and unstable aberrations are Poisson and independent whilst with partial exposure their distributions are linked because both types are confined to the irradiated fraction of cells. This has highlighted a possible limitation in the use of FISH for retrospective dosimetry and may explain instances where the method has been reported to underestimate dose when compared with contemporary dosimetry. (author)

  12. Calculated organ doses using Monte Carlo simulations in a reference male phantom undergoing HDR brachytherapy applied to localized prostate carcinoma

    Energy Technology Data Exchange (ETDEWEB)

    Candela-Juan, Cristian [Radioprotection Department, La Fe University and Polytechnic Hospital, Valencia 46026 (Spain); Perez-Calatayud, Jose [Radiotherapy Department, La Fe University and Polytechnic Hospital, Valencia 46026 (Spain); Ballester, Facundo [Department of Atomic, Molecular and Nuclear Physics, University of Valencia, Burjassot 46100 (Spain); Rivard, Mark J. [Department of Radiation Oncology, Tufts University School of Medicine, Boston, Massachusetts 02111 (United States)

    2013-03-15

    Purpose: The aim of this study was to obtain equivalent doses in radiosensitive organs (aside from the bladder and rectum) when applying high-dose-rate (HDR) brachytherapy to a localized prostate carcinoma using {sup 60}Co or {sup 192}Ir sources. These data are compared with results in a water phantom and with expected values in an infinite water medium. A comparison with reported values from proton therapy and intensity-modulated radiation therapy (IMRT) is also provided. Methods: Monte Carlo simulations in Geant4 were performed using a voxelized phantom described in International Commission on Radiological Protection (ICRP) Publication 110, which reproduces masses and shapes from an adult reference man defined in ICRP Publication 89. Point sources of {sup 60}Co or {sup 192}Ir with photon energy spectra corresponding to those exiting their capsules were placed in the center of the prostate, and equivalent doses per clinical absorbed dose in this target organ were obtained in several radiosensitive organs. Values were corrected to account for clinical circumstances with the source located at various positions with differing dwell times throughout the prostate. This was repeated for a homogeneous water phantom. Results: For the nearest organs considered (bladder, rectum, testes, small intestine, and colon), equivalent doses given by {sup 60}Co source were smaller (8%-19%) than from {sup 192}Ir. However, as the distance increases, the more penetrating gamma rays produced by {sup 60}Co deliver higher organ equivalent doses. The overall result is that effective dose per clinical absorbed dose from a {sup 60}Co source (11.1 mSv/Gy) is lower than from a {sup 192}Ir source (13.2 mSv/Gy). On the other hand, equivalent doses were the same in the tissue and the homogeneous water phantom for those soft tissues closer to the prostate than about 30 cm. As the distance increased, the differences of photoelectric effect in water and soft tissue, and appearance of other materials

  13. Open source software for electric field Monte Carlo simulation of coherent backscattering in biological media containing birefringence.

    Science.gov (United States)

    Radosevich, Andrew J; Rogers, Jeremy D; Capoğlu, Ilker R; Mutyal, Nikhil N; Pradhan, Prabhakar; Backman, Vadim

    2012-11-01

    ABSTRACT. We present an open source electric field tracking Monte Carlo program to model backscattering in biological media containing birefringence, with computation of the coherent backscattering phenomenon as an example. These simulations enable the modeling of tissue scattering as a statistically homogeneous continuous random media under the Whittle-Matérn model, which includes the Henyey-Greenstein phase function as a special case, or as a composition of discrete spherical scatterers under Mie theory. The calculation of the amplitude scattering matrix for the above two cases as well as the implementation of birefringence using the Jones N-matrix formalism is presented. For ease of operator use and data processing, our simulation incorporates a graphical user interface written in MATLAB to interact with the underlying C code. Additionally, an increase in computational speed is achieved through implementation of message passing interface and the semi-analytical approach. Finally, we provide demonstrations of the results of our simulation for purely scattering media and scattering media containing linear birefringence.

  14. A comparative study of a stochastic and deterministic simulation of strong ground motion applied to the Kozani-Grevena (NW Greece 1995 sequence

    Directory of Open Access Journals (Sweden)

    C. Papaioannou

    2000-06-01

    Full Text Available We present the results of a comparative study of two intrinsically different methodologies, a stochastic one and a deterministic one, performed to simulate strong ground motion in the Kozani area (NW Greece. Source parameters were calculated from empirical relations in order to check their reliability, in combination with the applied methodologies, to simulate future events. Strong ground motion from the Kozani mainshock (13 May, 1995, M w = 6.5 was synthesized by using both the stochastic method for finite-fault cases and the empirical Green’s function method. The latter method was also applied to simulate a Mw = 5.1 aftershock (19 May, 1995. The results of the two simulations computed for the mainshock are quite satisfactory for both methodologies at the frequencies of engineering interest (> ~ 2 Hz. This strengthens the idea of incorporating proper empirical relations for the estimation of source parameters in a priori simulations of strong ground motion from future earthquakes. Nevertheless, the results of the simulation of the smaller earthquake point out the need for further investigation of regional or local, if possible, relations for estimating source parameters at smaller magnitude ranges

  15. Biological computation

    CERN Document Server

    Lamm, Ehud

    2011-01-01

    Introduction and Biological BackgroundBiological ComputationThe Influence of Biology on Mathematics-Historical ExamplesBiological IntroductionModels and Simulations Cellular Automata Biological BackgroundThe Game of Life General Definition of Cellular Automata One-Dimensional AutomataExamples of Cellular AutomataComparison with a Continuous Mathematical Model Computational UniversalitySelf-Replication Pseudo Code Evolutionary ComputationEvolutionary Biology and Evolutionary ComputationGenetic AlgorithmsExample ApplicationsAnalysis of the Behavior of Genetic AlgorithmsLamarckian Evolution Genet

  16. SAR measurement due to mobile phone exposure in a simulated biological media.

    Science.gov (United States)

    Behari, J; Nirala, Jay Prakash

    2012-09-01

    The specific absorption rate (SAR) measurements are carried out for compliance testing of personal 3G Mobile phone. The accuracy of this experimental setup has been checked by comparing the SAR in 10 gm of simulated tissue and an arbitrary shaped box. This has been carried out using a 3G mobile Phone at 1718.5 MHz, in a medium simulating brain and muscle phantom. The SAR measurement system consists of a stepper motor to move a monopole E-field probe in two dimensions inside an arbitrary shaped box. The phantom is filled with appropriate frequency-specific fluids with measured electrical properties (dielectric constant and conductivity). That is close to the average for gray and white matters of the brain at the frequencies of interest (1718.5 MHz). Induced fields are measured using a specially designed monopole probe in its close vicinity. The probe is immersed in the phantom material. The measured data for induced fields are used to compute SAR values at various locations with respect to the mobile phone location. It is concluded that these SAR values are position dependent and well below the safety criteria prescribed for human exposure.

  17. Integrating biology, field logistics, and simulations to optimize parameter estimation for imperiled species

    Science.gov (United States)

    Lanier, Wendy E.; Bailey, Larissa L.; Muths, Erin L.

    2016-01-01

    Conservation of imperiled species often requires knowledge of vital rates and population dynamics. However, these can be difficult to estimate for rare species and small populations. This problem is further exacerbated when individuals are not available for detection during some surveys due to limited access, delaying surveys and creating mismatches between the breeding behavior and survey timing. Here we use simulations to explore the impacts of this issue using four hypothetical boreal toad (Anaxyrus boreas boreas) populations, representing combinations of logistical access (accessible, inaccessible) and breeding behavior (synchronous, asynchronous). We examine the bias and precision of survival and breeding probability estimates generated by survey designs that differ in effort and timing for these populations. Our findings indicate that the logistical access of a site and mismatch between the breeding behavior and survey design can greatly limit the ability to yield accurate and precise estimates of survival and breeding probabilities. Simulations similar to what we have performed can help researchers determine an optimal survey design(s) for their system before initiating sampling efforts.

  18. Intelligent simulated annealing algorithm applied to the optimization of the main magnet for magnetic resonance imaging machine; Algoritmo simulated annealing inteligente aplicado a la optimizacion del iman principal de una maquina de resonancia magnetica de imagenes

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez Lopez, Hector [Universidad de Oriente, Santiago de Cuba (Cuba). Centro de Biofisica Medica]. E-mail: hsanchez@cbm.uo.edu.cu

    2001-08-01

    This work describes an alternative algorithm of Simulated Annealing applied to the design of the main magnet for a Magnetic Resonance Imaging machine. The algorithm uses a probabilistic radial base neuronal network to classify the possible solutions, before the objective function evaluation. This procedure allows reducing up to 50% the number of iterations required by simulated annealing to achieve the global maximum, when compared with the SA algorithm. The algorithm was applied to design a 0.1050 Tesla four coil resistive magnet, which produces a magnetic field 2.13 times more uniform than the solution given by SA. (author)

  19. Large eddy simulations of forest canopies for determination of biological dispersal by wind

    Science.gov (United States)

    Bohrer, Gil

    Forest canopies interact with the atmosphere by emitting heat and moisture fluxes, by dragging the flow and by forming obstacles to the flow. Forests are heterogeneous with structural features at a vast range of length scale. The atmospheric effects of micro-scale canopy structures, which describe differences between individual trees, have so far been poorly studied. Changes to turbulence, flow patterns, and fluxes in and above the canopy strongly affect the dispersal of seeds and its ecological consequences because they are strongly dependent on the far "tail" of the dispersal distribution. The Regional Atmospheric Modeling System (RAMS) is further developed to operate as a large-eddy simulation (LES) at high resolution with 3D heterogeneous forest canopies. This RAMS-based Forest LES (RAFLES) represents the canopy through drag, volume restriction by stems, and heat and moisture fluxes in the canopy domain. The model incorporates explicit canopy descriptions, which can be obtained from observations, or from the virtual-canopy generator, which is developed here. RAFLES is used to simulate noontime conditions for two days at the hardwood stand in the Duke Forest, representing two sets of atmospheric and canopy conditions. The results are evaluated against eddy-flux observations from these days. RAFLES compares well to the observed data. Comparison between artificial homogeneous cases and natural heterogeneous cases reveals that small-scale canopy heterogeneity affects the profiles of momentum and scalar fluxes, and modifies the spatial structure of the flow. Low areas in the canopy promote ejection events, which leads to a correlation between the canopy height and flow variables that extends up to four times the canopy height. Seed dispersal kernels simulated with RAFLES closely match those measured in seed release experiments in a temperate forest. It is also used to examine potential biases resulting from simplifications in common dispersal models, such as planar

  20. Numerical simulations of hydrodynamic instabilities: Perturbation codes PANSY, PERLE, and 2D code CHIC applied to a realistic LIL target

    Science.gov (United States)

    Hallo, L.; Olazabal-Loumé, M.; Maire, P. H.; Breil, J.; Morse, R.-L.; Schurtz, G.

    2006-06-01

    This paper deals with ablation front instabilities simulations in the context of direct drive ICF. A simplified DT target, representative of realistic target on LIL is considered. We describe here two numerical approaches: the linear perturbation method using the perturbation codes Perle (planar) and Pansy (spherical) and the direct simulation method using our Bi-dimensional hydrodynamic code Chic. Numerical solutions are shown to converge, in good agreement with analytical models.

  1. Flow field from transient bubble oscillation in a narrow gap: numerical simulations and effect on biological cells

    CERN Document Server

    Mohammadzadeh, Milad; Ohl, Claus-Dieter

    2016-01-01

    The flow driven by a rapidly expanding and collapsing cavitation bubble in a narrow cylindrical gap is studied with the volume of fluid method. The simulations reveal a developing plug flow during the early expansion followed by flow reversal at later stages. An adverse pressure gradient leads to boundary layer separation and flow reversal, causing large shear stress near the boundaries. Analytical solution to a planar pulsating flow shows qualitative agreement with the CFD results. The shear stress close to boundaries has implications to deformable objects located near the bubble: experiments reveal that thin, flat biological cells entrained in the boundary layer become stretched, while cells with a larger cross-section are mainly transported with the flow.

  2. Simulations of a mortality plateau in the sexual Penna model for biological aging

    Science.gov (United States)

    Schwämmle, V.; de Oliveira, S. Moss

    2005-09-01

    The Penna model is a strategy to simulate the genetic dynamics of age-structured populations, in which the individual genomes are represented by bit strings. It provides a simple metaphor for the evolutionary process in terms of the mutation accumulation theory. In its original version, an individual dies due to inherited diseases when its current number of accumulated mutations, n , reaches a threshold value T . Since the mean number of diseases increases with age, the probability to die is zero for very young ages (ngenetic death age, we test several other functions that may or may not slightly increase the death probability at young ages (nages. By imposing certain conditions, it has been possible to obtain a clear plateau using the Penna model. However, a more realistic one appears when a modified version, that keeps the population size fixed without fluctuations, is used. We also find a relation between the birth rate, the age structure of the population, and the death probability.

  3. Using Multiple Lenses to Examine the Development of Beginning Biology Teachers' Pedagogical Content Knowledge for Teaching Natural Selection Simulations

    Science.gov (United States)

    Sickel, Aaron J.; Friedrichsen, Patricia

    2017-03-01

    Pedagogical content knowledge (PCK) has become a useful construct to examine science teacher learning. Yet, researchers conceptualize PCK development in different ways. The purpose of this longitudinal study was to use three analytic lenses to understand the development of three beginning biology teachers' PCK for teaching natural selection simulations. We observed three early-career biology teachers as they taught natural selection in their respective school contexts over two consecutive years. Data consisted of six interviews with each participant. Using the PCK model developed by Magnusson et al. (1999), we examined topic-specific PCK development utilizing three different lenses: (1) expansion of knowledge within an individual knowledge base, (2) integration of knowledge across knowledge bases, and (3) knowledge that explicitly addressed core concepts of natural selection. We found commonalities across the participants, yet each lens was also useful to understand the influence of different factors (e.g., orientation, subject matter preparation, and the idiosyncratic nature of teacher knowledge) on PCK development. This multi-angle approach provides implications for considering the quality of beginning science teachers' knowledge and future research on PCK development. We conclude with an argument that explicitly communicating lenses used to understand PCK development will help the research community compare analytic approaches and better understand the nature of science teacher learning.

  4. Reconstruction of complex passageways for simulations of transport phenomena: development of a graphical user interface for biological applications.

    Science.gov (United States)

    Godo, M N; Morgan, K T; Richardson, R B; Kimbell, J S

    1995-07-01

    Flow of fluids, such as blood, lymph and air, plays a major role in the normal physiology of all living organisms. Within individual organ systems, flow fields may significantly influence the transport of solutes, including nutrients and chemical toxicants, to and from the confining vessel walls (epithelia and endothelia). Computational fluid dynamics (CFD) provides a potentially useful tool for biologists and toxicologists investigating solute disposition in these flow fields in both normal and disease states. Application of CFD is dependent upon generation of accurate representations of the geometry of the system of interest in the form of a computational reconstruction. The present investigations, which were based on studies of the toxicology of inhaled reactive gases in the respiratory tract of rodents, provide computer programs for the generation of finite element meshes from serial tissue cross-sections. These programs, which interface with a commercial finite element fluid dynamics simulation package (FIDAP 7.05, Fluid Dynamics International, Evanston, IL), permit simulation of fluid flow in the complex geometries and local solute mass flux to the vessel walls of biological systems. The use of these programs and their application to studies of respiratory tract toxicology are described.

  5. A computer simulation approach to quantify the true area and true area compressibility modulus of biological membranes

    Energy Technology Data Exchange (ETDEWEB)

    Chacón, Enrique, E-mail: echacon@icmm.csic.es [Instituto de Ciencia de Materiales de Madrid, CSIC, 28049 Madrid, Spain and Instituto de Ciencia de Materiales Nicolás Cabrera, Universidad Autónoma de Madrid, Madrid 28049 (Spain); Tarazona, Pedro, E-mail: pedro.tarazona@uam.es [Departamento de Física Teórica de la Materia Condensada, Condensed Matter Physics Center (IFIMAC), and Instituto de Ciencia de Materiales Nicolás Cabrera, Universidad Autónoma de Madrid, Madrid 28049 (Spain); Bresme, Fernando, E-mail: f.bresme@imperial.ac.uk [Department of Chemistry, Imperial College London, SW7 2AZ London (United Kingdom)

    2015-07-21

    We present a new computational approach to quantify the area per lipid and the area compressibility modulus of biological membranes. Our method relies on the analysis of the membrane fluctuations using our recently introduced coupled undulatory (CU) mode [Tarazona et al., J. Chem. Phys. 139, 094902 (2013)], which provides excellent estimates of the bending modulus of model membranes. Unlike the projected area, widely used in computer simulations of membranes, the CU area is thermodynamically consistent. This new area definition makes it possible to accurately estimate the area of the undulating bilayer, and the area per lipid, by excluding any contributions related to the phospholipid protrusions. We find that the area per phospholipid and the area compressibility modulus features a negligible dependence with system size, making possible their computation using truly small bilayers, involving a few hundred lipids. The area compressibility modulus obtained from the analysis of the CU area fluctuations is fully consistent with the Hooke’s law route. Unlike existing methods, our approach relies on a single simulation, and no a priori knowledge of the bending modulus is required. We illustrate our method by analyzing 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine bilayers using the coarse grained MARTINI force-field. The area per lipid and area compressibility modulus obtained with our method and the MARTINI forcefield are consistent with previous studies of these bilayers.

  6. Simulation of phytoplankton distribution and variation in the Bering-Chukchi Sea using a 3-D physical-biological model

    Science.gov (United States)

    Hu, Haoguo; Wang, Jia; Liu, Hui; Goes, Joaquim

    2016-06-01

    A three-dimensional physical-biological model has been used to simulate seasonal phytoplankton variations in the Bering and Chukchi Seas with a focus on understanding the physical and biogeochemical mechanisms involved in the formation of the Bering Sea Green Belt (GB) and the Subsurface Chlorophyll Maxima (SCM). Model results suggest that the horizontal distribution of the GB is controlled by a combination of light, temperature, and nutrients. Model results indicated that the SCM, frequently seen below the thermocline, exists because of a rich supply of nutrients and sufficient light. The seasonal onset of phytoplankton blooms is controlled by different factors at different locations in the Bering-Chukchi Sea. In the off-shelf central region of the Bering Sea, phytoplankton blooms are regulated by available light. On the Bering Sea shelf, sea ice through its influence on light and temperature plays a key role in the formation of blooms, whereas in the Chukchi Sea, bloom formation is largely controlled by ambient seawater temperatures. A numerical experiment conducted as part of this study revealed that plankton sinking is important for simulating the vertical distribution of phytoplankton and the seasonal formation of the SCM. An additional numerical experiment revealed that sea ice algae account for 14.3-36.9% of total phytoplankton production during the melting season, and it cannot be ignored when evaluating primary productivity in the Arctic Ocean.

  7. Applying Dynamic Energy Budget (DEB) theory to simulate growth and bio-energetics of blue mussels under low seston conditions

    Science.gov (United States)

    Rosland, R.; Strand, Ø.; Alunno-Bruscia, M.; Bacher, C.; Strohmeier, T.

    2009-08-01

    A Dynamic Energy Budget (DEB) model for simulation of growth and bioenergetics of blue mussels ( Mytilus edulis) has been tested in three low seston sites in southern Norway. The observations comprise four datasets from laboratory experiments (physiological and biometrical mussel data) and three datasets from in situ growth experiments (biometrical mussel data). Additional in situ data from commercial farms in southern Norway were used for estimation of biometrical relationships in the mussels. Three DEB parameters (shape coefficient, half saturation coefficient, and somatic maintenance rate coefficient) were estimated from experimental data, and the estimated parameters were complemented with parameter values from literature to establish a basic parameter set. Model simulations based on the basic parameter set and site specific environmental forcing matched fairly well with observations, but the model was not successful in simulating growth at the extreme low seston regimes in the laboratory experiments in which the long period of negative growth caused negative reproductive mass. Sensitivity analysis indicated that the model was moderately sensitive to changes in the parameter and initial conditions. The results show the robust properties of the DEB model as it manages to simulate mussel growth in several independent datasets from a common basic parameter set. However, the results also demonstrate limitations of Chl a as a food proxy for blue mussels and limitations of the DEB model to simulate long term starvation. Future work should aim at establishing better food proxies and improving the model formulations of the processes involved in food ingestion and assimilation. The current DEB model should also be elaborated to allow shrinking in the structural tissue in order to produce more realistic growth simulations during long periods of starvation.

  8. Numerical simulations of hydrodynamic instabilities: perturbation codes Pansy, Perle, and 2D code Chic applied to a realistic LIL target

    Energy Technology Data Exchange (ETDEWEB)

    Hallo, L.; Olazabal-Loume, M.; Maire, P.H.; Breil, J.; Schurtz, G. [CELIA, 33 - Talence (France); Morse, R.L. [Arizona Univ., Dept. of Nuclear Engineering, Tucson (United States)

    2006-06-15

    This paper deals with ablation front instabilities simulations in the context of direct drive inertial confinement fusion. A simplified deuterium-tritium target, representative of realistic target on LIL (laser integration line at Megajoule laser facility) is considered. We describe here two numerical approaches: the linear perturbation method using the perturbation codes Perle (planar) and Pansy (spherical) and the direct simulation method using our bi-dimensional hydrodynamic code Chic. Our work shows a good behaviour of all methods even for large wavenumbers during the acceleration phase of the ablation front. We also point out a good agreement between model and numerical predictions at ablation front during the shock wave transit.

  9. A parallel version of the non smooth contact dynamics algorithm applied to the simulation of granular media

    Science.gov (United States)

    Renouf, Mathieu; Dubois, Frederic; Alart, Pierre

    2004-07-01

    The NSCD method has shown its efficiency in the simulation of granular media. Since the number of particles and contact increases, the shape of the discrete elements becomes more complicated and the simulated problems becomes more complex, the numerical tools need to be improved in order to preserve reasonable elapsed CPU time. In this paper we present a parallelization approach of the NSCD algorithm and we investigate its influence on the numerical behaviour of the method. We illustrate the efficiency on an example made of hard disks: a free surface compaction.

  10. ERGONOMÍA Y SIMULACIÓN APLICADAS A LA INDUSTRIA / ERGONOMICS AND SIMULATION APPLIED TO THE INDUSTRY

    Directory of Open Access Journals (Sweden)

    Yordán Rodríguez Ruíz

    2011-03-01

    Full Text Available

    La simulación permite estimar el comportamiento de sistemas estocásticos complejos, cuando su estudio por la vía analítica resulta insuficiente. En este estudio se empleó esta técnica numérica, para mostrar el impacto de los rediseños ergonómicos realizados a las estaciones de trabajo de una estera. Para simular este sistema, se realizó un análisis preliminar de las estaciones de trabajo, con el objetivo de recoger información útil para diseñar un modelo lógico. El modelo fue simulado y sometido a los cambios resultantes del rediseño ergonómico de las estaciones de trabajo. Los resultados obtenidos mostraron la utilidad de la simulación para la predicción y el análisis del impacto que tendrían las propuestas efectuadas.

    Abstract

    Simulation is used when the stochastic system is too complex to be analyzed satisfactorily through analytic-mathematical models. In this research, the simulation was used to show the impact of the ergonomic redesigns at the workstations in a conveyor. To simulate this system, a preliminary analysis of the workstations was made in the order to collect useful information to design a logic model. This model was simulated and changed according to the ergonomic redesign of the workstations. The results proved the usefulness of simulation for predicting and analyzing the impact of the implemented propositions.

  11. Design and simulation of rate-based CO2 capture processes using carbonic anhydrase (CA) applied to biogas

    DEFF Research Database (Denmark)

    Fosbøl, Philip Loldrup; Gaspar, Jozsef; Jacobsen, Bjartur

    2017-01-01

    a potential to create negative emissions using bio-energy carbon capture and storage (BECCS). All sectors are still in the need for applying more sustainable carbon capture and storage (CCS) technologies which result in lower energy consumption while reducing the impact on the environment. Recently several....... The advantage is a noticeably lower regeneration energy compared to primary and secondary amines. As a result the cost for stripping is significantly lower. Reactivated slow tertiary amines are applied in this study with the aim of reducing energy consumption. This is achieved byusing carbonic anhydrase (CA...

  12. Simulations

    CERN Document Server

    Ngada, N M

    2015-01-01

    The complexity and cost of building and running high-power electrical systems make the use of simulations unavoidable. The simulations available today provide great understanding about how systems really operate. This paper helps the reader to gain an insight into simulation in the field of power converters for particle accelerators. Starting with the definition and basic principles of simulation, two simulation types, as well as their leading tools, are presented: analog and numerical simulations. Some practical applications of each simulation type are also considered. The final conclusion then summarizes the main important items to keep in mind before opting for a simulation tool or before performing a simulation.

  13. Improving the sampling strategy of the Joint Danube Survey 3 (2013) by means of multivariate statistical techniques applied on selected physico-chemical and biological data.

    Science.gov (United States)

    Hamchevici, Carmen; Udrea, Ion

    2013-11-01

    The concept of basin-wide Joint Danube Survey (JDS) was launched by the International Commission for the Protection of the Danube River (ICPDR) as a tool for investigative monitoring under the Water Framework Directive (WFD), with a frequency of 6 years. The first JDS was carried out in 2001 and its success in providing key information for characterisation of the Danube River Basin District as required by WFD lead to the organisation of the second JDS in 2007, which was the world's biggest river research expedition in that year. The present paper presents an approach for improving the survey strategy for the next planned survey JDS3 (2013) by means of several multivariate statistical techniques. In order to design the optimum structure in terms of parameters and sampling sites, principal component analysis (PCA), factor analysis (FA) and cluster analysis were applied on JDS2 data for 13 selected physico-chemical and one biological element measured in 78 sampling sites located on the main course of the Danube. Results from PCA/FA showed that most of the dataset variance (above 75%) was explained by five varifactors loaded with 8 out of 14 variables: physical (transparency and total suspended solids), relevant nutrients (N-nitrates and P-orthophosphates), feedback effects of primary production (pH, alkalinity and dissolved oxygen) and algal biomass. Taking into account the representation of the factor scores given by FA versus sampling sites and the major groups generated by the clustering procedure, the spatial network of the next survey could be carefully tailored, leading to a decreasing of sampling sites by more than 30%. The approach of target oriented sampling strategy based on the selected multivariate statistics can provide a strong reduction in dimensionality of the original data and corresponding costs as well, without any loss of information.

  14. Simulation for clinical repeated-dose pharmacokinetic trials applying a peak-and-trough sampling design to estimate oral clearance.

    Science.gov (United States)

    Ishida, Kazuya; Kayano, Yuichiro; Taguchi, Masato; Hashimoto, Yukiya

    2007-11-01

    We performed a simulation for the clinical pharmacokinetic study, in which blood was sampled at two time points corresponding to the peak concentration (C(peak)) and trough concentration (C(trough)) following repetitive oral drug administration to subjects. We estimated the approximate oral clearance (CL/F(approx)) as 2.D/(C(peak).tau+C(trough).tau), where D is the dose, and tau is the dosing interval. The CL/F(approx) value was accurate for drugs with a long-elimination half-life, and the estimation error of the CL/F value was slightly increased for drugs with a shorter elimination half-life. The accuracy of CL/F(approx) in each subject was not affected by the magnitude of the interindividual pharmacokinetic variability, but was significantly decreased by the larger measurement error of drug concentrations (or intraindividual pharmacokinetic variability). We further performed several computer simulations to mimic statistical hypothesis testing following the clinical repeated-dose pharmacokinetic trials. The statistical power to detect the difference of oral clearance between two groups was marginally dependent on the measurement error of drug concentration, but was highly dependent on the interindividual pharmacokinetic variability. These findings suggested that the peak-and-trough sampling design to estimate the CL/F(approx) value is useful for clinical repeated-dose pharmacokinetic trials, and that the study design and protocol should be evaluated carefully by computer simulation prior to a real clinical trial.

  15. Monte Carlo simulation of the response functions of Cd Te detectors to be applied in X-rays spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Tomal, A. [Universidade Federale de Goias, Instituto de Fisica, Campus Samambaia, 74001-970, Goiania, (Brazil); Lopez G, A. H.; Santos, J. C.; Costa, P. R., E-mail: alessandra_tomal@yahoo.com.br [Universidade de Sao Paulo, Instituto de Fisica, Rua du Matao Travessa R. 187, Cidade Universitaria, 05508-090 Sao Paulo (Brazil)

    2014-08-15

    In this work, the energy response functions of a Cd Te detector were obtained by Monte Carlo simulation in the energy range from 5 to 150 keV, using the Penelope code. The response functions simulated included the finite detector resolution and the carrier transport. The simulated energy response matrix was validated through comparison with experimental results obtained for radioactive sources. In order to investigate the influence of the correction by the detector response at diagnostic energy range, x-ray spectra were measured using a Cd Te detector (model Xr-100-T, Amptek), and then corrected by the energy response of the detector using the stripping procedure. Results showed that the Cd Te exhibit good energy response at low energies (below 40 keV), showing only small distortions on the measured spectra. For energies below about 70 keV, the contribution of the escape of Cd- and Te-K x-rays produce significant distortions on the measured x-ray spectra. For higher energies, the most important correction is the detector efficiency and the carrier trapping effects. The results showed that, after correction by the energy response, the measured spectra are in good agreement with those provided by different models from the literature. Finally, our results showed that the detailed knowledge of the response function and a proper correction procedure are fundamental for achieve more accurate spectra from which several qualities parameters (i.e. half-value layer, effective energy and mean energy) can be determined. (Author)

  16. MOBILIZATION OF ENDOCRINE DISRUPTING CHEMICALS AND ESTROGENIC ACTIVITY IN SIMULATED RAINFALL RUNOFF FROM LAND-APPLIED BIOSOLIDS

    OpenAIRE

    Giudice, Ben D.; Young, Thomas M.

    2011-01-01

    Municipal biosolids are commonly applied to land as soil amendment or fertilizer as a form of beneficial reuse of what could otherwise be viewed as waste. Balanced against this benefit are potential risks to groundwater and surface water quality from constituents that may be mobilized during storm events. The objective of the present study was to characterize the mobilization of selected endocrine disrupting compounds (EDCs), heavy metals, and total estrogenic activity in rainfall runoff from...

  17. X-ray holographic microscopy with zone plates applied to biological samples in the water window using 3rd harmonic radiation from the free-electron laser FLASH.

    Science.gov (United States)

    Gorniak, T; Heine, R; Mancuso, A P; Staier, F; Christophis, C; Pettitt, M E; Sakdinawat, A; Treusch, R; Guerassimova, N; Feldhaus, J; Gutt, C; Grübel, G; Eisebitt, S; Beyer, A; Gölzhäuser, A; Weckert, E; Grunze, M; Vartanyants, I A; Rosenhahn, A

    2011-06-06

    The imaging of hydrated biological samples - especially in the energy window of 284-540 eV, where water does not obscure the signal of soft organic matter and biologically relevant elements - is of tremendous interest for life sciences. Free-electron lasers can provide highly intense and coherent pulses, which allow single pulse imaging to overcome resolution limits set by radiation damage. One current challenge is to match both the desired energy and the intensity of the light source. We present the first images of dehydrated biological material acquired with 3rd harmonic radiation from FLASH by digital in-line zone plate holography as one step towards the vision of imaging hydrated biological material with photons in the water window. We also demonstrate the first application of ultrathin molecular sheets as suitable substrates for future free-electron laser experiments with biological samples in the form of a rat fibroblast cell and marine biofouling bacteria Cobetia marina.

  18. Applying new hybrid method of analytical hierarchy process, Monte Carlo Simulation and PROMETHEE to prioritize and selecting appropriate target market

    Directory of Open Access Journals (Sweden)

    Amir Kariznoee

    2015-06-01

    Full Text Available Making decision to choose the appropriate target market is one of the key decisions in the success of firms, which has direct effect in the amount of their profits. The aim of this paper is to introduce and use of new hybrid method of AHP, Monte Carlo simulation and PROMETHEE to prioritize cities to establish retailers, considering different indices. The problem of this study is related to a factory, constructing premade pieces of buildings, that to introduce and distribute its new products is searching the new retailers in different cities. To prioritize cities, with the interview with experts and the studying of the previous works the indices have been determined and the hierarchy pattern has been made. Then using the hybrid method of AHP and Monte Carlo simulation the weights of the indices have been determined and then using PROMETHEE method the best city has been chosen and the other ones have been prioritized. From the benefits of the new introduced hybrid method with respect to other ways of selecting target markets is decreasing the risk and increasing the power of decision making.

  19. Rainfall simulation in greenhouse microcosms to assess bacterial-associated runoff from land-applied poultry litter.

    Science.gov (United States)

    Brooks, John P; Adeli, Ardeshir; Read, John J; McLaughlin, Michael R

    2009-01-01

    Runoff water following a rain event is one possible source of environmental contamination after a manure application. This greenhouse study used a rainfall simulator to determine bacterial-associated runoff from troughs of common bermudagrass [Cynodon dactylon (L.) Pers.] that were treated with P-based, N-based, and N plus lime rates of poultry (Gallus gallus) litter, recommended inorganic fertilizer, and control. Total heterotrophic plate count (HPC) bacteria, total and thermotolerant coliforms, enterococci, staphylococci, Clostridium perfringens, Salmonella, and Campylobacter, as well as antibiotic resistance profiles for the staphylococci and enterococci isolates were all monitored in runoff waters. Analysis following five rainfall events indicated that staphylococci, enterococci, and clostridia levels were related to manure application rate. Runoff release of staphylococci, enterococci, and C. perfringens were approximately 3 to 6 log10 greater in litter vs. control treatment. In addition, traditional indicators such as thermotolerant and total coliforms performed poorly as fecal indicators. Some isolated enterococci demonstrated increased antibiotic resistance to polymixin b and/or select aminoglyocosides, while many staphylococci were susceptible to most antimicrobials tested. Results indicated poultry litter application can lead to microbial runoff following simulated rain events. Future studies should focus on the use of staphylococci, enterococci, and C. perfringens as indicators.

  20. Representing the effects of alpine grassland vegetation cover on the simulation of soil thermal dynamics by ecosystem models applied to the Qinghai-Tibetan Plateau

    Science.gov (United States)

    Yi, S.; Li, N.; Xiang, B.; Wang, X.; Ye, B.; McGuire, A.D.

    2013-01-01

    Soil surface temperature is a critical boundary condition for the simulation of soil temperature by environmental models. It is influenced by atmospheric and soil conditions and by vegetation cover. In sophisticated land surface models, it is simulated iteratively by solving surface energy budget equations. In ecosystem, permafrost, and hydrology models, the consideration of soil surface temperature is generally simple. In this study, we developed a methodology for representing the effects of vegetation cover and atmospheric factors on the estimation of soil surface temperature for alpine grassland ecosystems on the Qinghai-Tibetan Plateau. Our approach integrated measurements from meteorological stations with simulations from a sophisticated land surface model to develop an equation set for estimating soil surface temperature. After implementing this equation set into an ecosystem model and evaluating the performance of the ecosystem model in simulating soil temperature at different depths in the soil profile, we applied the model to simulate interactions among vegetation cover, freeze-thaw cycles, and soil erosion to demonstrate potential applications made possible through the implementation of the methodology developed in this study. Results showed that (1) to properly estimate daily soil surface temperature, algorithms should use air temperature, downward solar radiation, and vegetation cover as independent variables; (2) the equation set developed in this study performed better than soil surface temperature algorithms used in other models; and (3) the ecosystem model performed well in simulating soil temperature throughout the soil profile using the equation set developed in this study. Our application of the model indicates that the representation in ecosystem models of the effects of vegetation cover on the simulation of soil thermal dynamics has the potential to substantially improve our understanding of the vulnerability of alpine grassland ecosystems to

  1. General meeting. Technical reunion: the numerical and experimental simulation applied to the Reactor Physics; Assemblee generale. Reunion technique: la simulation numerique et experimentale appliquee a la physique des reacteurs

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2001-10-01

    The SFEN (French Society on Nuclear Energy), organized the 18 october 2001 at Paris, a technical day on the numerical and experimental simulation, applied to the reactor Physics. Nine aspects were discussed, giving a state of the art in the domain:the french nuclear park; the future technology; the controlled thermonuclear fusion; the new organizations and their implications on the research and development programs; Framatome-ANP markets and industrial code packages; reactor core simulation at high temperature; software architecture; SALOME; DESCARTES. (A.L.B.)

  2. A Monte Carlo simulation of radiative transfer in the atmosphere applied to ToTaL-DOAS

    Science.gov (United States)

    Premuda, M.; Masieri, S.; Bortoli, D.; Margelli, F.; Ravegnani, F.; Petritoli, A.; Kostadinov, I.; Giovanelli, G.; Cupini, E.

    2009-09-01

    In the frame of DOAS, a Monte Carlo code has been developed, to calculate, for a given detector with assigned diameter and field of view, the single and multiple scattering radiance. Very general 3-D geometry is foreseen. Spatial distribution along the detector axis for the single and total scattering radiance are computed. Ground reflected contributions to the solar radiance are estimated. Differential effects due to small perturbations in physical parameters, such as ozone density, can simultaneously be taken into account in the same calculation. The code has been applied to ToTaL-DOAS (Topographic Target Light scattering-Differential Optical Absorption Spectroscopy) measurements.

  3. Transport behavior of surrogate biological warfare agents in a simulated landfill: Effect of leachate recirculation and water infiltration

    KAUST Repository

    Saikaly, Pascal

    2010-11-15

    An understanding of the transport behavior of biological warfare (BW) agents in landfills is required to evaluate the suitability of landfills for the disposal of building decontamination residue (BDR) following a bioterrorist attack on a building. Surrogate BW agents, Bacillus atrophaeus spores and Serratia marcescens, were spiked into simulated landfill reactors that were filled with synthetic building debris (SBD) and operated for 4 months with leachate recirculation or water infiltration. Quantitative polymerase chain reaction (Q-PCR) was used to monitor surrogate transport. In the leachate recirculation reactors, <10% of spiked surrogates were eluted in leachate over 4 months. In contrast, 45% and 31% of spiked S. marcescens and B. atrophaeus spores were eluted in leachate in the water infiltration reactors. At the termination of the experiment, the number of retained cells and spores in SBD was measured over the depth of the reactor. Less than 3% of the total spiked S. marcescens cells and no B. atrophaeus spores were detected in SBD. These results suggest that significant fractions of the spiked surrogates were strongly attached to SBD. © 2010 American Chemical Society.

  4. A counterpoint between computer simulations and biological experiments to train new members of a laboratory of physiological sciences.

    Science.gov (United States)

    Ozu, Marcelo; Dorr, Ricardo A; Gutiérrez, Facundo; Politi, M Teresa; Toriano, Roxana

    2012-12-01

    When new members join a working group dedicated to scientific research, several changes occur in the group's dynamics. From a teaching point of view, a subsequent challenge is to develop innovative strategies to train new staff members in creative thinking, which is the most complex and abstract skill in the cognitive domain according to Bloom's revised taxonomy. In this sense, current technological and digital advances offer new possibilities in the field of education. Computer simulation and biological experiments can be used together as a combined tool for teaching and learning sometimes complex physiological and biophysical concepts. Moreover, creativity can be thought of as a social process that relies on interactions among staff members. In this regard, the acquisition of cognitive abilities coexists with the attainment of other skills from psychomotor and affective domains. Such dynamism in teaching and learning stimulates teamwork and encourages the integration of members of the working group. A practical example, based on the teaching of biophysical subjects such as osmosis, solute transport, and membrane permeability, which are crucial in understanding the physiological concept of homeostasis, is presented.

  5. A numerical model (MISER) for the simulation of coupled physical, chemical and biological processes in soil vapor extraction and bioventing systems

    Science.gov (United States)

    Rathfelder, Klaus M.; Lang, John R.; Abriola, Linda M.

    2000-05-01

    The efficiency and effectiveness of soil vapor extraction (SVE) and bioventing (BV) systems for remediation of unsaturated zone soils is controlled by a complex combination of physical, chemical and biological factors. The Michigan soil vapor extraction remediation (MISER) model, a two-dimensional numerical simulator, is developed to advance our ability to investigate the performance of field scale SVE and BV systems by integrating processes of multiphase flow, multicomponent compositional transport with nonequilibrium interphase mass transfer, and aerobic biodegradation. Subsequent to the model presentation, example simulations of single well SVE and BV systems are used to illustrate the interplay between physical, chemical and biological processes and their potential influence on remediation efficiency and the pathways of contaminant removal. Simulations of SVE reveal that removal efficiency is controlled primarily by the ability to engineer gas flow through regions of organic liquid contaminated soil and by interphase mass transfer limitations. Biodegradation is found to play a minor role in mass removal for the examined SVE scenarios. Simulations of BV systems suggest that the effective supply of oxygen may not be the sole criterion for efficient BV performance. The efficiency and contaminant removal pathways in these systems can be significantly influenced by interdependent dynamics involving biological growth factors, interphase mass transfer rates, and air injection rates. Simulation results emphasize the need for the continued refinement and validation of predictive interphase mass transfer models applicable under a variety of conditions and for the continued elucidation and quantification of microbial processes under unsaturated field conditions.

  6. Montecarlo Simulation Applied to Measurement of the Impact of the Smart Antenna Technology in Digital Cellular Systems

    Directory of Open Access Journals (Sweden)

    Castañeda-Camacho Josefina

    2015-03-01

    Full Text Available The smart antenna technology has received increasing interest due to its capability for improving the performance of wireless radio systems. In this work, we studied the throughput maximization in a digital cellular system when a smart antenna array is implemented. We focus, in the study of the downlink of a 3G cellular system and consider a packet data direct-sequence code division, multiple access (DS-CDMA. Our methodology is based on the Monte Carlo simulation technique, and it is used to show that it is possible to obtain a significant increment in the throughput of the system due to the switched beam smart antenna array. From our results we conclude that it is feasible to consider the application of this technology in 4G environments.

  7. Simulation model of absorption and scattering properties of laser light applied to urban aerosols over the city of Popayan, Colombia

    Science.gov (United States)

    Bastidas, Alvaro E.; Rodriguez, Edith; Jaramillo, Mauricio; Solarte, Efrain

    2004-11-01

    Aerosols are among the most spatially variable components of the atmosphere, and thus their study requires their monitoring over a broad geographic range. The backscattering of light from suspended solid and liquid particles in the atmosphere obeys Mie scattering theory. Light attenuation in the spectral region from 300 to 4000 nm due to Mie scattering exceeds that due to molecular (Rayleigh) scattering and ozone absorption combined. This occurs despite the fact that aerosol particle concentrations in the atmosphere are many orders of magnitude smaller than molecular concentrations. Starting from the characteristics of urban aerosols measured over the city of Popayan, Colombia), 2° 27" N; 76° 37' W, with a PM10 particle selector, we present the results of a study of light attenuation properties generated using Matlab computer code, to simulate and predict measurements with a Lidar system operating at 514.5 nm.

  8. Simulation of space-borne tsunami detection using GNSS-Reflectometry applied to tsunamis in the Indian Ocean

    Directory of Open Access Journals (Sweden)

    R. Stosius

    2010-06-01

    Full Text Available Within the German-Indonesian Tsunami Early Warning System project GITEWS (Rudloff et al., 2009, a feasibility study on a future tsunami detection system from space has been carried out. The Global Navigation Satellite System Reflectometry (GNSS-R is an innovative way of using reflected GNSS signals for remote sensing, e.g. sea surface altimetry. In contrast to conventional satellite radar altimetry, multiple height measurements within a wide field of view can be made simultaneously. With a dedicated Low Earth Orbit (LEO constellation of satellites equipped with GNSS-R, densely spaced sea surface height measurements could be established to detect tsunamis. This simulation study compares the Walker and the meshed comb constellation with respect to their global reflection point distribution. The detection performance of various LEO constellation scenarios with GPS, GLONASS and Galileo as signal sources is investigated. The study concentrates on the detection performance for six historic tsunami events in the Indian Ocean generated by earthquakes of different magnitudes, as well as on different constellation types and orbit parameters. The GNSS-R carrier phase is compared with the PARIS or code altimetry approach. The study shows that Walker constellations have a much better reflection point distribution compared to the meshed comb constellation. Considering simulation assumptions and assuming technical feasibility it can be demonstrated that strong tsunamis with magnitudes (M ≥8.5 can be detected with certainty from any orbit altitude within 15–25 min by a 48/8 or 81/9 Walker constellation if tsunami waves of 20 cm or higher can be detected by space-borne GNSS-R. The carrier phase approach outperforms the PARIS altimetry approach especially at low orbit altitudes and for a low number of LEO satellites.

  9. Monte Carlo simulation of parameter confidence intervals for non-linear regression analysis of biological data using Microsoft Excel.

    Science.gov (United States)

    Lambert, Ronald J W; Mytilinaios, Ioannis; Maitland, Luke; Brown, Angus M

    2012-08-01

    This study describes a method to obtain parameter confidence intervals from the fitting of non-linear functions to experimental data, using the SOLVER and Analysis ToolPaK Add-In of the Microsoft Excel spreadsheet. Previously we have shown that Excel can fit complex multiple functions to biological data, obtaining values equivalent to those returned by more specialized statistical or mathematical software. However, a disadvantage of using the Excel method was the inability to return confidence intervals for the computed parameters or the correlations between them. Using a simple Monte-Carlo procedure within the Excel spreadsheet (without recourse to programming), SOLVER can provide parameter estimates (up to 200 at a time) for multiple 'virtual' data sets, from which the required confidence intervals and correlation coefficients can be obtained. The general utility of the method is exemplified by applying it to the analysis of the growth of Listeria monocytogenes, the growth inhibition of Pseudomonas aeruginosa by chlorhexidine and the further analysis of the electrophysiological data from the compound action potential of the rodent optic nerve.

  10. Computational Fluid Dynamic Simulations of Maternal Circulation: Wall Shear Stress in the Human Placenta and Its Biological Implications

    Science.gov (United States)

    Lecarpentier, E.; Bhatt, M.; Bertin, G. I.; Deloison, B.; Salomon, L. J.; Deloron, P.; Fournier, T.; Barakat, A. I.; Tsatsaris, V.

    2016-01-01

    Introduction In the human placenta the maternal blood circulates in the intervillous space (IVS). The syncytiotrophoblast (STB) is in direct contact with maternal blood. The wall shear stress (WSS) exerted by the maternal blood flow on the STB has not been evaluated. Our objective was to determine the physiological WSS exerted on the surface of the STB during the third trimester of pregnancy. Material and Methods To gain insight into the shear stress levels that the STB is expected to experience in vivo, we have formulated three different computational models of varying levels of complexity that reflect different physical representations of the IVS. Computations of the flow fields in all models were performed using the CFD module of the finite element code COMSOL Multiphysics 4.4. The mean velocity of maternal blood in the IVS during the third trimester was measured in vivo with dynamic MRI (0.94±0.14 mm.s-1). To investigate if the in silico results are consistent with physiological observations, we studied the cytoadhesion of human parasitized (Plasmodium falciparum) erythrocytes to primary human STB cultures, in flow conditions with different WSS values. Results The WSS applied to the STB is highly heterogeneous in the IVS. The estimated average values are relatively low (0.5±0.2 to 2.3±1.1 dyn.cm-2). The increase of WSS from 0.15 to 5 dyn.cm-2 was associated with a significant decrease of infected erythrocyte cytoadhesion. No cytoadhesion of infected erythrocytes was observed above 5 dyn.cm-2 applied for one hour. Conclusion Our study provides for the first time a WSS estimation in the maternal placental circulation. In spite of high maternal blood flow rates, the average WSS applied at the surface of the chorionic villi is low (<5 dyn.cm-2). These results provide the basis for future physiologically-relevant in vitro studies of the biological effects of WSS on the STB. PMID:26815115

  11. Simulation study on the efficiencies of MOET nucleus breeding schemes applying marker assisted selection in dairy cattle

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    Advantages of breeding schemes using genetic marker information and/or multiple ovulation and embryo transfer(MOET) technology over the traditional approach were extensively evaluated through simulation.Milk yield was the trait of interest and QTL was the genetic marker utilized.Eight dairy cattle breeding scenarios were considered,i.e.,traditional progeny testing breeding scheme(denoted as STANPT),GASPT scheme including a pre-selection of young bulls entering progeny testing based on their own QTL information,MOETPT scheme using MOET technology to generate young bulls and a selection of young bulls limited within the full-sib family,GAMOPT scheme adopting both QTL pre-selection and MOET technology,COMBPT scheme using a mixed linear model which considered QTL genotype instead of the BLUP model in GAMOPT,and three non-progeny testing schemes,i.e.the MOET,GAMO and COMB schemes,corresponding to MOETPT,GAMOPT and COMBPT with progeny testing being part of the system.Animals were selected based on their breeding value which was estimated under an animal model framework.Sequential selection over 17 years was performed in the simulations and 30 replicates were designed for each scenario.The influences of using QTL information and MOET technology on favorable QTL allele frequency,true breeding values,polygenetic breeding values and the accumulated genetic superiority were extensively evaluated,for five different populations including active sires,lactating cows,bull dams,bull sires,and young bulls.The results showed that the combined schemes significantly outperformed other approaches wherein accumulated true breeding value progressed.The difference between schemes exclusively using QTL information or MOET technology was not significant.The STANPT scheme was the least efficient among the 8 schemes.The schemes using MOET technology had a higher polygenetic response than others in the 17th year.The increases of frequency of the favorable QTL allele varied more greatly across

  12. Simulation study on the efficiencies of MOET nucleus breeding schemes applying marker assisted selection in dairy cattle

    Institute of Scientific and Technical Information of China (English)

    LUO WeiZhen; WANG YaChun; ZHANG Yuan

    2009-01-01

    Advantages of breeding schemes using genetic marker information and/or multiple ovulation and em-bryo transfer (MOET) technology over the traditional approach were extensively evaluated through simulation. Milk yield was the trait of interest and QTL was the genetic marker utilized. Eight dairy cattle breeding scenarios were considered, i.e., traditional progeny testing breeding scheme (denoted as STANPT), GASPT scheme including a pre-selection of young bulls entering progeny testing based on their own QTL information, MOETPT scheme using MOET technology to generate young bulls and a selection of young bulls limited within the full-sib family, GAMOPT scheme adopting both QTL pre-selection and MOET technology, COMBPT scheme using a mixed linear model which considered QTL genotype instead of the BLUP model in GAMOPT, and three non-progeny testing schemes, i.e. the MOET, GAMO and COMB schemes, corresponding to MOETPT, GAMOPT and COMBPT with progeny testing being part of the system. Animals were selected based on their breeding value which was es-timated under an animal model framework. Sequential selection over 17 years was performed in the simulations and 30 replicates were designed for each scenario. The influences of using QTL informa-tion and MOET technology on favorable QTL allele frequency, true breeding values, polygenetic breeding values and the accumulated genetic superiority were extensively evaluated, for five different populations including active sires, lactating cows, bull dams, bull sires, and young bulls. The results showed that the combined schemes significantly outperformed other approaches wherein accumulated true breeding value progressed. The difference between schemes exclusively using QTL information or MOET technology was not significant. The STANPT scheme was the least efficient among the 8 schemes. The schemes using MOET technology had a higher polygenetic response than others in the 17th year. The increases of frequency of the favorable QTL

  13. Simulation study on structure of water in aqueous solutions confined between graphene electrodes under very high applied electric field

    Science.gov (United States)

    Leuty, Gary; Tsige, Mesfin; Talapatra, Saikat

    2011-03-01

    Arising from questions regarding electric double-layer capacitors utilizing graphene electrodes and aqueous electrolyte (KOH solution), atomistic MD simulations of electrolyte confined between graphene electrodes were performed to understand the behavior of electrolyte as a function of electric field strength and solution concentration, from pure water to 6M KOH. It was noted that the strength of the electric field had a demonstrable effect on the structure of pure water between the electrodes (as has previously been seen in highly confined multilayer water systems), creating regularly spaced channels and densely packed sheets of highly ordered molecules. We also saw a clear effect due to the presence of electrolyte ions and their separation from the water due to the action of the field; different field strengths appear to greatly alter the distribution of ions, which in turn affects the structure and ordering of the water. Time dependence in the strength of the electric field was also studied to determine what effect, if any, it has on induced structure. Authors gratefully acknowledge support from the ACS Petroleum Research Fund and the National Science Foundation.

  14. Biological Interactions and Simulated Climate Change Modulates the Ecophysiological Performance of Colobanthus quitensis in the Antarctic Ecosystem

    Science.gov (United States)

    Torres-Díaz, Cristian; Gallardo-Cerda, Jorge; Lavin, Paris; Oses, Rómulo; Carrasco-Urra, Fernando; Atala, Cristian; Acuña-Rodríguez, Ian S.; Convey, Peter; Molina-Montenegro, Marco A.

    2016-01-01

    Most climate and environmental change models predict significant increases in temperature and precipitation by the end of the 21st Century, for which the current functional output of certain symbioses may also be altered. In this context we address the following questions: 1) How the expected changes in abiotic factors (temperature, and water) differentially affect the ecophysiological performance of the plant Colobanthus quitensis? and 2) Will this environmental change indirectly affect C. quitensis photochemical performance and biomass accumulation by modifying its association with fungal endophytes? Plants of C. quitensis from King George Island in the South Shetland archipelago (62°09′ S), and Lagotellerie Island in the Antarctic Peninsula (65°53′ S) were put under simulated abiotic conditions in growth chambers following predictive models of global climate change (GCC). The indirect effect of GCC on the interaction between C. quitensis and fungal endophytes was assessed in a field experiment carried out in the Antarctica, in which we eliminated endophytes under contemporary conditions and applied experimental watering to simulate increased precipitation input. We measured four proxies of plant performance. First, we found that warming (+W) significantly increased plant performance, however its effect tended to be less than watering (+W) and combined warming and watering (+T°+W). Second, the presence of fungal endophytes improved plant performance, and its effect was significantly decreased under experimental watering. Our results indicate that both biotic and abiotic factors affect ecophysiological performance, and the directions of these influences will change with climate change. Our findings provide valuable information that will help to predict future population spread and evolution through using ecological niche models under different climatic scenarios. PMID:27776181

  15. Systematic study of the effects of mass and time scaling techniques applied in numerical rock mechanics simulations

    Science.gov (United States)

    Heinze, Thomas; Jansen, Gunnar; Galvan, Boris; Miller, Stephen A.

    2016-08-01

    Numerical modeling is a well established tool in rock mechanics studies investigating a wide range of problems. Implicit methods for solving linear equations have the advantage of being unconditionally stable, while explicit methods, although limited by the time step, are often used because of their limited memory demand, their scalability in parallel computing, and simple implementation of complex boundary conditions. In numerical modeling of explicit elastoplastic dynamics where the time step is limited by the material density, mass scaling techniques can be used to overcome this limit and significantly reduce computation time. While often used, the effect of mass and time scaling and how it may influence the numerical results is rarely-mentioned in publications, and choosing the right scaling technique is typically performed by trial and error. To our knowledge, no systematic studies have addressed how mass scaling might affect the numerical results. In this paper, we present results from an extensive and systematic study of the influence of mass and time scaling on the behavior of a variety of rock-mechanical models. We employ a finite difference scheme to model uniaxial and biaxial compression experiments using different mass and time scaling factors, and with physical models of increasing complexity up to a cohesion-weakening frictional-strengthening model (CWFS). We also introduce a normalized energy ratio to assist analyzing mass scaling effects. We find the tested models to be less sensitive to time scaling than to mass scaling, so mass scaling has higher potential for decreasing computational costs. However, we also demonstrate that mass scaling may lead to quantitatively wrong results, so care must be taken in interpreting stress values when mass scaling is used in complicated rock mechanics simulations. Mass scaling significantly influences the stress-strain response of numerical rocks because mass scaling acts as an artificial hardening agent on rock

  16. Monte Carlo simulation of the response functions of CdTe detectors to be applied in x-ray spectroscopy.

    Science.gov (United States)

    Tomal, A; Santos, J C; Costa, P R; Lopez Gonzales, A H; Poletti, M E

    2015-06-01

    In this work, the energy response functions of a CdTe detector were obtained by Monte Carlo (MC) simulation in the energy range from 5 to 160keV, using the PENELOPE code. In the response calculations the carrier transport features and the detector resolution were included. The computed energy response function was validated through comparison with experimental results obtained with (241)Am and (152)Eu sources. In order to investigate the influence of the correction by the detector response at diagnostic energy range, x-ray spectra were measured using a CdTe detector (model XR-100T, Amptek), and then corrected by the energy response of the detector using the stripping procedure. Results showed that the CdTe exhibits good energy response at low energies (below 40keV), showing only small distortions on the measured spectra. For energies below about 80keV, the contribution of the escape of Cd- and Te-K x-rays produce significant distortions on the measured x-ray spectra. For higher energies, the most important correction is the detector efficiency and the carrier trapping effects. The results showed that, after correction by the energy response, the measured spectra are in good agreement with those provided by a theoretical model of the literature. Finally, our results showed that the detailed knowledge of the response function and a proper correction procedure are fundamental for achieving more accurate spectra from which quality parameters (i.e., half-value layer and homogeneity coefficient) can be determined.

  17. A Tricky Trait: Applying the Fruits of the "Function Debate" in the Philosophy of Biology to the "Venom Debate" in the Science of Toxinology.

    Science.gov (United States)

    Jackson, Timothy N W; Fry, Bryan G

    2016-09-07

    The "function debate" in the philosophy of biology and the "venom debate" in the science of toxinology are conceptually related. Venom systems are complex multifunctional traits that have evolved independently numerous times throughout the animal kingdom. No single concept of function, amongst those popularly defended, appears adequate to describe these systems in all their evolutionary contexts and extant variations. As such, a pluralistic view of function, previously defended by some philosophers of biology, is most appropriate. Venom systems, like many other functional traits, exist in nature as points on a continuum and the boundaries between "venomous" and "non-venomous" species may not always be clearly defined. This paper includes a brief overview of the concept of function, followed by in-depth discussion of its application to venom systems. A sound understanding of function may aid in moving the venom debate forward. Similarly, consideration of a complex functional trait such as venom may be of interest to philosophers of biology.

  18. Simulation Data as Data Streams

    Energy Technology Data Exchange (ETDEWEB)

    Abdulla, G; Arrighi, W; Critchlow, T

    2003-11-18

    Computational or scientific simulations are increasingly being applied to solve a variety of scientific problems. Domains such as astrophysics, engineering, chemistry, biology, and environmental studies are benefiting from this important capability. Simulations, however, produce enormous amounts of data that need to be analyzed and understood. In this overview paper, we describe scientific simulation data, its characteristics, and the way scientists generate and use the data. We then compare and contrast simulation data to data streams. Finally, we describe our approach to analyzing simulation data, present the AQSim (Ad-hoc Queries for Simulation data) system, and discuss some of the challenges that result from handling this kind of data.

  19. Seasonal assessment of biological indices, bioaccumulation and bioavailability of heavy metals in mussels Mytilus galloprovincialis from Algerian west coast, applied to environmental monitoring

    Directory of Open Access Journals (Sweden)

    Omar Rouane-Hacene

    2015-10-01

    Full Text Available The aim of the present work is to broaden our knowledge on the variability of trace metals in mussel tissues, focusing on seasonal fluctuations in the three different sampling sites of Algerian west coast (Oran Harbor (S1, Ain Defla (S2 and Hadjaj (S3. For this purpose, the bioavailability (metal indices and bioaccumulation (metal concentrations in soft tissues of heavy metals (Zn, Cu, Pb, and Cd, and the physiological characteristics (e.g. biological indices such as condition index (CI of mussels Mytilus galloprovincialis have been assessed and related to seasons and sites. In S1, the highest levels of metal concentrations and indices were obtained in mussels sampled in winter for Zn, Cu and Cd, but in summer for Pb. The biological indices significantly decreased in winter. In S2, the levels of concentrations and indices of all metals varied whatever the seasons, excepting in summer where the values were the lowest. In summer and spring, the biological indices were lower than in autumn and winter. The low growth of organisms in spring and summer might be correlated to the reproductive period and the low trophic level known in S2. S3, considered as a “pristine” area, showed low metal concentrations and indices, and high biological indices, reflecting the favorable physiological conditions for the mussel growth. This approach might be used in the monitoring of the quality of coastal waters and the present work provided a useful data set for Mediterranean monitoring network.

  20. A novel 1D/2D model for simulating conjugate heat transfer applied to flow boiling in tubes with external fins

    Science.gov (United States)

    Ocłoń, Paweł; Łopata, Stanisław; Nowak, Marzena

    2015-04-01

    This study presents a novel, simplified model for the time-efficient simulation of transient conjugate heat transfer in round tubes. The flow domain and the tube wall are modeled in 1D and 2D, respectively and empirical correlations are used to model the flow domain in 1D. The model is particularly useful when dealing with complex physics, such as flow boiling, which is the main focus of this study. The tube wall is assumed to have external fins. The flow is vertical upwards. Note that straightforward computational fluid dynamics (CFD) analysis of conjugate heat transfer in a system of tubes, leads to 3D modeling of fluid and solid domains. Because correlation is used and dimensionality reduced, the model is numerically more stable and computationally more time-efficient compared to the CFD approach. The benefit of the proposed approach is that it can be applied to large systems of tubes as encountered in many practical applications. The modeled equations are discretized in space using the finite volume method, with central differencing for the heat conduction equation in the solid domain, and upwind differencing of the convective term of the enthalpy transport equation in the flow domain. An explicit time discretization with forward differencing was applied to the enthalpy transport equation in the fluid domain. The conduction equation in the solid domain was time discretized using the Crank-Nicholson scheme. The model is applied in different boundary conditions and the predicted boiling patterns and temperature fields are discussed.

  1. Eruca sativa Might Influence the Growth, Survival under Simulated Gastrointestinal Conditions and Some Biological Features of Lactobacillus acidophilus, Lactobacillus plantarum and Lactobacillus rhamnosus Strains

    OpenAIRE

    Florinda Fratianni; Selenia Pepe; Federica Cardinale; Tiziana Granese; Autilia Cozzolino; Raffaele Coppola; Filomena Nazzaro

    2014-01-01

    The growth and viability of three Lactobacillus strains, Lactobacillus acidophilus, Lactobacillus plantarum and Lactobacillus rhamnosus, after their passage through simulated gastric and pancreatic juices were studied as a function of their presence in the growth medium of rocket salad (Eruca sativa). The presence of E. sativa affected some of the biological properties of the strains. For example, L. acidophilus and L. plantarum worked more efficiently in the presence of E. sativa, increasing...

  2. 一种改进的自组织生物群体仿真模型%An Improved Self- organization Biological Swarm Simulation Model

    Institute of Scientific and Technical Information of China (English)

    王楠楠; 于航; 陈婧; 王元刚

    2012-01-01

    在Boid群体仿真规则基础上,增加了3类控制变量:环境变量、种群特征变量和性格变量构建自组织生物群体仿真系统。利用社会学习因子和自学习因子构建了个体的种群靠拢系数、速度匹配系数和自由游弋系数等参数,去除了传统模型中个体一致性假设,更为真实地反映不同生物群体的群体行为。本文在此基础上构建了相应的仿真平台。仿真实验结果表明,可以更好地对生物群体行为仿真进行建模,同时给出了鸟群、鱼群和昆虫群3种典型生物群体仿真的参数集合,同时还分析了不同群体的特征。%On the basis of Boid simulation model, in this paper three types of control variables are increased which are environment variables, population character variables and personality variables to build simulation systems of self - organization biological swarm. Traditional simula- tion model assumes that the individual parameters are identical, but the differences of individual parameters in real biological groups exist objectively. Therefore population closer coefficient, speed matching coefficient and free cruising coefficient and other parameters using social learn- ing factors and self - learning factors are constructed, and the individual consistency assumptions in traditional model are remcved, which reflects the behavior of different groups of biological swarm even more truly. Based on the above the corresponding simulation platform is builded. Simulation results show that the improved model proposed in this paper is better for the modeling of the simulation of biological groups' behaviors, and gives parameter sets of simulation of birds, fish and insects groups of the three typical biological swarms, and at the same time analy- zes the characteristics of different swarm.

  3. The Examination of the Effects of Biological Gender and Gender Identity Roles on Attitude of the Consumers to Advertisements Applied by Accomodation Operations

    Directory of Open Access Journals (Sweden)

    Evren Güçer

    2013-12-01

    Full Text Available In this study, especially focused on the concept of psychological-based gender identity and researched if there is a differentiation characteristic of consumers’ sex and gender identity roles (masculinity, femininity, androgynous and neutral on consumers’ attitude toward advertisements of accomodation establishments.According to the results,there is a general accordance between biological sex and gender identity roles of individuals and alsothe results of the previous studies were made in different areas in the same subject was supported with determination ofit is possible to participants have gender identity roles different from their biological sex to some extent.Otherwise; determination of theadvertisements ofaccomodationestablishments, contain feminine messages, are more preferred by people who have feminine and androgynous identity than the others; and advertisements ofaccomodationestablishments, contain masculinemessages, are preferred by all gender identity roles are ones of the results

  4. Integrated risk assessment for WFD ecological status classification applied to Llobregat river basin (Spain). Part I-Fuzzy approach to aggregate biological indicators.

    Science.gov (United States)

    Gottardo, S; Semenzin, E; Giove, S; Zabeo, A; Critto, A; de Zwart, D; Ginebreda, A; Marcomini, A

    2011-10-15

    Water Framework Directive (WFD) requirements and recommendations for Ecological Status (ES) classification of surface water bodies do not address all issues that Member States have to face in the implementation process, such as selection of appropriate stressor-specific environmental indicators, definition of class boundaries, aggregation of heterogeneous data and information and uncertainty evaluation. In this context the "One-Out, All-Out" (OOAO) principle is the suggested approach to lead the entire classification procedure and ensure conservative results. In order to support water managers in achieving a more comprehensive and realistic evaluation of ES, an Integrated Risk Assessment (IRA) methodology was developed. It is based on the Weight of Evidence approach and implements a Fuzzy Inference System in order to hierarchically aggregate a set of environmental indicators, which are grouped into five Lines of Evidence (i.e. Biology, Chemistry, Ecotoxicology, Physico-chemistry and Hydromorphology). The whole IRA methodology has been implemented as an individual module into a freeware GIS (Geographic Information System)-based Decision Support System (DSS), named MODELKEY DSS. The paper focuses on the conceptual and mathematical procedure underlying the evaluation of the most complex Line of Evidence, i.e. Biology, which identifies the biological communities that are potentially at risk and the stressors that are most likely responsible for the observed alterations. The results obtained from testing the procedure through application of the MODELKEY DSS to the Llobregat case study are reported and discussed.

  5. Is synthetic biology mechanical biology?

    Science.gov (United States)

    Holm, Sune

    2015-12-01

    A widespread and influential characterization of synthetic biology emphasizes that synthetic biology is the application of engineering principles to living systems. Furthermore, there is a strong tendency to express the engineering approach to organisms in terms of what seems to be an ontological claim: organisms are machines. In the paper I investigate the ontological and heuristic significance of the machine analogy in synthetic biology. I argue that the use of the machine analogy and the aim of producing rationally designed organisms does not necessarily imply a commitment to mechanical biology. The ideal of applying engineering principles to biology is best understood as expressing recognition of the machine-unlikeness of natural organisms and the limits of human cognition. The paper suggests an interpretation of the identification of organisms with machines in synthetic biology according to which it expresses a strategy for representing, understanding, and constructing living systems that are more machine-like than natural organisms.

  6. A parameterization for the radio emission of air showers as predicted by CoREAS simulations and applied to LOFAR measurements

    CERN Document Server

    Nelles, Anna; Falcke, Heino; Hörandel, Jörg; Huege, Tim; Schellart, Pim

    2014-01-01

    Measuring radio emission from air showers provides excellent opportunities to directly measure all air shower properties, including the shower development. To exploit this in large-scale experiments, a simple and analytic parameterization of the distribution of the pulse power at ground level is needed. Data taken with the Low-Frequency Array (LOFAR) show a complex two-dimensional pattern of pulse powers, which is sensitive to the shower geometry. Earlier parameterizations of the lateral signal distribution have proven insufficient to describe these data. In this article, we present a parameterization derived from air-shower simulations. We are able to fit the two-dimensional distribution with a double Gaussian, requiring five independent parameters. All parameters show strong correlations with air shower properties, such as the energy of the shower, the arrival direction, and the shower maximum. We successfully apply the parameterization to data taken with LOFAR and discuss implications for air shower experi...

  7. Simulation of the magnetic field generated by wires with stationary current and magnets with constant magnetization applied to the mirror trap, minimum-B and zero-B

    Science.gov (United States)

    Murillo, M. T.; Otero, O.

    2016-02-01

    As a contribution to the computational simulation of magnetic confinement and heating of plasmas ECR (Electron Cyclotron Resonance), this work is dedicated to the calculation and subsequent analysis of the magnetic fields generated by permanent magnets and coils required in magnetic traps between which we can mention the mirror trap, minimum- B and zero-B. To do this, we solved numerically the Biot-Savart law in the case of the coils with stationary current and the Ampere law in the case of the permanent magnets. The study includes the characterization of the ECR areas as well as the display of the vector field all of this applied to the magnetic traps mentioned above. Additionally, in the case of the mirror type trap and minimum-B trap, it is determined the ratio of the mirror, because it is important in the description of confinement.

  8. Applied group theory applications in the engineering (physical, chemical, and medical), biological, social, and behavioral sciences and in the fine arts

    Science.gov (United States)

    Borg, S. F.

    1976-01-01

    A generalized applied group theory is developed, and it is shown that phenomena from a number of diverse disciplines may be included under the umbrella of a single theoretical formulation based upon the concept of a group consistent with the usual definition of this term.

  9. The association of 83 Plasma proteins with CHD mortality, BMI, HDL-, and total cholesterol in men: applying multivariate statistics to identify proteins with prognostic value and biological relevance

    NARCIS (Netherlands)

    Heidema, A.G.; Thissen, U.; Boer, J.M.; Bouwman, F.G.; Feskens, E.J.M.; Mariman, E.C.

    2009-01-01

    In this study, we applied the multivariate statistical tool Partial Least Squares (PLS) to analyze the relative importance of 83 plasma proteins in relation to coronary heart disease (CHD) mortality and the intermediate end points body mass index, HDL-cholesterol and total cholesterol. From a Dutch

  10. Simulation

    DEFF Research Database (Denmark)

    Gould, Derek A; Chalmers, Nicholas; Johnson, Sheena J;

    2012-01-01

    Recognition of the many limitations of traditional apprenticeship training is driving new approaches to learning medical procedural skills. Among simulation technologies and methods available today, computer-based systems are topical and bring the benefits of automated, repeatable, and reliable...... performance assessments. Human factors research is central to simulator model development that is relevant to real-world imaging-guided interventional tasks and to the credentialing programs in which it would be used....

  11. Regional-scale simulations of fungal spore aerosols using an emission parameterization adapted to local measurements of fluorescent biological aerosol particles

    Directory of Open Access Journals (Sweden)

    M. Hummel

    2014-04-01

    Full Text Available Fungal spores as a prominent type of primary biological aerosol particles (PBAP have been incorporated into the COSMO-ART regional atmospheric model, using and comparing three different emission parameterizations. Two literature-based emission rates derived from fungal spore colony counts and chemical tracer measurements were used as a parameterization baseline for this study. A third, new emission parameterization was adapted to field measurements of fluorescent biological aerosol particles (FBAP from four locations across Northern Europe. FBAP concentrations can be regarded as a lower estimate of total PBAP concentrations. Size distributions of FBAP often show a distinct mode at approx. 3 μm, corresponding to a diameter range characteristic for many fungal spores. Previous studies have suggested the majority of FBAP in several locations are dominated by fungal spores. Thus, we suggest that simulated fungal spore concentrations obtained from the emission parameterizations can be compared to the sum of total FBAP concentrations. A comparison reveals that parameterized estimates of fungal spore concentrations based on literature numbers underestimate measured FBAP concentrations. In agreement with measurement data, the model results show a diurnal cycle in simulated fungal spore concentrations, which may develop partially as a consequence of a varying boundary layer height between day and night. Measured FBAP and simulated fungal spore concentrations also correlate similarly with simulated temperature and humidity. These meteorological variables, together with leaf area index, were chosen to drive the new emission parameterization discussed here. Using the new emission parameterization on a model domain covering Western Europe, fungal spores in the lowest model layer comprise a fraction of 15% of the total aerosol mass over land and reach average number concentrations of 26 L−1. The results confirm that fungal spores and biological particles

  12. Particle induced X-ray emission and ion dose distribution in a biological micro-beam: Geant4 Monte Carlo simulations

    Energy Technology Data Exchange (ETDEWEB)

    Ahmad, Syed Bilal, E-mail: ahmadsb@mcmaster.ca [TAB-104D, Medical Physics and Applied Radiation Sciences, McMaster University, Hamilton, Ontario, Canada L8S 4K1 (Canada); Thompson, Jeroen E., E-mail: Jeroen.thompson@gmail.com [Medical Physics and Applied Radiation Sciences, McMaster University, Hamilton, Ontario, Canada L8S 4K1 (Canada); McNeill, Fiona E., E-mail: fmcneill@mcmaster.ca [Medical Physics and Applied Radiation Sciences, McMaster University, Hamilton, Ontario, Canada L8S 4K1 (Canada); Byun, Soo Hyun, E-mail: soohyun@mcmaster.ca [Medical Physics and Applied Radiation Sciences, McMaster University, Hamilton, Ontario, Canada L8S 4K1 (Canada); Prestwich, William V., E-mail: prestwic@mcmaster.ca [Medical Physics and Applied Radiation Sciences, McMaster University, Hamilton, Ontario, Canada L8S 4K1 (Canada)

    2013-01-15

    The goal of a microbeam is to deliver a highly localized and small dose to the biological medium. This can be achieved by using a set of collimators that confine the charged particle beam to a very small spatial area of the order of microns in diameter. By using a system that combines an appropriate beam detection method that signals to a beam shut-down mechanism, a predetermined and counted number of energetic particles can be delivered to targeted biological cells. Since the shutter and the collimators block a significant proportion of the beam, there is a probability of the production of low energy X-rays and secondary electrons through interactions with the beam. There is little information in the biological microbeam literature on potential X-ray production. We therefore used Monte Carlo simulations to investigate the potential production of particle-induced X-rays and secondary electrons in the collimation system (which is predominantly made of tungsten) and the subsequent possible effects on the total absorbed dose delivered to the biological medium. We found, through the simulation, no evidence of the escape of X-rays or secondary electrons from the collimation system for proton energies up to 3 MeV as we found that the thickness of the collimators is sufficient to reabsorb all of the generated low energy X-rays and secondary electrons. However, if the proton energy exceeds 3 MeV our simulations suggest that 10 keV X-rays can escape the collimator and expose the overlying layer of cells and medium. If the proton energy is further increased to 4.5 MeV or beyond, the collimator can become a significant source of 10 keV and 59 keV X-rays. These additional radiation fields could have effects on cells and these results should be verified through experimental measurement. We suggest that researchers using biological microbeams at higher energies need to be aware that cells may be exposed to a mixed LET radiation field and be careful in their interpretation of

  13. Opinion of the Scientific Panel on Biological Hazards on the Evaluation of the efficacy of peroxyacids for use as an antimicrobial substance applied on poultry carcasses

    DEFF Research Database (Denmark)

    Nørrung, Birgit

    The European Commission requested EFSA to evaluate the efficacy of peroxyacids as an antimicrobial substance applied to poultry carcasses. Particularly, the BIOHAZ panel was asked to assess the efficacy of the peroxyacids on the growth and/or prevalence of some microorganisms and pathogens on pou...... and it must not be used as a substitute for normal good hygienic practice. Moreover, the experimental evaluation of the efficacy of peroxyacids must be under conditions comparable to European industrial processing conditions and practices....

  14. Simulated effects of dam removal on water temperatures along the Klamath River, Oregon and California, using 2010 Biological Opinion flow requirements

    Science.gov (United States)

    Risley, John C.; Brewer, Scott J.; Perry, Russell W.

    2012-01-01

    Computer model simulations were run to determine the effects of dam removal on water temperatures along the Klamath River, located in south-central Oregon and northern California, using flow requirements defined in the 2010 Biological Opinion of the National Marine Fisheries Service. A one-dimensional, daily averaged water temperature model (River Basin Model-10) developed by the U.S. Environmental Protection Agency Region 10, Seattle, Washington, was used in the analysis. This model had earlier been configured and calibrated for the Klamath River by the U.S. Geological Survey for the U.S. Department of the Interior, Klamath Secretarial Determination to simulate the effects of dam removal on water temperatures for current (2011) and future climate change scenarios. The analysis for this report was performed outside of the scope of the Klamath Secretarial Determination process at the request of the Bureau of Reclamation Technical Services Office, Denver, Colorado.For this analysis, two dam scenarios were simulated: “dams in” and “dams out.” In the “dams in” scenario, existing dams in the Klamath River were kept in place. In the “dams out” scenario, the river was modeled as a natural stream, without the J.C. Boyle, Copco1, Copco2, and Iron Gate Dams, for the entire simulation period. Output from the two dam scenario simulations included daily water temperatures simulated at 29 locations for a 50-year period along the Klamath River between river mile 253 (downstream of Link River Dam) and the Pacific Ocean. Both simulations used identical flow requirements, formulated in the 2010 Biological Opinion, and identical climate conditions based on the period 1961–2009.Simulated water temperatures from January through June at almost all locations between J.C. Boyle Reservoir and the Pacific Ocean were higher for the “dams out” scenario than for the “dams in” scenario. The simulated mean monthly water temperature increase was highest [1.7–2

  15. ML-Space: Hybrid Spatial Gillespie and Particle Simulation of Multi-level Rule-based Models in Cell Biology.

    Science.gov (United States)

    Bittig, Arne; Uhrmacher, Adelinde

    2016-08-03

    Spatio-temporal dynamics of cellular processes can be simulated at different levels of detail, from (deterministic) partial differential equations via the spatial Stochastic Simulation algorithm to tracking Brownian trajectories of individual particles. We present a spatial simulation approach for multi-level rule-based models, which includes dynamically hierarchically nested cellular compartments and entities. Our approach ML-Space combines discrete compartmental dynamics, stochastic spatial approaches in discrete space, and particles moving in continuous space. The rule-based specification language of ML-Space supports concise and compact descriptions of models and to adapt the spatial resolution of models easily.

  16. Improving Students' Understanding and Perception of Cell Theory in School Biology Using a Computer-Based Instruction Simulation Program

    Science.gov (United States)

    Kiboss, Joel; Wekesa, Eric; Ndirangu, Mwangi

    2006-01-01

    A survey by the Kenya National Examination Council (KNEC) revealed that students' academic performance and interest in secondary school biology has been generally poor. This has been attributed to the current methods of instruction and the lack of instructional resources amenable to the study and proper understanding of such complex areas as cell…

  17. Effectiveness of a Computer-Mediated Simulations Program in School Biology on Pupils' Learning Outcomes in Cell Theory

    Science.gov (United States)

    Kiboss, Joel K.; Ndirangu, Mwangi; Wekesa, Eric W.

    2004-01-01

    Biology knowledge and understanding is important not only for the conversion of the loftiest dreams into reality for a better life of individuals but also for preparing secondary pupils for such fields as agriculture, medicine, biotechnology, and genetic engineering. But a recent study has revealed that many aspects of school science (biology…

  18. Feedback control system simulator for the control of biological cells in microfluidic cross slots and integrated microfluidic systems.

    Science.gov (United States)

    Curtis, Michael D; Sheard, Gregory J; Fouras, Andreas

    2011-07-21

    Control systems for lab on chip devices require careful characterisation and design for optimal performance. Traditionally, this involves either extremely computationally expensive simulations or lengthy iteration of laboratory experiments, prototype design, and manufacture. In this paper, an efficient control simulation technique, valid for typical microchannels, Computed Interpolated Flow Hydrodynamics (CIFH), is described that is over 500 times faster than conventional time integration techniques. CIFH is a hybrid approach, utilising a combination of pre-computed flows and hydrodynamic equations and allows the efficient simulation of dynamic control systems for the transport of cells through micro-fluidic devices. The speed-ups achieved by using pre-computed CFD solutions mapped to an n-dimensional control parameter space, significantly accelerate the evaluation and improvement of control strategies and chip design. Here, control strategies for a naturally unstable device geometry, the microfluidic cross-slot, have been simulated and optimal parameters have been found for proposed devices capable of trapping and sorting cells.

  19. Applying x-ray tomography in the field of vertebrate biology: form, function, and evolution of the skull of caecilians (Lissamphibia: Gymnophiona)

    Science.gov (United States)

    Kleinteich, Thomas; Beckmann, Felix; Herzen, Julia; Summers, Adam P.; Haas, Alexander

    2008-08-01

    Evolutionary research in biology relies on the comparison of different individuals of different species in order to explore the history of today's biodiversity. Synchrotron radiation based high resolution X-ray tomography (SRμCT) rapidly generates detailed three dimensional datasets. At the beamlines W2 and BW2 of the storage ring DORIS at DESY, Hamburg, Germany, we used SRμCT to study the cranial anatomy of different species and different developmental stages of caecilians (Lissamphibia: Gymnophiona). Here we describe a work-flow for analysis of the SRμCT data that covers segmentation of tissues in Amira® (Mercury Computer Systems), photorealistic rendering and animation in MayaTM, rapid prototyping, and morphometrics. The integration of different analyses of SRμCT data in our study resulted in a comprehensive understanding of form, function, and evolution of caecilian skulls. SRμCT imaging has the potential to become a standard technique for life sciences applications in the near future.

  20. Simulation of reaction diffusion processes over biologically relevant size and time scales using multi-GPU workstations.

    Science.gov (United States)

    Hallock, Michael J; Stone, John E; Roberts, Elijah; Fry, Corey; Luthey-Schulten, Zaida

    2014-05-01

    Simulation of in vivo cellular processes with the reaction-diffusion master equation (RDME) is a computationally expensive task. Our previous software enabled simulation of inhomogeneous biochemical systems for small bacteria over long time scales using the MPD-RDME method on a single GPU. Simulations of larger eukaryotic systems exceed the on-board memory capacity of individual GPUs, and long time simulations of modest-sized cells such as yeast are impractical on a single GPU. We present a new multi-GPU parallel implementation of the MPD-RDME method based on a spatial decomposition approach that supports dynamic load balancing for workstations containing GPUs of varying performance and memory capacity. We take advantage of high-performance features of CUDA for peer-to-peer GPU memory transfers and evaluate the performance of our algorithms on state-of-the-art GPU devices. We present parallel e ciency and performance results for simulations using multiple GPUs as system size, particle counts, and number of reactions grow. We also demonstrate multi-GPU performance in simulations of the Min protein system in E. coli. Moreover, our multi-GPU decomposition and load balancing approach can be generalized to other lattice-based problems.

  1. Systems biology as an integrated platform for bioinformatics, systems synthetic biology, and systems metabolic engineering.

    Science.gov (United States)

    Chen, Bor-Sen; Wu, Chia-Chou

    2013-10-11

    Systems biology aims at achieving a system-level understanding of living organisms and applying this knowledge to various fields such as synthetic biology, metabolic engineering, and medicine. System-level understanding of living organisms can be derived from insight into: (i) system structure and the mechanism of biological networks such as gene regulation, protein interactions, signaling, and metabolic pathways; (ii) system dynamics of biological networks, which provides an understanding of stability, robustness, and transduction ability through system identification, and through system analysis methods; (iii) system control methods at different levels of biological networks, which provide an understanding of systematic mechanisms to robustly control system states, minimize malfunctions, and provide potential therapeutic targets in disease treatment; (iv) systematic design methods for the modification and construction of biological networks with desired behaviors, which provide system design principles and system simulations for synthetic biology designs and systems metabolic engineering. This review describes current developments in systems biology, systems synthetic biology, and systems metabolic engineering for engineering and biology researchers. We also discuss challenges and future prospects for systems biology and the concept of systems biology as an integrated platform for bioinformatics, systems synthetic biology, and systems metabolic engineering.

  2. Systems Biology as an Integrated Platform for Bioinformatics, Systems Synthetic Biology, and Systems Metabolic Engineering

    Directory of Open Access Journals (Sweden)

    Bor-Sen Chen

    2013-10-01

    Full Text Available Systems biology aims at achieving a system-level understanding of living organisms and applying this knowledge to various fields such as synthetic biology, metabolic engineering, and medicine. System-level understanding of living organisms can be derived from insight into: (i system structure and the mechanism of biological networks such as gene regulation, protein interactions, signaling, and metabolic pathways; (ii system dynamics of biological networks, which provides an understanding of stability, robustness, and transduction ability through system identification, and through system analysis methods; (iii system control methods at different levels of biological networks, which provide an understanding of systematic mechanisms to robustly control system states, minimize malfunctions, and provide potential therapeutic targets in disease treatment; (iv systematic design methods for the modification and construction of biological networks with desired behaviors, which provide system design principles and system simulations for synthetic biology designs and systems metabolic engineering. This review describes current developments in systems biology, systems synthetic biology, and systems metabolic engineering for engineering and biology researchers. We also discuss challenges and future prospects for systems biology and the concept of systems biology as an integrated platform for bioinformatics, systems synthetic biology, and systems metabolic engineering.

  3. The first success of glass eel production in the world: basic biology on fish reproduction advances new applied technology in aquaculture.

    Science.gov (United States)

    Kagawa, Hirohiko; Tanaka, Hideki; Ohta, Hiromi; Unuma, Tatsuya; Nomura, Kazuharu

    2005-04-01

    The eel has long been esteemed as an important food fish in the world, especially in Japan, and has been used as an experimental fish for many fields of fish physiology. However, the decreases in eel resources have been a serious concern in recent years. The catches of glass eels as seedlings for aquaculture have shown a long-term decrease in both Europe and East Asia. To increase eel resources, the development of techniques for artificial induction of maturation and spawning and rearing their larvae have been eagerly desired. Recent progress of reproductive physiology of fish, especially mechanisms of oocyte maturation and ovulation in female and of spermatozoa maturation in male, facilitate to establish techniques for hormonal induction of maturation and spawning in sexually immature eels. With persistent effort to development of rearing techniques of larvae, we have first succeeded to produce glass eel. These applied techniques are may contribute to understand the basic reproductive physiology of the eel.

  4. Approaches to the dimensioning of enhanced biological phosphorus elimination systems, taking dynamic simulation into account; Bemessungshinweise zur vermehrten biologischen Phosphorelimination unter Beruecksichtigung der dynamischen Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Scheer, H.

    1997-12-31

    With so many projects either planned or under construction, the question of the dimensioning of sewage treatment plants with enhanced biological phosphorus elimination (BIO-P) is becoming more and more important. A detailed search of literature established in how far dimensioning approaches or models were already available in the spring of 1994. These modelling approaches were critically examined and compared as to their practical applicability by means of parameter and sensitivity studies. For this purpose, they were programmed and the relevance of certain dimensioning parameters to biological phosphorus elimination was studied by means of a pilot plant. (orig./SR) [Deutsch] Der Auslegung von Klaeranlagen mit vermehrter biologischer Phosphorelimination (BIO-P) kommt bei der Vielzahl von Planungs- und Baumassnahmen eine immer wichtigere Bedeutung zu. Inwieweit fuer die Bemessung von Klaeranlagen mit BIO-P im Fruehjahr 1994 bereits auf vorhandene Bemessungsansaetze und -modelle zurueckgegriffen werden konnte, wurde mittels einer detaillierten Literaturstudie, untersucht. Diese Modellansaetze wurden im Hinblick auf ihre praxisorietierte Anwendbarkeit durch Parameter- und Sensitivitaetsstudien kritisch untersucht und verglichen. Hierzu wurden die verschiedenen, zum damaligen Zeitpunkt vorhandenen Ansaetze programmiert und die Auswirkungen wichtiger bemessungsrelevanter Parameter auf die BIO-P anhand einer Modellklaeranlage abgeschaetzt. (orig./SR)

  5. Biological control of cotton aphid (Aphis gossypii Glover) in cotton (inter)cropping systems in China; a simulation study.

    OpenAIRE

    Xia, J

    1997-01-01

    Cotton aphid ( Aphis gossypii Glover) is the key insect pest of seedling cotton ( Gossypium hirsutum L. ) in China, particularly in the North China cotton region. The resulting annual losses amount to 10-15% of the attainable yield. Sole reliance on insecticides against the cotton aphid in the past four decades has brought about a rapid development of insecticide resistance, serious outbreaks of key pests, resurgence of secondary pests, and risk for man and environment. Biological control of ...

  6. Ho{sup 3+} carbon paste sensor based on multi-walled carbon nanotubes: Applied for determination of holmium content in biological and environmental samples

    Energy Technology Data Exchange (ETDEWEB)

    Faridbod, Farnoush [Center of Excellence in Electrochemistry, Faculty of Chemistry, University of Tehran, Tehran (Iran, Islamic Republic of); Endocrinology and Metabolism Research Center, Tehran University of Medical Sciences, Tehran (Iran, Islamic Republic of); Ganjali, Mohammad Reza, E-mail: ganjali@khayam.ut.ac.ir [Center of Excellence in Electrochemistry, Faculty of Chemistry, University of Tehran, Tehran (Iran, Islamic Republic of); Endocrinology and Metabolism Research Center, Tehran University of Medical Sciences, Tehran (Iran, Islamic Republic of); Larijani, Bagher [Endocrinology and Metabolism Research Center, Tehran University of Medical Sciences, Tehran (Iran, Islamic Republic of); Hosseini, Morteza [Department of Chemistry, Islamic Azad University, Savadkooh Branch, Savadkooh (Iran, Islamic Republic of); Norouzi, Parviz [Endocrinology and Metabolism Research Center, Tehran University of Medical Sciences, Tehran (Iran, Islamic Republic of); Center of Excellence in Electrochemistry, Faculty of Chemistry, University of Tehran, Tehran (Iran, Islamic Republic of)

    2010-05-10

    For the first time a novel multi-walled carbon nanotubes (MWCNTs) modified Ho{sup 3+} carbon paste sensor is introduced. The electrode with a composition containing 20% paraffin oil, 60% graphite powder, 15% N-(1-thia-2-ylmethylene)-1,3-benzothiazole-2-amine (TBA) as an ionophore, and 5% MWCNTs, exhibits a stable potential response to Ho{sup 3+} ions with a nice Nernstian behavior (19.3 {+-} 0.3 mV decade{sup -1}) in a wide dynamic linear concentration range of Ho{sup 3+} ions (1 x 10{sup -8}-1.0 x 10{sup -2} M). In the absence of MWCNTs, sensitivity of the Ho{sup 3+} sensor was relatively poor. The proposed modified Ho{sup 3+} sensor shows very low detection limit (7.0 x 10{sup -9} M) and a fast response time (13 s). It has a long life time (more than 2 months) and its response is independent of pH in the range of 3.8-7.5. In term of selectivity, Ho{sup 3+} sensor has a good selectivity over all lanthanide members and common alkali and alkaline earth metal ions. The Ho{sup 3+} sensor was applied for the determination of Ho{sup 3+} ion concentration in water, holmium alloys and synthetic human serum.

  7. Computational Systems Chemical Biology

    OpenAIRE

    Oprea, Tudor I.; Elebeoba E. May; Leitão, Andrei; Tropsha, Alexander

    2011-01-01

    There is a critical need for improving the level of chemistry awareness in systems biology. The data and information related to modulation of genes and proteins by small molecules continue to accumulate at the same time as simulation tools in systems biology and whole body physiologically-based pharmacokinetics (PBPK) continue to evolve. We called this emerging area at the interface between chemical biology and systems biology systems chemical biology, SCB (Oprea et al., 2007).

  8. Bayes in biological anthropology.

    Science.gov (United States)

    Konigsberg, Lyle W; Frankenberg, Susan R

    2013-12-01

    In this article, we both contend and illustrate that biological anthropologists, particularly in the Americas, often think like Bayesians but act like frequentists when it comes to analyzing a wide variety of data. In other words, while our research goals and perspectives are rooted in probabilistic thinking and rest on prior knowledge, we often proceed to use statistical hypothesis tests and confidence interval methods unrelated (or tenuously related) to the research questions of interest. We advocate for applying Bayesian analyses to a number of different bioanthropological questions, especially since many of the programming and computational challenges to doing so have been overcome in the past two decades. To facilitate such applications, this article explains Bayesian principles and concepts, and provides concrete examples of Bayesian computer simulations and statistics that address questions relevant to biological anthropology, focusing particularly on bioarchaeology and forensic anthropology. It also simultaneously reviews the use of Bayesian methods and inference within the discipline to date. This article is intended to act as primer to Bayesian methods and inference in biological anthropology, explaining the relationships of various methods to likelihoods or probabilities and to classical statistical models. Our contention is not that traditional frequentist statistics should be rejected outright, but that there are many situations where biological anthropology is better served by taking a Bayesian approach. To this end it is hoped that the examples provided in this article will assist researchers in choosing from among the broad array of statistical methods currently available.

  9. Determining DfT Hardware by VHDL-AMS Fault Simulation for Biological Micro-Electronic Fluidic Arrays

    NARCIS (Netherlands)

    Kerkhoff, H.G.; Zhang, X.; Liu, H.; Richardson, A.; Nouet, P.; Azais, F.

    2005-01-01

    The interest of microelectronic fluidic arrays for biomedical applications, like DNA determination, is rapidly increasing. In order to evaluate these systems in terms of required Design-for-Test structures, fault simulations in both fluidic and electronic domains are necessary. VHDL-AMS can be used

  10. Virtual Electrode Recording Tool for EXtracellular potentials (VERTEX): comparing multi-electrode recordings from simulated and biological mammalian cortical tissue.

    Science.gov (United States)

    Tomsett, Richard J; Ainsworth, Matt; Thiele, Alexander; Sanayei, Mehdi; Chen, Xing; Gieselmann, Marc A; Whittington, Miles A; Cunningham, Mark O; Kaiser, Marcus

    2015-07-01

    Local field potentials (LFPs) sampled with extracellular electrodes are frequently used as a measure of population neuronal activity. However, relating such measurements to underlying neuronal behaviour and connectivity is non-trivial. To help study this link, we developed the Virtual Electrode Recording Tool for EXtracellular potentials (VERTEX). We first identified a reduced neuron model that retained the spatial and frequency filtering characteristics of extracellular potentials from neocortical neurons. We then developed VERTEX as an easy-to-use Matlab tool for simulating LFPs from large populations (>100,000 neurons). A VERTEX-based simulation successfully reproduced features of the LFPs from an in vitro multi-electrode array recording of macaque neocortical tissue. Our model, with virtual electrodes placed anywhere in 3D, allows direct comparisons with the in vitro recording setup. We envisage that VERTEX will stimulate experimentalists, clinicians, and computational neuroscientists to use models to understand the mechanisms underlying measured brain dynamics in health and disease.

  11. Catabolite regulation analysis of Escherichia coli for acetate overflow mechanism and co-consumption of multiple sugars based on systems biology approach using computer simulation.

    Science.gov (United States)

    Matsuoka, Yu; Shimizu, Kazuyuki

    2013-10-20

    It is quite important to understand the basic principle embedded in the main metabolism for the interpretation of the fermentation data. For this, it may be useful to understand the regulation mechanism based on systems biology approach. In the present study, we considered the perturbation analysis together with computer simulation based on the models which include the effects of global regulators on the pathway activation for the main metabolism of Escherichia coli. Main focus is the acetate overflow metabolism and the co-fermentation of multiple carbon sources. The perturbation analysis was first made to understand the nature of the feed-forward loop formed by the activation of Pyk by FDP (F1,6BP), and the feed-back loop formed by the inhibition of Pfk by PEP in the glycolysis. Those together with the effect of transcription factor Cra caused by FDP level affected the glycolysis activity. The PTS (phosphotransferase system) acts as the feed-back system by repressing the glucose uptake rate for the increase in the glucose uptake rate. It was also shown that the increased PTS flux (or glucose consumption rate) causes PEP/PYR ratio to be decreased, and EIIA-P, Cya, cAMP-Crp decreased, where cAMP-Crp in turn repressed TCA cycle and more acetate is formed. This was further verified by the detailed computer simulation. In the case of multiple carbon sources such as glucose and xylose, it was shown that the sequential utilization of carbon sources was observed for wild type, while the co-consumption of multiple carbon sources with slow consumption rates were observed for the ptsG mutant by computer simulation, and this was verified by experiments. Moreover, the effect of a specific gene knockout such as Δpyk on the metabolic characteristics was also investigated based on the computer simulation.

  12. The Use of Multiscale Molecular Simulations in Understanding a Relationship between the Structure and Function of Biological Systems of the Brain: The Application to Monoamine Oxidase Enzymes.

    Science.gov (United States)

    Vianello, Robert; Domene, Carmen; Mavri, Janez

    2016-01-01

    HIGHLIGHTS Computational techniques provide accurate descriptions of the structure and dynamics of biological systems, contributing to their understanding at an atomic level.Classical MD simulations are a precious computational tool for the processes where no chemical reactions take place.QM calculations provide valuable information about the enzyme activity, being able to distinguish among several mechanistic pathways, provided a carefully selected cluster model of the enzyme is considered.Multiscale QM/MM simulation is the method of choice for the computational treatment of enzyme reactions offering quantitative agreement with experimentally determined reaction parameters.Molecular simulation provide insight into the mechanism of both the catalytic activity and inhibition of monoamine oxidases, thus aiding in the rational design of their inhibitors that are all employed and antidepressants and antiparkinsonian drugs. Aging society and therewith associated neurodegenerative and neuropsychiatric diseases, including depression, Alzheimer's disease, obsessive disorders, and Parkinson's disease, urgently require novel drug candidates. Targets include monoamine oxidases A and B (MAOs), acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and various receptors and transporters. For rational drug design it is particularly important to combine experimental synthetic, kinetic, toxicological, and pharmacological information with structural and computational work. This paper describes the application of various modern computational biochemistry methods in order to improve the understanding of a relationship between the structure and function of large biological systems including ion channels, transporters, receptors, and metabolic enzymes. The methods covered stem from classical molecular dynamics simulations to understand the physical basis and the time evolution of the structures, to combined QM, and QM/MM approaches to probe the chemical mechanisms of enzymatic

  13. 海流发电用翼型的水动力学模拟%Hydrodynamic Simulation of Hydrofoil Marine Current Turbine Applies

    Institute of Scientific and Technical Information of China (English)

    张玉良; 朱祖超; 崔宝玲; 李昳; 金英子

    2011-01-01

    With the aggravation of energy crisis in world, the energy of ocean current is greatly focused. At present, the most important application is the use of marine current turbine, the performance of which depends on the hydrodynamic performance of hydrofoil mostly. In order to study the influence of ocean current's parameters on hydrodynamic performance of hydrofoil, according to the characteristic of random fluctuation in ocean current, angle of attack, Reynolds Number and turbulence intensity are selected as three factors of orthogonal experiment in this paper, and every factor selects four influence levels to carry out a L16 (43) orthogonal experiment. The hydrodynamic performance of hydrofoil NACA63440 that marine current turbine often applies is numerically simulated under steady flow condition for sixteen schemes, and the influence laws of ocean current's parameters on hydrodynamic performance of hydrofoil are analyzed in detail. The results of numerical simulation show that the influence of turbulence intensity on hydrodynamic performance of hydrofoil is maximal, the angle of attack is next, while Reynolds Number is minimal. The influence of turbulence intensity and angle of attack on lift coefficient and drag coefficient of hydrofoil is more evident. Increasing angle of attack can improve effectively lift-drag ratio, but it has a extremum. If angle of attack exceeds the critical value, the hydrofoil will appear stalling phenomenon. Increasing Reynolds Number can improve moderately lift-drag ratio. The forebody of hydrofoil is the main region that generates lift, and the top region of forebody is most vulnerable to cavitation. Above research conclusions will provide significant referrence for more hydrodynamic performance research of hydrofoil.%为研究海流各个流动参数同时对水翼水动力学性能的影响,根据海流随机波动特点,选取海流的攻角、雷诺数和湍流强度3个因素,每个因素选取4个水平,进行了L16(43)

  14. Monte Carlo simulation applied to order economic analysis Simulação de Monte Carlo aplicada à análise econômica de pedido

    Directory of Open Access Journals (Sweden)

    Abraão Freires Saraiva Júnior

    2011-03-01

    Full Text Available The use of mathematical and statistical methods can help managers to deal with decision-making difficulties in the business environment. Some of these decisions are related to productive capacity optimization in order to obtain greater economic gains for the company. Within this perspective, this study aims to present the establishment of metrics to support economic decisions related to process or not orders in a company whose products have great variability in variable direct costs per unit that generates accounting uncertainties. To achieve this objective, is proposed a five-step method built from the integration of Management Accounting and Operations Research techniques, emphasizing the Monte Carlo simulation. The method is applied from a didactic example which uses real data achieved through a field research carried out in a plastic products industry that employ recycled material. Finally, it is concluded that the Monte Carlo simulation is effective for treating variable direct costs per unit variability and that the proposed method is useful to support decision-making related to order acceptance.A utilização de métodos matemáticos e estatísticos pode auxiliar gestores a lidar com dificuldades do processo de tomada de decisão no ambiente de negócios. Algumas dessas decisões estão relacionadas à otimização da utilização da capacidade produtiva visando a obtenção de melhores resultados econômicos para a empresa. Dentro dessa perspectiva, o presente trabalho objetiva apresentar o estabelecimento de métricas que deem suporte à decisão econômica de atender ou não a pedidos em uma empresa cujos produtos têm grande variabilidade de custos variáveis diretos unitários que gera incertezas contábeis. Para cumprir esse objetivo, é proposto um método em cinco etapas, construído a partir da integração de técnicas provindas da contabilidade gerencial e da pesquisa operacional, com destaque à simulação de Monte Carlo. O m

  15. Eruca sativa Might Influence the Growth, Survival under Simulated Gastrointestinal Conditions and Some Biological Features of Lactobacillus acidophilus, Lactobacillus plantarum and Lactobacillus rhamnosus Strains

    Directory of Open Access Journals (Sweden)

    Florinda Fratianni

    2014-10-01

    Full Text Available The growth and viability of three Lactobacillus strains, Lactobacillus acidophilus, Lactobacillus plantarum and Lactobacillus rhamnosus, after their passage through simulated gastric and pancreatic juices were studied as a function of their presence in the growth medium of rocket salad (Eruca sativa. The presence of E. sativa affected some of the biological properties of the strains. For example, L. acidophilus and L. plantarum worked more efficiently in the presence of E. sativa, increasing not only the antioxidant activity of the medium, but also their own antioxidant power and antimicrobial activity; L. rhamnosus was not affected in the same manner. Overall, the presence of vegetables might help to boost, in specific cases, some of the characteristics of lactobacilli, including antioxidant and antimicrobial power.

  16. Eruca sativa might influence the growth, survival under simulated gastrointestinal conditions and some biological features of Lactobacillus acidophilus, Lactobacillus plantarum and Lactobacillus rhamnosus strains.

    Science.gov (United States)

    Fratianni, Florinda; Pepe, Selenia; Cardinale, Federica; Granese, Tiziana; Cozzolino, Autilia; Coppola, Raffaele; Nazzaro, Filomena

    2014-10-01

    The growth and viability of three Lactobacillus strains, Lactobacillus acidophilus, Lactobacillus plantarum and Lactobacillus rhamnosus, after their passage through simulated gastric and pancreatic juices were studied as a function of their presence in the growth medium of rocket salad (Eruca sativa). The presence of E. sativa affected some of the biological properties of the strains. For example, L. acidophilus and L. plantarum worked more efficiently in the presence of E. sativa, increasing not only the antioxidant activity of the medium, but also their own antioxidant power and antimicrobial activity; L. rhamnosus was not affected in the same manner. Overall, the presence of vegetables might help to boost, in specific cases, some of the characteristics of lactobacilli, including antioxidant and antimicrobial power.

  17. New Methods of Simulation of Mn(II) EPR Spectra: Single Crystals, Polycrystalline and Amorphous (Biological) Materials

    Science.gov (United States)

    Misra, Sushil K.

    Biological systems exhibit properties of amorphous materials. The Mn(II) ion in amorphous materials is characterized by distributions of spin-Hamiltonian parameters around mean values. It has a certain advantage over other ions, being one of the most abundant elements on the earth. The extent to which living organisms utilize manganese varies from one organism to the other. There is a fairly high concentration of the Mn(II) ion in green plants, which use it in the O2 evolution reaction of photosynthesis (Sauer, 1980). Structure-reactivity relationships in Mn(II)-O2 complexes are given in a review article by Coleman and Taylor (1980). Manganese is a trace requirement in animal nutrition; highly elevated levels of manganese in the diet can be toxic, probably because of an interference with iron homeostasis (Underwood, 1971). On the other hand, animals raised with a dietary deficiency of manganese exhibit severe abnormalities in connective tissue; these problems have been attributed to the obligatory role of Mn(II) in mucopolysaccharide metabolism (Leach, 1971). Mn(II) has been detected unequivocally in living organisms.

  18. Simulation and cost analysis of systems for handling of fuel straw - applied to a heating plant in Skaane; Simulering och kostnadsanalys av hanteringssystem foer braenslehalm - tillaempning foer en vaermeanlaeggning i Skaane

    Energy Technology Data Exchange (ETDEWEB)

    Nilsson, Daniel

    2010-05-15

    SEK/MWh for an equivalent harvest system with storage in machine sheds (0% storage losses, 60% of the construction costs assigned to the straw, the rest for other uses). - Increasing the bale weight from 530 kg to 700 kg (with unchanged dimensions of 1.2 m x 1.3 m x 2.4 m) produced cost savings of 15%. Having bales with an unchanged weight of 530 kg, but with a height of 1.0 m so that three bales could be stacked on top of one another during transport, resulted in similar cost savings. - In-depth studies are needed regarding the capacity of modern harvest and handling machines, stoppage frequency, etc. (i.e. time studies), the impact of various weather parameters on straw quality, the costs and storage losses for different storage methods, etc. - Dynamic event simulation is a useful method for analysing complex logistics systems where weather, plant biology, geography, soil characteristics, etc. have a major impact on the outcome

  19. The accurate calculation of the band gap of liquid water by means of GW corrections applied to plane-wave density functional theory molecular dynamics simulations

    NARCIS (Netherlands)

    Fang, Changming; Li, Wun Fan; Koster, Rik S.; Klimeš, Jiří; Van Blaaderen, Alfons; Van Huis, Marijn A.

    2015-01-01

    Knowledge about the intrinsic electronic properties of water is imperative for understanding the behaviour of aqueous solutions that are used throughout biology, chemistry, physics, and industry. The calculation of the electronic band gap of liquids is challenging, because the most accurate ab initi

  20. Translational environmental biology: cell biology informing conservation.

    Science.gov (United States)

    Traylor-Knowles, Nikki; Palumbi, Stephen R

    2014-05-01

    Typically, findings from cell biology have been beneficial for preventing human disease. However, translational applications from cell biology can also be applied to conservation efforts, such as protecting coral reefs. Recent efforts to understand the cell biological mechanisms maintaining coral health such as innate immunity and acclimatization have prompted new developments in conservation. Similar to biomedicine, we urge that future efforts should focus on better frameworks for biomarker development to protect coral reefs.

  1. Status of (137)Cs contamination in marine biota along the Pacific coast of eastern Japan derived from a dynamic biological model two years simulation following the Fukushima accident.

    Science.gov (United States)

    Tateda, Yutaka; Tsumune, Daisuke; Tsubono, Takaki; Misumi, Kazuhiro; Yamada, Masatoshi; Kanda, Jota; Ishimaru, Takashi

    2016-01-01

    Radiocesium ((134)Cs and (137)Cs) released into the Fukushima coastal environment was transferred to marine biota inhabiting the Pacific Ocean coastal waters of eastern Japan. Though the levels in most of the edible marine species decreased overtime, radiocesium concentrations in some fishes were still remained higher than the Japanese regulatory limit for seafood products. In this study, a dynamic food chain transfer model was applied to reconstruct (137)Cs levels in olive flounder by adopting the radiocesium concentrations in small demersal fish which constitute an important fraction of the diet of the olive flounder particularly inhabiting area near Fukushima. In addition, (137)Cs levels in slime flounder were also simulated using reported radiocesium concentrations in some prey organisms. The simulated results from Onahama on the southern border of the Fukushima coastline, and at Choshi the southernmost point where the contaminated water mass was transported by the Oyashio current, were assessed in order to identify what can be explained from present information, and what remains to be clarified three years after the Fukushima Dai-ichi nuclear power plant (1FNPP) accident. As a result, the observed (137)Cs concentrations in planktivorous fish and their predator fish could be explained by the theoretically-derived simulated levels. On the other hand, the slow (137)Cs depuration in slime flounder can be attributed to uptake from unknown sources for which the uptake fluxes were of a similar magnitude as the excretion fluxes. Since the reported (137)Cs concentrations in benthic invertebrates off Onahama were higher than the simulated values, radiocesium transfer from these benthic detritivorous invertebrates to slime flounder via ingestion was suggested as a cause for the observed slow depuration of (137)Cs in demersal fish off southern Fukushima. Furthermore, the slower depuration in the demersal fish likely required an additional source of (137)Cs, i

  2. Theoretical approach to biological aging

    CERN Document Server

    D'Almeida, R M C; Penna, T J P

    1997-01-01

    We present a model for biological aging that considers the number of individuals whose (inherited) genetic charge determines the maximum age for death: each individual may die before that age due to some external factor, but never after that limit. The genetic charge of the offspring is inherited from the parent with some mutations, described by a transition matrix. The model can describe different strategies of reproduction and it is exactly soluble. We applied our method to the bit-string model for aging and the results are in perfect agreement with numerical simulations.

  3. Theoretical approach to biological aging

    Science.gov (United States)

    Almeida, R. M. C. de; Oliveira, S. Moss de; Penna, T. J. P.

    We present a model for biological aging that considers the number of individuals whose (inherited) genotype determines the maximum age for death: each individual may die before that age due to some external factor, but never after that limit. The genotype of the offspring is inherited from the parent with some mutations, described by a transition matrix. The model can describe different strategies of reproduction and it is exactly soluble. We applied our method to the bit-string model for aging and the results are in perfect agreement with numerical simulations.

  4. Metoder for Modellering, Simulering og Regulering af Større Termiske Processer anvendt i Sukkerproduktion. Methods for Modelling, Simulation and Control of Large Scale Thermal Systems Applied in Sugar Production

    DEFF Research Database (Denmark)

    Nielsen, Kirsten Mølgaard; Nielsen, Jens Frederik Dalsgaard

    simulator has been developed. The simulator handles the normal working conditions relevant to control engineers. A non-linear dynamic model based on mass and energy balances has been developed. The model parameters have been adjusted to data measured on a Danish sugar plant. The simulator consists...... retrenchment. A realtime simulator for a crystallization process in a sugar plant has been developed. The sections of the actual processes are internally modelled as separate modules according to the system apparatus. All components are modelled by ordinary differential equations and algebraic equations based...

  5. PSPs and ERPs: applying the dynamics of post-synaptic potentials to individual units in simulation of temporally extended Event-Related Potential reading data.

    Science.gov (United States)

    Laszlo, Sarah; Armstrong, Blair C

    2014-05-01

    The Parallel Distributed Processing (PDP) framework is built on neural-style computation, and is thus well-suited for simulating the neural implementation of cognition. However, relatively little cognitive modeling work has concerned neural measures, instead focusing on behavior. Here, we extend a PDP model of reading-related components in the Event-Related Potential (ERP) to simulation of the N400 repetition effect. We accomplish this by incorporating the dynamics of cortical post-synaptic potentials--the source of the ERP signal--into the model. Simulations demonstrate that application of these dynamics is critical for model elicitation of repetition effects in the time and frequency domains. We conclude that by advancing a neurocomputational understanding of repetition effects, we are able to posit an interpretation of their source that is both explicitly specified and mechanistically different from the well-accepted cognitive one.

  6. Numerical analysis of applied magnetic field dependence in Malmberg-Penning Trap for compact simulator of energy driver in heavy ion fusion

    Science.gov (United States)

    Sato, T.; Park, Y.; Soga, Y.; Takahashi, K.; Sasaki, T.; Kikuchi, T.; Harada, Nob

    2016-05-01

    To simulate a pulse compression process of space charge dominated beams in heavy ion fusion, we have demonstrated a multi-particle numerical simulation as an equivalent beam using the Malmberg-Penning trap device. The results show that both transverse and longitudinal velocities as a function of external magnetic field strength are increasing during the longitudinal compression. The influence of space-charge effect, which is related to the external magnetic field, was observed as the increase of high velocity particles at the weak external magnetic field.

  7. (Biological dosimetry)

    Energy Technology Data Exchange (ETDEWEB)

    Preston, R.J.

    1990-12-17

    The traveler attended the 1st International Conference on Biological Dosimetry in Madrid, Spain. This conference was organized to provide information to a general audience of biologists, physicists, radiotherapists, industrial hygiene personnel and individuals from related fields on the current ability of cytogenetic analysis to provide estimates of radiation dose in cases of occupational or environmental exposure. There is a growing interest in Spain in biological dosimetry because of the increased use of radiation sources for medical and occupational uses, and with this the anticipated and actual increase in numbers of overexposure. The traveler delivered the introductory lecture on Biological Dosimetry: Mechanistic Concepts'' that was intended to provide a framework by which the more applied lectures could be interpreted in a mechanistic way. A second component of the trip was to provide advice with regard to several recent cases of overexposure that had been or were being assessed by the Radiopathology and Radiotherapy Department of the Hospital General Gregorio Maranon'' in Madrid. The traveler had provided information on several of these, and had analyzed cells from some exposed or purportedly exposed individuals. The members of the biological dosimetry group were referred to individuals at REACTS at Oak Ridge Associated Universities for advice on follow-up treatment.

  8. Applied superconductivity

    CERN Document Server

    Newhouse, Vernon L

    1975-01-01

    Applied Superconductivity, Volume II, is part of a two-volume series on applied superconductivity. The first volume dealt with electronic applications and radiation detection, and contains a chapter on liquid helium refrigeration. The present volume discusses magnets, electromechanical applications, accelerators, and microwave and rf devices. The book opens with a chapter on high-field superconducting magnets, covering applications and magnet design. Subsequent chapters discuss superconductive machinery such as superconductive bearings and motors; rf superconducting devices; and future prospec

  9. Classical mechanics approach applied to analysis of genetic oscillators.

    Science.gov (United States)

    Vasylchenkova, Anastasiia; Mraz, Miha; Zimic, Nikolaj; Moskon, Miha

    2016-04-05

    Biological oscillators present a fundamental part of several regulatory mechanisms that control the response of various biological systems. Several analytical approaches for their analysis have been reported recently. They are, however, limited to only specific oscillator topologies and/or to giving only qualitative answers, i.e., is the dynamics of an oscillator given the parameter space oscillatory or not. Here we present a general analytical approach that can be applied to the analysis of biological oscillators. It relies on the projection of biological systems to classical mechanics systems. The approach is able to provide us with relatively accurate results in the meaning of type of behaviour system reflects (i.e. oscillatory or not) and periods of potential oscillations without the necessity to conduct expensive numerical simulations. We demonstrate and verify the proposed approach on three different implementations of amplified negative feedback oscillator.

  10. Stochastic Engine Final Report: Applying Markov Chain Monte Carlo Methods with Importance Sampling to Large-Scale Data-Driven Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Glaser, R E; Johannesson, G; Sengupta, S; Kosovic, B; Carle, S; Franz, G A; Aines, R D; Nitao, J J; Hanley, W G; Ramirez, A L; Newmark, R L; Johnson, V M; Dyer, K M; Henderson, K A; Sugiyama, G A; Hickling, T L; Pasyanos, M E; Jones, D A; Grimm, R J; Levine, R A

    2004-03-11

    Accurate prediction of complex phenomena can be greatly enhanced through the use of data and observations to update simulations. The ability to create these data-driven simulations is limited by error and uncertainty in both the data and the simulation. The stochastic engine project addressed this problem through the development and application of a family of Markov Chain Monte Carlo methods utilizing importance sampling driven by forward simulators to minimize time spent search very large state spaces. The stochastic engine rapidly chooses among a very large number of hypothesized states and selects those that are consistent (within error) with all the information at hand. Predicted measurements from the simulator are used to estimate the likelihood of actual measurements, which in turn reduces the uncertainty in the original sample space via a conditional probability method called Bayesian inferencing. This highly efficient, staged Metropolis-type search algorithm allows us to address extremely complex problems and opens the door to solving many data-driven, nonlinear, multidimensional problems. A key challenge has been developing representation methods that integrate the local details of real data with the global physics of the simulations, enabling supercomputers to efficiently solve the problem. Development focused on large-scale problems, and on examining the mathematical robustness of the approach in diverse applications. Multiple data types were combined with large-scale simulations to evaluate systems with {approx}{sup 10}20,000 possible states (detecting underground leaks at the Hanford waste tanks). The probable uses of chemical process facilities were assessed using an evidence-tree representation and in-process updating. Other applications included contaminant flow paths at the Savannah River Site, locating structural flaws in buildings, improving models for seismic travel times systems used to monitor nuclear proliferation, characterizing the source

  11. 基于SimBiology洋葱伯克霍尔德菌CF-66发酵过程的模拟%Simulation of Burkholderia cepacia CF-66 fermentation process using SimBiology

    Institute of Scientific and Technical Information of China (English)

    刘俏; 权春善; 范圣第

    2011-01-01

    The overuse of chemical pesticides has caused serious environmental problems, thus the demand for safer microbial pesticides is increasing. Burkholderia cepacia CF-66 (B. Cepacia CF-66) isolated from compost samples in our lab has ability to suppress a range of pathogens on several important crop plants, produce a novel antibiotic with broad spectrum of antifungal activity. The purified antibiotic has the potential of being applied in biopesticide. Batch cultivation (BC) in a 3.70 L fennentor were carried out to test fermentability of using B. Cepacia CF-66. A mathematical model of BC based on experimentally matched rate equations for B. Cepacia CF-66 fermentation was developed in Matlab SimBiology. Using SimBiology graphical user interface, the fermentation parameters were estimated and the model were simulated through modified Monod and Gaden equations with the aim of predicting changes in the concentration levels of the biomass, substrate and metabolic product The model predictions and experimental observations agree reasonably well for the fermentation process. The estimated parameters μmax(the maximal specific growth rate of the biomass), Yz/s (yield coefficient of biomass to substrate) and β (production rate equation coefficient) are (0.3220±0.0075) h-1, (0.0278±0.0072) and (0.1244±0.0025) h-1, respectively. The approach of using SimBiology as a dynamic visual model for BC represents a simple method which can be applied to a variety of biological pathways.%过度使用化学农药所引起的一系列环境问题,使人们对安全的生物农药的需求不断增长.本实验室从堆肥中筛选出一株对若干植物病原霉菌和病原真菌具有强烈抑制作用、并显示广谱抗菌活性的洋葱伯克霍尔德菌CF-66,发酵液通过分离纯化后得到一种新型抗菌物质,有望作为新型生物农药来开发利用.为了检测洋葱伯克霍尔德菌CF-66的发酵能力,预测其发酵过程中菌体、底物及代谢产物的

  12. Applied mathematics

    CERN Document Server

    Logan, J David

    2013-01-01

    Praise for the Third Edition"Future mathematicians, scientists, and engineers should find the book to be an excellent introductory text for coursework or self-study as well as worth its shelf space for reference." -MAA Reviews Applied Mathematics, Fourth Edition is a thoroughly updated and revised edition on the applications of modeling and analyzing natural, social, and technological processes. The book covers a wide range of key topics in mathematical methods and modeling and highlights the connections between mathematics and the applied and nat

  13. A human-phantom coupling experiment and a dispersive simulation model for investigating the variation of dielectric properties of biological tissues.

    Science.gov (United States)

    Gomez-Tames, Jose; Fukuhara, Yuto; He, Siyu; Saito, Kazuyuki; Ito, Koichi; Yu, Wenwei

    2015-06-01

    Variation of the dielectric properties of tissues could happen due to aging, moisture of the skin, muscle denervation, and variation of blood flow by temperature. Several studies used burst-modulated alternating stimulation to improve activation and comfort by reducing tissue impedance as a possible mechanism to generate muscle activation with less energy. The study of the effect of dielectric properties of biological tissues in nerve activation presents a fundamental problem, which is the difficulty of systematically changing the morphological factors and dielectric properties of the subjects under study. We tackle this problem by using a simulation and an experimental study. The experimental study is a novel method that combines a fat tissue-equivalent phantom, with known and adjustable dielectric properties, with the human thigh. In this way, the dispersion of the tissue under study could be modified to observe its effects systematically in muscle activation. We observed that, to generate a given amount of muscle or nerve activation under conditions of decreased impedance, the magnitude of the current needs to be increased while the magnitude of the voltage needs to be decreased.

  14. Preliminary results of the ion extraction simulations applied to the MONO1000 and SUPERSHyPIE electron cyclotron resonance ion sources.

    Science.gov (United States)

    Pierret, C; Maunoury, L; Biri, S; Pacquet, J Y; Tuske, O; Delferriere, O

    2008-02-01

    The goal of this article is to present simulations on the extraction from an electron cyclotron resonance ion source (ECRIS). The aim of this work is to find out an extraction system, which allows one to reduce the emittances and to increase the current of the extracted ion beam at the focal point of the analyzing dipole. But first, we should locate the correct software which is able to reproduce the specific physics of an ion beam. To perform the simulations, the following softwares have been tested: SIMION 3D, AXCEL, CPO 3D, and especially, for the magnetic field calculation, MATHEMATICA coupled with the RADIA module. Emittance calculations have been done with two types of ECRIS: one with a hexapole and one without a hexapole, and the difference will be discussed.

  15. Preliminary results of the ion extraction simulations applied to the MONO1000 and SUPERSHyPIE electron cyclotron resonance ion sourcesa)

    Science.gov (United States)

    Pierret, C.; Maunoury, L.; Biri, S.; Pacquet, J. Y.; Tuske, O.; Delferriere, O.

    2008-02-01

    The goal of this article is to present simulations on the extraction from an electron cyclotron resonance ion source (ECRIS). The aim of this work is to find out an extraction system, which allows one to reduce the emittances and to increase the current of the extracted ion beam at the focal point of the analyzing dipole. But first, we should locate the correct software which is able to reproduce the specific physics of an ion beam. To perform the simulations, the following softwares have been tested: SIMION 3D, AXCEL, CPO 3D, and especially, for the magnetic field calculation, MATHEMATICA coupled with the RADIA module. Emittance calculations have been done with two types of ECRIS: one with a hexapole and one without a hexapole, and the difference will be discussed.

  16. High performance computing applied to simulation of the flow in pipes; Computacao de alto desempenho aplicada a simulacao de escoamento em dutos

    Energy Technology Data Exchange (ETDEWEB)

    Cozin, Cristiane; Lueders, Ricardo; Morales, Rigoberto E.M. [Universidade Tecnologica Federal do Parana (UTFPR), Curitiba, PR (Brazil). Dept. de Engenharia Mecanica

    2008-07-01

    In recent years, computer cluster has emerged as a real alternative to solution of problems which require high performance computing. Consequently, the development of new applications has been driven. Among them, flow simulation represents a real computational burden specially for large systems. This work presents a study of using parallel computing for numerical fluid flow simulation in pipelines. A mathematical flow model is numerically solved. In general, this procedure leads to a tridiagonal system of equations suitable to be solved by a parallel algorithm. In this work, this is accomplished by a parallel odd-oven reduction method found in the literature which is implemented on Fortran programming language. A computational platform composed by twelve processors was used. Many measures of CPU times for different tridiagonal system sizes and number of processors were obtained, highlighting the communication time between processors as an important issue to be considered when evaluating the performance of parallel applications. (author)

  17. Thermal-comfort analysis and simulation for various low-energy cooling-technologies applied to an office building in a subtropical climate

    Energy Technology Data Exchange (ETDEWEB)

    Chowdhury, Ashfaque Ahmed; Rasul, M.G.; Khan, M.M.K. [College of Engineering and the Built Environment, Faculty of Sciences, Engineering and Health, Central Queensland University, Rockhampton, Qld 4702 (Australia)

    2008-06-15

    Simulation of buildings' thermal-performances is necessary to predict comfort of the occupants in buildings and to identify alternate cooling control-systems for achieving better indoor thermal environments. An analysis and prediction of thermal-comfort using DesignBuilder, based on the state-of-the-art building performance simulation software EnergyPlus, is carried out in an air-conditioned multi-storeyed building in the city of Rockhampton in Central Queensland, Australia. Rockhampton is located in a hot humid-region; therefore, indoor thermal-comfort is strongly affected by the outdoor climate. This study evaluates the actual thermal conditions of the Information Technology Division (ITD) building at Central Queensland University during winter and summer seasons and identifies the thermal comfort level of the occupants using low-energy cooling technologies namely, chilled ceiling (CC), economiser usages and pre-cooling. The Fanger comfort-model, Pierce two-node model and KSU two-node model were used to predict thermal performance of the building. A sophisticated building-analysis tool was integrated with the thermal comfort models for determining appropriate cooling-technologies for the occupants to be thermally comfortable while achieving sufficient energy savings. This study compares the predicted mean-vote (PMV) index on a seven-point thermal-sensation scale, calculated using the effective temperature and relative humidity for those cooling techniques. Simulated results show that systems using a chilled ceiling offer the best thermal comfort for the occupants during summer and winter in subtropical climates. The validity of the simulation results was checked with measured values of temperature and humidity for typical days in both summer and winter. The predicted results show a reasonable agreement with the measured data. (author)

  18. Counterfactual simulations applied to SHRP2 crashes: The effect of driver behavior models on safety benefit estimations of intelligent safety systems.

    Science.gov (United States)

    Bärgman, Jonas; Boda, Christian-Nils; Dozza, Marco

    2017-03-15

    As the development and deployment of in-vehicle intelligent safety systems (ISS) for crash avoidance and mitigation have rapidly increased in the last decades, the need to evaluate their prospective safety benefits before introduction has never been higher. Counterfactual simulations using relevant mathematical models (for vehicle dynamics, sensors, the environment, ISS algorithms, and models of driver behavior) have been identified as having high potential. However, although most of these models are relatively mature, models of driver behavior in the critical seconds before a crash are still relatively immature. There are also large conceptual differences between different driver models. The objective of this paper is, firstly, to demonstrate the importance of the choice of driver model when counterfactual simulations are used to evaluate two ISS: Forward collision warning (FCW), and autonomous emergency braking (AEB). Secondly, the paper demonstrates how counterfactual simulations can be used to perform sensitivity analyses on parameter settings, both for driver behavior and ISS algorithms. Finally, the paper evaluates the effect of the choice of glance distribution in the driver behavior model on the safety benefit estimation. The paper uses pre-crash kinematics and driver behavior from 34 rear-end crashes from the SHRP2 naturalistic driving study for the demonstrations. The results for FCW show a large difference in the percent of avoided crashes between conceptually different models of driver behavior, while differences were small for conceptually similar models. As expected, the choice of model of driver behavior did not affect AEB benefit much. Based on our results, researchers and others who aim to evaluate ISS with the driver in the loop through counterfactual simulations should be sure to make deliberate and well-grounded choices of driver models: the choice of model matters.

  19. Analysis of the effect of the Electron-Beam welding sequence for a fixed manufacturing route using finite element simulations applied to ITER vacuum vessel manufacture

    Energy Technology Data Exchange (ETDEWEB)

    Martín-Menéndez, Cristina, E-mail: cristina@natec-ingenieros.com [Numerical Analysis Technologies, S.L. Marqués de San Esteban No. 52, 33206 Gijón (Spain); Rodríguez, Eduardo [Department of Mechanical Engineering, University of Oviedo, Campus de Gijón, 33203 Gijón (Spain); Ottolini, Marco [Ansaldo Nucleare S.p.A., Corso Perrone 25, 16152 Genova (Italy); Caixas, Joan [F4E, c/Josep Pla, n.2, Torres Diagonal Litoral, Edificio B3, E-08019 Barcelona (Spain); Guirao, Julio [Numerical Analysis Technologies, S.L. Marqués de San Esteban No. 52, 33206 Gijón (Spain)

    2016-03-15

    Highlights: • The simulation methodology employed in this paper is able to adapt inside a complex manufacturing route. • The effect of the sequence is lower in a highly constrained assembly than in a lowly constrained one. • The most relevant influence on the distortions is the jigs design, instead of the welding sequence. • The welding distortion analysis should be used as a guidance to design and improve the manufacturing strategy. - Abstract: The ITER Vacuum Vessel Sectors have very tight tolerances and high density of welding. Therefore, prediction and reduction of welding distortion are critical to allow the final assembly with the other Vacuum Vessel Sectors without the production of a full scale prototype. In this paper, the effect of the welding sequence in the distortions inside a fixed manufacturing route and in a highly constrained assembly is studied in the poloidal segment named inboard (PS1). This is one of the four poloidal segments (PS) assembled for the sector. Moreover, some restrictions and limitations in the welding sequence related to the manufacturing process are explained. The results obtained show that the effect of the sequence is lower in a highly constrained assembly than in a low constrained one. A prototype manufactured by AMW consortium (PS1 mock-up) is used in order to validate the finite element method welding simulation employed. The obtained results confirmed that for Electron-Beam welds, both the welding simulation and the mock-up show a low value of distortions.

  20. Systems biology in animal sciences

    NARCIS (Netherlands)

    Woelders, H.; Pas, te M.F.W.; Bannink, A.; Veerkamp, R.F.; Smits, M.A.

    2011-01-01

    Systems biology is a rapidly expanding field of research and is applied in a number of biological disciplines. In animal sciences, omics approaches are increasingly used, yielding vast amounts of data, but systems biology approaches to extract understanding from these data of biological processes an

  1. 形态模拟在儿童居室设计中的应用研究%Research of Shape Simulation Apply to Family Children Bedroom Design

    Institute of Scientific and Technical Information of China (English)

    周兵; 张书鸿

    2016-01-01

    儿童的审美情趣是活泼的,利用形态模拟的设计方法增强儿童居室空间的趣味性,包括室内界面和家具设计,通过借用自然界或人造物的典型特征,创造有想象力的空间,是创造性思维方法中最常用的设计方法,在对生理心理具体分析的基础上,儿童家庭居室设计又有其特殊性,其意义表现在激发设计灵感,有效提高设计效率,把自然生态带入到室内空间等,形态模拟在室内设计中的应用有具体的造型方法,包括具象模拟法和抽象模拟法,这种造型方法必须遵循形式美法则,设计可以根据不同需求从形态、色彩、肌理与纹路、声音模拟四个方面为入手点。%Aesthetic taste of children is lively, using simulation to design methods that enhance the interest of children bedroom space .Including interior interface and furniture design, by borrowing the nature or the typical characteristics of creation project, creating imaginative space,is a kind of creative design method,on the basis of analysis of the specific physiological psychological condition,child family bedroom design also has its particularity,can inspiring design and improving design efciency,put the natural ecology into the interior space.Form simulation application in interior design have specific modeling method.Including representational simulation method and abstract simulation method,this method of modeling aesthetic principles must be followed,space can be designed according to different requirements from the shape, color, texture and grain, sound simulation four aspects as the starting point.

  2. Applied Enzymology.

    Science.gov (United States)

    Manoharan, Asha; Dreisbach, Joseph H.

    1988-01-01

    Describes some examples of chemical and industrial applications of enzymes. Includes a background, a discussion of structure and reactivity, enzymes as therapeutic agents, enzyme replacement, enzymes used in diagnosis, industrial applications of enzymes, and immobilizing enzymes. Concludes that applied enzymology is an important factor in…

  3. Computational systems chemical biology.

    Science.gov (United States)

    Oprea, Tudor I; May, Elebeoba E; Leitão, Andrei; Tropsha, Alexander

    2011-01-01

    There is a critical need for improving the level of chemistry awareness in systems biology. The data and information related to modulation of genes and proteins by small molecules continue to accumulate at the same time as simulation tools in systems biology and whole body physiologically based pharmacokinetics (PBPK) continue to evolve. We called this emerging area at the interface between chemical biology and systems biology systems chemical biology (SCB) (Nat Chem Biol 3: 447-450, 2007).The overarching goal of computational SCB is to develop tools for integrated chemical-biological data acquisition, filtering and processing, by taking into account relevant information related to interactions between proteins and small molecules, possible metabolic transformations of small molecules, as well as associated information related to genes, networks, small molecules, and, where applicable, mutants and variants of those proteins. There is yet an unmet need to develop an integrated in silico pharmacology/systems biology continuum that embeds drug-target-clinical outcome (DTCO) triplets, a capability that is vital to the future of chemical biology, pharmacology, and systems biology. Through the development of the SCB approach, scientists will be able to start addressing, in an integrated simulation environment, questions that make the best use of our ever-growing chemical and biological data repositories at the system-wide level. This chapter reviews some of the major research concepts and describes key components that constitute the emerging area of computational systems chemical biology.

  4. 一种可应用于内燃机瞬态仿真的动网格模型%Dynamic Mesh Model Applied to ICE Transient Simulation

    Institute of Scientific and Technical Information of China (English)

    孙华文; 杨丽红; 明平剑; 张文平

    2016-01-01

    提出了一种基于非结构网格的动态层网格实现算法,结合滑移网格算法构建了基于分块滑移动态层的非结构化内燃机动网格模型,并基于TBD620柴油机建立了计算模型,所有算法都基于课题组自主研发的通用输运方程求解软件实现.流场计算采用适用于可压缩流场的有限体积法及SIMPLE算法.通过数值算例对所开发的滑移网格模型和动态层网格模型进行了验证,最后对内燃机缸内瞬态流场进行了仿真.计算结果表明,所发展的非结构化动网格模型可应用于内燃机瞬态流场的仿真.%A new dynamic layer mesh algorithm based on unstructured mesh was introduced and the dynamic mesh model of internal combustion engine(ICE) was built by combining the sliding mesh algorithm based on the sliding dynamic layer .The calculation model of TBD620 diesel engine was further established and all the referred algorithms were realized through the self-developed general transport equation solver .The finite volume method and SIMPLE algorithm for the compressible fluid were utilized in the simulation .Moreover ,the sliding mesh model and dynamic layer mesh model were verified through the numerical examples and finally the in-cylinder transient flow field of ICE was simulated .The results show that the introduced dynamic mesh method can realize the transient flow field simulation of ICE .

  5. Applied dynamics

    CERN Document Server

    Schiehlen, Werner

    2014-01-01

    Applied Dynamics is an important branch of engineering mechanics widely applied to mechanical and automotive engineering, aerospace and biomechanics as well as control engineering and mechatronics. The computational methods presented are based on common fundamentals. For this purpose analytical mechanics turns out to be very useful where D’Alembert’s principle in the Lagrangian formulation proves to be most efficient. The method of multibody systems, finite element systems and continuous systems are treated consistently. Thus, students get a much better understanding of dynamical phenomena, and engineers in design and development departments using computer codes may check the results more easily by choosing models of different complexity for vibration and stress analysis.

  6. M3D-C1 simulations of the plasma response to n = 3 magnetic perturbations applied to the NSTX-U snowflake divertor

    Science.gov (United States)

    Canal, G. P.; Ferraro, N. M.; Evans, T. E.; Osborne, T. H.; Menard, J. E.; Ahn, J.-W.; Maingi, R.; Wingen, A.; Ciro, D.; Frerichs, H.; Schmitz, O.; Soukhanoviskii, V.; Waters, I.

    2016-10-01

    Single- and two-fluid resistive magnetohydrodynamic simulations, performed with the code M3D-C1, are used to investigate the effect of n = 3 magnetic perturbations on the SF divertor configuration. The calculations are based on simulated NSTX-U plasmas and the results show that additional and longer magnetic lobes are created in the null-point region of the SF configuration, compared to those in the conventional single-null. The intersection of these additional and longer lobes with the divertor plates are expected to cause more striations in the particle and heat flux target profiles. In addition, the results indicate that the size of the magnetic lobes, in both single-null and SF configurations, are more sensitive to resonant than to non-resonant magnetic perturbations. The results also suggest that lower values of current in non-axisymmetric control coils close enough to the primary x-point would be required to suppress edge localized modes in plasmas with the SF configuration. This work has been supported by the US Department of Energy, Office of Science, Office of Fusion Energy Science under DOE Award DE-SC0012706.

  7. Responses of Cell Renewal Systems to Long-term Low-Level Radiation Exposure: A Feasibility Study Applying Advanced Molecular Biology Techniques on Available Histological and Cytological Material of Exposed Animals and Men

    Energy Technology Data Exchange (ETDEWEB)

    Fliedner Theodor M.; Feinendegen Ludwig E.; Meineke Viktor; Fritz Thomas E.

    2005-02-28

    First results of this feasibility study showed that evaluation of the stored material of the chronically irradiated dogs with modern molecular biological techniques proved to be successful and extremely promising. Therefore an in deep analysis of at least part of the huge amount of remaining material is of outmost interest. The methods applied in this feasibility study were pathological evaluation with different staining methods, protein analysis by means of immunohistochemistry, strand break analysis with the TdT-assay, DNA- and RNA-analysis as well as genomic examination by gene array. Overall more than 50% of the investigated material could be used. In particular the results of an increased stimulation of the immune system within the dogs of the 3mSv group as both compared to the control and higher dose groups gives implications for the in depth study of the cellular events occurring in context with low dose radiation. Based on the findings of this study a further evaluation and statistically analysis of more material can help to identify promising biomarkers for low dose radiation. A systematic evaluation of a correlation of dose rates and strand breaks within the dog tissue might moreover help to explain mechanisms of tolerance to IR. One central problem is that most sequences for dog specific primers are not known yet. The discovery of the dog genome is still under progress. In this study the isolation of RNA within the dog tissue was successful. But up to now there are no gene arrays or gene chips commercially available, tested and adapted for canine tissue. The uncritical use of untested genomic test systems for canine tissue seems to be ineffective at the moment, time consuming and ineffective. Next steps in the investigation of genomic changes after IR within the stored dog tissue should be limited to quantitative RT-PCR of tested primer sequences for the dog. A collaboration with institutions working in the field of the discovery of the dog genome could

  8. Laboratory of Biological Modeling

    Data.gov (United States)

    Federal Laboratory Consortium — The Laboratory of Biological Modeling is defined by both its methodologies and its areas of application. We use mathematical modeling in many forms and apply it to...

  9. Laboratory of Biological Modeling

    Data.gov (United States)

    Federal Laboratory Consortium — The Laboratory of Biological Modeling is defined by both its methodologies and its areas of application. We use mathematical modeling in many forms and apply it to a...

  10. Systems biology of industrial microorganisms.

    Science.gov (United States)

    Papini, Marta; Salazar, Margarita; Nielsen, Jens

    2010-01-01

    The field of industrial biotechnology is expanding rapidly as the chemical industry is looking towards more sustainable production of chemicals that can be used as fuels or building blocks for production of solvents and materials. In connection with the development of sustainable bioprocesses, it is a major challenge to design and develop efficient cell factories that can ensure cost efficient conversion of the raw material into the chemical of interest. This is achieved through metabolic engineering, where the metabolism of the cell factory is engineered such that there is an efficient conversion of sugars, the typical raw materials in the fermentation industry, into the desired product. However, engineering of cellular metabolism is often challenging due to the complex regulation that has evolved in connection with adaptation of the different microorganisms to their ecological niches. In order to map these regulatory structures and further de-regulate them, as well as identify ingenious metabolic engineering strategies that full-fill mass balance constraints, tools from systems biology can be applied. This involves both high-throughput analysis tools like transcriptome, proteome and metabolome analysis, as well as the use of mathematical modeling to simulate the phenotypes resulting from the different metabolic engineering strategies. It is in fact expected that systems biology may substantially improve the process of cell factory development, and we therefore propose the term Industrial Systems Biology for how systems biology will enhance the development of industrial biotechnology for sustainable chemical production.

  11. Systems Biology of Industrial Microorganisms

    Science.gov (United States)

    Papini, Marta; Salazar, Margarita; Nielsen, Jens

    The field of industrial biotechnology is expanding rapidly as the chemical industry is looking towards more sustainable production of chemicals that can be used as fuels or building blocks for production of solvents and materials. In connection with the development of sustainable bioprocesses, it is a major challenge to design and develop efficient cell factories that can ensure cost efficient conversion of the raw material into the chemical of interest. This is achieved through metabolic engineering, where the metabolism of the cell factory is engineered such that there is an efficient conversion of sugars, the typical raw materials in the fermentation industry, into the desired product. However, engineering of cellular metabolism is often challenging due to the complex regulation that has evolved in connection with adaptation of the different microorganisms to their ecological niches. In order to map these regulatory structures and further de-regulate them, as well as identify ingenious metabolic engineering strategies that full-fill mass balance constraints, tools from systems biology can be applied. This involves both high-throughput analysis tools like transcriptome, proteome and metabolome analysis, as well as the use of mathematical modeling to simulate the phenotypes resulting from the different metabolic engineering strategies. It is in fact expected that systems biology may substantially improve the process of cell factory development, and we therefore propose the term Industrial Systems Biology for how systems biology will enhance the development of industrial biotechnology for sustainable chemical production.

  12. Competing Uses of Underground Systems Related to Energy Supply: Applying Single- and Multiphase Simulations for Site Characterization and Risk-Analysis

    Science.gov (United States)

    Kissinger, A.; Walter, L.; Darcis, M.; Flemisch, B.; Class, H.

    2012-04-01

    Global climate change, shortage of resources and the resulting turn towards renewable sources of energy lead to a growing demand for the utilization of subsurface systems. Among these competing uses are Carbon Capture and Storage (CCS), geothermal energy, nuclear waste disposal, "renewable" methane or hydrogen storage as well as the ongoing production of fossil resources like oil, gas, and coal. Besides competing among themselves, these technologies may also create conflicts with essential public interests like water supply. For example, the injection of CO2 into the underground causes an increase in pressure reaching far beyond the actual radius of influence of the CO2 plume, potentially leading to large amounts of displaced salt water. Finding suitable sites is a demanding task for several reasons. Natural systems as opposed to technical systems are always characterized by heterogeneity. Therefore, parameter uncertainty impedes reliable predictions towards capacity and safety of a site. State of the art numerical simulations combined with stochastic approaches need to be used to obtain a more reliable assessment of the involved risks and the radii of influence of the different processes. These simulations may include the modeling of single- and multiphase non-isothermal flow, geo-chemical and geo-mechanical processes in order to describe all relevant physical processes adequately. Stochastic approaches have the aim to estimate a bandwidth of the key output parameters based on uncertain input parameters. Risks for these different underground uses can then be made comparable with each other. Along with the importance and the urgency of the competing processes this may lead to a more profound basis for a decision. Communicating risks to stake holders and a concerned public is crucial for the success of finding a suitable site for CCS (or other subsurface utilization). We present and discuss first steps towards an approach for addressing the issue of competitive

  13. The use of multiscale molecular simulations in understanding a relationship between the structure and function of biological systems of the brain: the application to monoamine oxidase enzymes

    Directory of Open Access Journals (Sweden)

    Robert Vianello

    2016-07-01

    Full Text Available Aging society and therewith associated neurodegenerative and neuropsychiatric diseases, including depression, Alzheimer’s disease, obsessive disorders, and Parkinson’s disease, urgently require novel drug candidates. Targets include monoamine oxidases A and B (MAOs, acetylcholinesterase (AChE and butyrylcholinesterase (BChE, and various receptors and transporters. For rational drug design it is particularly important to combine experimental synthetic, kinetic, toxicological and pharmacological information with structural and computational work. This paper describes the application of various modern computational biochemistry methods in order to improve the understanding of a relationship between the structure and function of large biological systems including ion channels, transporters, receptors and metabolic enzymes. The methods covered stem from classical molecular dynamics simulations to understand the physical basis and the time evolution of the structures, to combined QM and QM/MM approaches to probe the chemical mechanisms of enzymatic activities and their inhibition. As an illustrative example, the later will focus on the monoamine oxidase family of enzymes, which catalyze the degradation of amine neurotransmitters in various parts of the brain, the imbalance of which is associated with the development and progression of a range of neurodegenerative disorders. Inhibitors that act mainly on MAO A are used in the treatment of depression, due to their ability to raise serotonin concentrations, while MAO B inhibitors decrease dopamine degradation and improve motor control in patients with Parkinson disease. Our results give strong support that both MAO isoforms, A and B, operate through the hydride transfer mechanism. Relevance of MAO catalyzed reactions and MAO inhibition in the context of neurodegeneration will be discussed.

  14. Monte Carlo electron-trajectory simulations in bright-field and dark-field STEM: Implications for tomography of thick biological sections

    Energy Technology Data Exchange (ETDEWEB)

    Sousa, A.A.; Hohmann-Marriott, M.F.; Zhang, G. [Laboratory of Bioengineering and Physical Science, National Institute of Biomedical Imaging and Bioengineering, National Institutes of Health, Bldg. 13, Rm. 3N17, 13 South Drive, Bethesda, MD 20892-5766 (United States); Leapman, R.D. [Laboratory of Bioengineering and Physical Science, National Institute of Biomedical Imaging and Bioengineering, National Institutes of Health, Bldg. 13, Rm. 3N17, 13 South Drive, Bethesda, MD 20892-5766 (United States)], E-mail: leapmanr@mail.nih.gov

    2009-02-15

    A Monte Carlo electron-trajectory calculation has been implemented to assess the optimal detector configuration for scanning transmission electron microscopy (STEM) tomography of thick biological sections. By modeling specimens containing 2 and 3 at% osmium in a carbon matrix, it was found that for 1-{mu}m-thick samples the bright-field (BF) and annular dark-field (ADF) signals give similar contrast and signal-to-noise ratio provided the ADF inner angle and BF outer angle are chosen optimally. Spatial resolution in STEM imaging of thick sections is compromised by multiple elastic scattering which results in a spread of scattering angles and thus a spread in lateral distances of the electrons leaving the bottom surface. However, the simulations reveal that a large fraction of these multiply scattered electrons are excluded from the BF detector, which results in higher spatial resolution in BF than in high-angle ADF images for objects situated towards the bottom of the sample. The calculations imply that STEM electron tomography of thick sections should be performed using a BF rather than an ADF detector. This advantage was verified by recording simultaneous BF and high-angle ADF STEM tomographic tilt series from a stained 600-nm-thick section of C. elegans. It was found that loss of spatial resolution occurred markedly at the bottom surface of the specimen in the ADF STEM but significantly less in the BF STEM tomographic reconstruction. Our results indicate that it might be feasible to use BF STEM tomography to determine the 3D structure of whole eukaryotic microorganisms prepared by freeze-substitution, embedding, and sectioning.

  15. Quantum biological information theory

    CERN Document Server

    Djordjevic, Ivan B

    2016-01-01

    This book is a self-contained, tutorial-based introduction to quantum information theory and quantum biology. It serves as a single-source reference to the topic for researchers in bioengineering, communications engineering, electrical engineering, applied mathematics, biology, computer science, and physics. The book provides all the essential principles of the quantum biological information theory required to describe the quantum information transfer from DNA to proteins, the sources of genetic noise and genetic errors as well as their effects. Integrates quantum information and quantum biology concepts; Assumes only knowledge of basic concepts of vector algebra at undergraduate level; Provides a thorough introduction to basic concepts of quantum information processing, quantum information theory, and quantum biology; Includes in-depth discussion of the quantum biological channel modelling, quantum biological channel capacity calculation, quantum models of aging, quantum models of evolution, quantum models o...

  16. Fluent12在齿轮泵流场仿真中的应用%Applied of Fluent 12 In Gear Pump Flow Field Simulation

    Institute of Scientific and Technical Information of China (English)

    吴炳胜; 王建; 马戎; 王杰华

    2013-01-01

    The flow field simulation of gear pump is carried out based on Fluent 12.The trapped oil pressure of gear pump and the liquid velocity of pump cavity are analyzed.The results show that,high velocity of the hydraulic oil appeared in the inlet and outlet opening and trapped oil area.Increase backlash or further narrowing the spacing of traditional unloading tank,the trapped oil phenomenon can be eased.%基于Fluent 12对齿轮泵的流场进行了仿真,并对齿轮泵的困油压力和泵腔内液体流速进行了分析,结果表明,液压油的高流速出现在进油口、出油口和困油区;增大齿隙或进一步缩小传统卸荷槽间距,可以缓解困油现象.

  17. Quantifying the effect of tissue deformation on diffusion-weighted MRI: a mathematical model and an efficient simulation framework applied to cardiac diffusion imaging

    Science.gov (United States)

    Mekkaoui, Imen; Moulin, Kevin; Croisille, Pierre; Pousin, Jerome; Viallon, Magalie

    2016-08-01

    Cardiac motion presents a major challenge in diffusion weighted MRI, often leading to large signal losses that necessitate repeated measurements. The diffusion process in the myocardium is difficult to investigate because of the unqualified sensitivity of diffusion measurements to cardiac motion. A rigorous mathematical formalism is introduced to quantify the effect of tissue motion in diffusion imaging. The presented mathematical model, based on the Bloch-Torrey equations, takes into account deformations according to the laws of continuum mechanics. Approximating this mathematical model by using finite elements method, numerical simulations can predict the sensitivity of the diffusion signal to cardiac motion. Different diffusion encoding schemes are considered and the diffusion weighted MR signals, computed numerically, are compared to available results in literature. Our numerical model can identify the existence of two time points in the cardiac cycle, at which the diffusion is unaffected by myocardial strain and cardiac motion. Of course, these time points depend on the type of diffusion encoding scheme. Our numerical results also show that the motion sensitivity of the diffusion sequence can be reduced by using either spin echo technique with acceleration motion compensation diffusion gradients or stimulated echo acquisition mode with unipolar and bipolar diffusion gradients.

  18. Wettability behavior of water droplet on organic-polluted fused quartz surfaces of pillar-type nanostructures applying molecular dynamics simulation

    Science.gov (United States)

    Chen, Jiaxuan; Chen, Wenyang; Xie, Yajing; Wang, Zhiguo; Qin, Jianbo

    2017-02-01

    Molecular dynamics (MD) is applied to research the wettability behaviors of different scale of water clusters absorbed on organic-polluted fused quartz (FQ) surface and different surface structures. The wettability of water clusters is studied under the effect of organic pollutant. With the combined influence of pillar height and interval, the stair-step Wenzel-Cassie transition critical line is obtained by analyzing stable state of water clusters on different surface structures. The results also show that when interval of pillars and the height of pillars keep constant respectively, the changing rules are exactly the opposite and these are termed as the "waterfall" rules. The substrate models of water clusters at Cassie-Baxter state which are at the vicinity of critical line are chosen to analyze the relationship of HI (refers to the pillar height/interval) ratio and scale of water cluster. The study has found that there is a critical changing threshold in the wettability changing process. When the HI ratio keeps constant, the wettability decreases first and then increase as the size of cluster increases; on the contrary, when the size of cluster keeps constant, the wettability decreases and then increase with the decrease of HI ratio, but when the size of water cluster is close to the threshold the HI ratio has little effect on the wettability.

  19. 用于地震观测的瞬态滤波器仿真研究%The simulation study of instantaneous filter applied for earthquake observation

    Institute of Scientific and Technical Information of China (English)

    邵玉平; 韩进; 杨晓源; 王翠芳; 宋澄

    2009-01-01

    现代地震数据采集器中广泛使用的最小相位滤波器和线性相位滤波器各有不足之处,最小相位滤波引起的"振铃"尾波,线性相位滤波引起的"前缀"波,无法用后续处理的方法消除.本文提出一种专用于地震波形采集的瞬态滤波器设想,该瞬态滤波器既能满足最小相位特性,又能保持较好的线性相位特性.本文用Matlab设计出了可以满足上述条件的瞬态滤波器,并通过仿真比较了正弦接入波通过3种滤波器的输出波形.从仿真结果可以看出,与最小相位和线性相位滤波相比较,该瞬态滤波器的波形失真最小.%Both minimum phase filter and linear phase filter used in data acquisition recorder have demerits. Seismic wave recorded by minimum phase filter has obvious ring trail and recorded by linear phase filter has prefix wave, which can not be eliminated in data process. The idea that instantaneous filter specially designed for seismic wave acquisition is proposed in the paper, which is not only characteristic of minimum phase, but also good linear. Instantaneous filter is designed using Matlab in the paper, and output wave of sine wave throw three filters are compared. It can be seen from simulation results that the instantaneous filter has the minimum distortion compared to minimum phase and linear phase.

  20. Are cranial biomechanical simulation data linked to known diets in extant taxa? A method for applying diet-biomechanics linkage models to infer feeding capability of extinct species.

    Science.gov (United States)

    Tseng, Zhijie Jack; Flynn, John J

    2015-01-01

    Performance of the masticatory system directly influences feeding and survival, so adaptive hypotheses often are proposed to explain craniodental evolution via functional morphology changes. However, the prevalence of "many-to-one" association of cranial forms and functions in vertebrates suggests a complex interplay of ecological and evolutionary histories, resulting in redundant morphology-diet linkages. Here we examine the link between cranial biomechanical properties for taxa with different dietary preferences in crown clade Carnivora, the most diverse clade of carnivorous mammals. We test whether hypercarnivores and generalists can be distinguished based on cranial mechanical simulation models, and how such diet-biomechanics linkages relate to morphology. Comparative finite element and geometric morphometrics analyses document that predicted bite force is positively allometric relative to skull strain energy; this is achieved in part by increased stiffness in larger skull models and shape changes that resist deformation and displacement. Size-standardized strain energy levels do not reflect feeding preferences; instead, caniform models have higher strain energy than feliform models. This caniform-feliform split is reinforced by a sensitivity analysis using published models for six additional taxa. Nevertheless, combined bite force-strain energy curves distinguish hypercarnivorous versus generalist feeders. These findings indicate that the link between cranial biomechanical properties and carnivoran feeding preference can be clearly defined and characterized, despite phylogenetic and allometric effects. Application of this diet-biomechanics linkage model to an analysis of an extinct stem carnivoramorphan and an outgroup creodont species provides biomechanical evidence for the evolution of taxa into distinct hypercarnivorous and generalist feeding styles prior to the appearance of crown carnivoran clades with similar feeding preferences.

  1. Are cranial biomechanical simulation data linked to known diets in extant taxa? A method for applying diet-biomechanics linkage models to infer feeding capability of extinct species.

    Directory of Open Access Journals (Sweden)

    Zhijie Jack Tseng

    Full Text Available Performance of the masticatory system directly influences feeding and survival, so adaptive hypotheses often are proposed to explain craniodental evolution via functional morphology changes. However, the prevalence of "many-to-one" association of cranial forms and functions in vertebrates suggests a complex interplay of ecological and evolutionary histories, resulting in redundant morphology-diet linkages. Here we examine the link between cranial biomechanical properties for taxa with different dietary preferences in crown clade Carnivora, the most diverse clade of carnivorous mammals. We test whether hypercarnivores and generalists can be distinguished based on cranial mechanical simulation models, and how such diet-biomechanics linkages relate to morphology. Comparative finite element and geometric morphometrics analyses document that predicted bite force is positively allometric relative to skull strain energy; this is achieved in part by increased stiffness in larger skull models and shape changes that resist deformation and displacement. Size-standardized strain energy levels do not reflect feeding preferences; instead, caniform models have higher strain energy than feliform models. This caniform-feliform split is reinforced by a sensitivity analysis using published models for six additional taxa. Nevertheless, combined bite force-strain energy curves distinguish hypercarnivorous versus generalist feeders. These findings indicate that the link between cranial biomechanical properties and carnivoran feeding preference can be clearly defined and characterized, despite phylogenetic and allometric effects. Application of this diet-biomechanics linkage model to an analysis of an extinct stem carnivoramorphan and an outgroup creodont species provides biomechanical evidence for the evolution of taxa into distinct hypercarnivorous and generalist feeding styles prior to the appearance of crown carnivoran clades with similar feeding preferences.

  2. All biology is computational biology

    Science.gov (United States)

    2017-01-01

    Here, I argue that computational thinking and techniques are so central to the quest of understanding life that today all biology is computational biology. Computational biology brings order into our understanding of life, it makes biological concepts rigorous and testable, and it provides a reference map that holds together individual insights. The next modern synthesis in biology will be driven by mathematical, statistical, and computational methods being absorbed into mainstream biological training, turning biology into a quantitative science. PMID:28278152

  3. Cardiovascular, renal, electrolyte, and hormonal changes in man during gravitational stress, weightlessness, and simulated weightlessness: Lower body positive pressure applied by the antigravity suit. Thesis - Oslo Univ.

    Science.gov (United States)

    Kravik, Stein E.

    1989-01-01

    Because of their erect posture, humans are more vulnerable to gravitational changes than any other animal. During standing or walking man must constantly use his antigravity muscles and his two columns, his legs, to balance against the force of gravity. At the same time, blood is surging downward to the dependent portions of the body, draining blood away from the brain and heart, and requiring a series of complex cardiovascular adjustments to maintain the human in a bipedal position. It was not until 12 April 1961, when Yuri Gagarin became the first human being to orbit Earth, that we could confirm man's ability to maintain vital functions in space -- at least for 90 min. Nevertheless, man's adaptation to weightlessness entails the deconditioning of various organs in the body. Muscles atrophy, and calcium loss leads to loss of bone strength as the demands on the musculoskeletal system are almost nonexistent in weightlessness. Because of the lack of hydrostatic pressures in space, blood rushes to the upper portions of the body, initiating a complex series of cardioregulatory responses. Deconditioning during spaceflight, however, first becomes a potentially serious problem in humans returning to Earth, when the cardiovascular system, muscles and bones are suddenly exposed to the demanding counterforce of gravity -- weight. One of the main purposes of our studies was to test the feasibility of using Lower Body Positive Pressure, applied with an antigravity suit, as a new and alternative technique to bed rest and water immersion for studying cardioregulatory, renal, electrolyte, and hormonal changes in humans. The results suggest that Lower Body Positive Pressure can be used as an analog of microgravity-induced physiological responses in humans.

  4. Applied partial differential equations

    CERN Document Server

    Logan, J David

    2015-01-01

    This text presents the standard material usually covered in a one-semester, undergraduate course on boundary value problems and PDEs.  Emphasis is placed on motivation, concepts, methods, and interpretation, rather than on formal theory. The concise treatment of the subject is maintained in this third edition covering all the major ideas: the wave equation, the diffusion equation, the Laplace equation, and the advection equation on bounded and unbounded domains. Methods include eigenfunction expansions, integral transforms, and characteristics. In this third edition, text remains intimately tied to applications in heat transfer, wave motion, biological systems, and a variety other topics in pure and applied science. The text offers flexibility to instructors who, for example, may wish to insert topics from biology or numerical methods at any time in the course. The exposition is presented in a friendly, easy-to-read, style, with mathematical ideas motivated from physical problems. Many exercises and worked e...

  5. Simulation on Performance of Thermoelectric Generator Applied in Waste Heat Recovery%废热式温差发电器性能仿真

    Institute of Scientific and Technical Information of China (English)

    杨素文; 肖恒; 欧强; 苟小龙

    2012-01-01

    研究温差发电优化控制问题,温差发电技术是用回收废热转化为电能的转换器,使得温差发电运行稳定,产生大功率效能.温差发电技术涉及三大基本效应,导致其温度分布模型不清,难以实现上述目的.为了探究温差发电器的运行规律,指导温差发电器处于较大输出功率下运行,采用温差发电原理以及传热学理论,建立了一种用以求解温差发电器内部温度分布的数学模型.并以输出功率为目标函数,通过仿真计算得到温差发电器在不同工作条件下的性能特性.仿真比较发现,增强冷端散热能力是提高温差发电器输出功率的有效途径,且水冷效果相比空冷效果优势明显.实验结果可为优化温差发电器工作条件和提高其输出功率提供有价值的理论指导.%Thermoelectric generator technology, due to its several kinds of advantages, especially its promising applications to recover waste heat, has become a noticeable researcher direction. Thermoelectric technology involves three basic effects, which lead to the temperature distribution being difficult to solve. In order to explore operation law which makes thermoelectric generator have a bigger output power, a mathematical model based on thermoelectric principle and heat transfer theory has been built and was used to solve the temperature distribution of thermoelectric generator. The performance characteristics of thermoelectric generator in different operation conditions have been gained in the objective function of output power by simulating. By the comparison, it is found that reinforcing the heat transfer capability is an effective approach and the water is superior to the air for the cooling effect. The results can provide meaningful guidelines for optimizing operation conditions and improving output power of thermoelectric generator.

  6. Applied combustion

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1993-12-31

    From the title, the reader is led to expect a broad practical treatise on combustion and combustion devices. Remarkably, for a book of modest dimension, the author is able to deliver. The text is organized into 12 Chapters, broadly treating three major areas: combustion fundamentals -- introduction (Ch. 1), thermodynamics (Ch. 2), fluid mechanics (Ch. 7), and kinetics (Ch. 8); fuels -- coal, municipal solid waste, and other solid fuels (Ch. 4), liquid (Ch. 5) and gaseous (Ch. 6) fuels; and combustion devices -- fuel cells (Ch. 3), boilers (Ch. 4), Otto (Ch. 10), diesel (Ch. 11), and Wankel (Ch. 10) engines and gas turbines (Ch. 12). Although each topic could warrant a complete text on its own, the author addresses each of these major themes with reasonable thoroughness. Also, the book is well documented with a bibliography, references, a good index, and many helpful tables and appendices. In short, Applied Combustion does admirably fulfill the author`s goal for a wide engineering science introduction to the general subject of combustion.

  7. Contribution to the electrothermal simulation in power electronics. Development of a simulation methodology applied to switching circuits under variable operating conditions; Contribution a la simulation electrothermique en electronique de puissance. Developpement d`une methode de simulation pour circuits de commutation soumis a des commandes variables

    Energy Technology Data Exchange (ETDEWEB)

    Vales, P.

    1997-03-19

    In modern hybrid or monolithic integrated power circuits, electrothermal effects can no longer be ignored. A methodology is proposed in order to simulate electrothermal effects in power circuits, with a significant reduction of the computation time while taking into account electrical and thermal time constants which are usually widely different. A supervising program, written in Fortran, uses system call sequences and manages an interactive dialog between a fast thermal simulator and a general electrical simulator. This explicit coupling process between two specific simulators requires a multi-task operating system. The developed software allows for the prediction of the electrothermal power dissipation drift in the active areas of components, and the prediction of thermally-induced coupling effects between adjacent components. An application to the study of hard switching circuits working under variable operating conditions is presented

  8. Applied impulsive mathematical models

    CERN Document Server

    Stamova, Ivanka

    2016-01-01

    Using the theory of impulsive differential equations, this book focuses on mathematical models which reflect current research in biology, population dynamics, neural networks and economics. The authors provide the basic background from the fundamental theory and give a systematic exposition of recent results related to the qualitative analysis of impulsive mathematical models. Consisting of six chapters, the book presents many applicable techniques, making them available in a single source easily accessible to researchers interested in mathematical models and their applications. Serving as a valuable reference, this text is addressed to a wide audience of professionals, including mathematicians, applied researchers and practitioners.

  9. Applied Chaos Control

    Science.gov (United States)

    Spano, Mark

    1997-04-01

    The publication by Ott, Grebogi and Yorke(E. Ott, C. Grebogi and J. A. Yorke, Phys. Rev. Lett. 64, 1196 (1990).) of their theory of chaos control in 1990 led to an explosion of experimental work applying their theory to mechanical systems and electronic circuits, lasers and chemical reactors, and heart and brain tissue, to name only a few. In this talk the basics of chaos control as implemented in a simple mechanical system will be described, as well as extensions of the method to biological applications. Finally, current advances in the field, including the maintenance of chaos and the control of high dimensional chaos, will be discussed.

  10. Branching processes in biology

    CERN Document Server

    Kimmel, Marek

    2015-01-01

    This book provides a theoretical background of branching processes and discusses their biological applications. Branching processes are a well-developed and powerful set of tools in the field of applied probability. The range of applications considered includes molecular biology, cellular biology, human evolution and medicine. The branching processes discussed include Galton-Watson, Markov, Bellman-Harris, Multitype, and General Processes. As an aid to understanding specific examples, two introductory chapters, and two glossaries are included that provide background material in mathematics and in biology. The book will be of interest to scientists who work in quantitative modeling of biological systems, particularly probabilists, mathematical biologists, biostatisticians, cell biologists, molecular biologists, and bioinformaticians. The authors are a mathematician and cell biologist who have collaborated for more than a decade in the field of branching processes in biology for this new edition. This second ex...

  11. The Impact of a Web-Based Research Simulation in Bioinformatics on Students' Understanding of Genetics

    Science.gov (United States)

    Gelbart, Hadas; Brill, Gilat; Yarden, Anat

    2009-01-01

    Providing learners with opportunities to engage in activities similar to those carried out by scientists was addressed in a web-based research simulation in genetics developed for high school biology students. The research simulation enables learners to apply their genetics knowledge while giving them an opportunity to participate in an authentic…

  12. Experimental parameterization of an energy function for the simulation of unfolded proteins

    DEFF Research Database (Denmark)

    Norgaard, A.B.; Ferkinghoff-Borg, Jesper; Lindorff-Larsen, K.

    2008-01-01

    The determination of conformational preferences in unfolded and disordered proteins is an important challenge in structural biology. We here describe an algorithm to optimize energy functions for the simulation of unfolded proteins. The procedure is based on the maximum likelihood principle...... and can be applied to a range of experimental data and energy functions including the force fields used in molecular dynamics simulations....

  13. Systems biology, emergence and antireductionism.

    Science.gov (United States)

    Kesić, Srdjan

    2016-09-01

    This study explores the conceptual history of systems biology and its impact on philosophical and scientific conceptions of reductionism, antireductionism and emergence. Development of systems biology at the beginning of 21st century transformed biological science. Systems biology is a new holistic approach or strategy how to research biological organisms, developed through three phases. The first phase was completed when molecular biology transformed into systems molecular biology. Prior to the second phase, convergence between applied general systems theory and nonlinear dynamics took place, hence allowing the formation of systems mathematical biology. The second phase happened when systems molecular biology and systems mathematical biology, together, were applied for analysis of biological data. Finally, after successful application in science, medicine and biotechnology, the process of the formation of modern systems biology was completed. Systems and molecular reductionist views on organisms were completely opposed to each other. Implications of systems and molecular biology on reductionist-antireductionist debate were quite different. The analysis of reductionism, antireductionism and emergence issues, in the era of systems biology, revealed the hierarchy between methodological, epistemological and ontological antireductionism. Primarily, methodological antireductionism followed from the systems biology. Only after, epistemological and ontological antireductionism could be supported.

  14. Topological data analysis of biological aggregation models.

    Science.gov (United States)

    Topaz, Chad M; Ziegelmeier, Lori; Halverson, Tom

    2015-01-01

    We apply tools from topological data analysis to two mathematical models inspired by biological aggregations such as bird flocks, fish schools, and insect swarms. Our data consists of numerical simulation output from the models of Vicsek and D'Orsogna. These models are dynamical systems describing the movement of agents who interact via alignment, attraction, and/or repulsion. Each simulation time frame is a point cloud in position-velocity space. We analyze the topological structure of these point clouds, interpreting the persistent homology by calculating the first few Betti numbers. These Betti numbers count connected components, topological circles, and trapped volumes present in the data. To interpret our results, we introduce a visualization that displays Betti numbers over simulation time and topological persistence scale. We compare our topological results to order parameters typically used to quantify the global behavior of aggregations, such as polarization and angular momentum. The topological calculations reveal events and structure not captured by the order parameters.

  15. Using a computer simulation as a cognitive tool: A case study of the use and cognitive effects of Identibacter Interactus for the development of microbial identification strategies by college biology students

    Science.gov (United States)

    Johnson, Tristan Everett

    1999-07-01

    This study examined how microbiology students construct knowledge of bacterial identification while using a computer simulation. The purpose was to understand how the simulation affects the cognitive processing of students during thinking, problem solving, and learning about bacterial identification and to determine how the simulation facilitates the learning of a domain specific problem-solving strategy. A pragmatic reason for this study was to learn about the simulation's characteristics that impact the learning of a problem-solving strategy for bacterial identification. As part of an upper-division microbiology course, five students participated in several simulation assignments as part of the course. The data were collected using think-aloud protocol and video action logs as of students used the simulation. The analysis revealed two major themes that determined the performance of the students: Theme One: Simulation Usage---how the students use the software features, and Theme Two: Problem-Solving Strategy Development---the strategy level students started with and the skill level they achieved when they completed their use of the simulation. Several conclusions emerged from the analysis of the data. (1) Identibacter affects various aspects involving cognitive processing, including creating an environment that makes it possible to practice applying a problem-solving strategy. The simulation becomes a tool that allows students to practice the cognitive skills required to solve an unknown. (2) Identibacter may be considered to be a cognitive tool to facilitate the learning of bacterial identification problem-solving strategy. (3) The simulation characteristics that were involved with the students' use of this tool include the features that support the learning of a problem-solving strategy and the reference feature. (4) Students demonstrate five types of problem-solving strategies specific to bacterial identification: Random Testing Strategy, Select an Organism

  16. FAMUS (Flow Assurance by Management of Uncertainty and Simulation): a new tool for integrating flow assurance effects in traditional RAM (Reliability, Availability and Maintainability) analysis applied on a Norwegian Offshore System

    Energy Technology Data Exchange (ETDEWEB)

    Eisinger, Siegfried; Isaksen, Stefan; Grande, Oystein [Det Norske Veritas (DNV), Oslo (Norway); Chame, Luciana [Det Norske Veritas (DNV), Rio de Janeiro, RJ (Brazil)

    2008-07-01

    Traditional RAM (Reliability, Availability and Maintainability) models fall short of taking flow assurance effects into account. In many Oil and Gas production systems, flow assurance issues like hydrate formation, wax deposition or particle erosion may cause a substantial amount of production upsets. Flow Assurance issues are complex and hard to quantify in a production forecast. However, without taking them into account the RAM model generally overestimates the predicted system production. This paper demonstrates the FAMUS concept, which is a method and a tool for integrating RAM and Flow Assurance into one model, providing a better foundation for decision support. FAMUS utilises therefore both Discrete Event and Thermo-Hydraulic Simulation. The method is currently applied as a decision support tool in an early phase of the development of an offshore oil field on the Norwegian continental shelf. (author)

  17. Optics of Biological Particles

    CERN Document Server

    Hoekstra, Alfons; Videen, Gorden

    2007-01-01

    This book covers the optics of single biological particles, both theory and experiment, with emphasis on Elastic Light Scattering and Fluorescence. It deals with the optics of bacteria (bio-aerosols), marine particles (selected phytoplankton communities) and red and white blood cells. Moreover, there are dedicated chapters on a general theory for scattering by a cell, and modelling and simulation of scattering by inhomogeneous biological cells. Finally, one chapter is dedicated to astro-biological signatures, discussing the possibilities for detecting non-terrestrial biological material. The volume has up-to-date discussions on new experimental and numerical techniques, and many examples of applications of these techniques in real-life systems, as used to detect and characterize e.g. biological warfare agents or human blood cells.

  18. Anisotropy of light propagation in biological tissue

    Science.gov (United States)

    Kienle, A.; Forster, F. K.; Hibst, R.

    2004-11-01

    We investigated the propagation of light in biological tissues that have aligned cylindrical microstructures (e.g., muscle, skin, bone, tooth). Because of pronounced anisotropic light scattering by cylindrical structures (e.g., myofibrils and collagen fibers) the spatially resolved reflectance exhibits a directional dependence that is different close to and far from the incident source. We applied Monte Carlo simulations, using the phase function of an infinitely long cylinder, to explain quantitatively the experimental results. These observations have consequences for noninvasive determination of the optical properties of tissue as well as for the diagnosis of early tissue alterations.

  19. Applied technology section. Monthly report, December 1993

    Energy Technology Data Exchange (ETDEWEB)

    Buckner, M.R.

    1994-01-28

    This monthly report contains abstracts of the progress made in various projects from the applied technology section at the Savannah River Plant. Research areas include engineering modeling and simulation, applied physics, experimental thermal hydraulics, and packaging and transportation.

  20. The effect of exposure misclassification in spontaneous ADR reports on the time to detection of product-specific risks for biologicals : A simulation study

    NARCIS (Netherlands)

    Vermeer, Niels S.; Ebbers, Hans C.; Straus, Sabine M J M; Leufkens, Hubert G M; Egberts, Toine C G; De Bruin, Marie L.

    2016-01-01

    Background and Objective: The availability of accurate product-specific exposure information is essential in the pharmacovigilance of biologicals, because differences in the safety profile may emerge between products containing the same active substance. In spontaneous adverse drug reaction (ADR) re

  1. Computer Simulation of Embryonic Systems: What can a virtual embryo teach us about developmental toxicity? (LA Conference on Computational Biology & Bioinformatics)

    Science.gov (United States)

    This presentation will cover work at EPA under the CSS program for: (1) Virtual Tissue Models built from the known biology of an embryological system and structured to recapitulate key cell signals and responses; (2) running the models with real (in vitro) or synthetic (in silico...

  2. Measuring the evolutionary rewiring of biological networks.

    Directory of Open Access Journals (Sweden)

    Chong Shou

    Full Text Available We have accumulated a large amount of biological network data and expect even more to come. Soon, we anticipate being able to compare many different biological networks as we commonly do for molecular sequences. It has long been believed that many of these networks change, or "rewire", at different rates. It is therefore important to develop a framework to quantify the differences between networks in a unified fashion. We developed such a formalism based on analogy to simple models of sequence evolution, and used it to conduct a systematic study of network rewiring on all the currently available biological networks. We found that, similar to sequences, biological networks show a decreased rate of change at large time divergences, because of saturation in potential substitutions. However, different types of biological networks consistently rewire at different rates. Using comparative genomics and proteomics data, we found a consistent ordering of the rewiring rates: transcription regulatory, phosphorylation regulatory, genetic interaction, miRNA regulatory, protein interaction, and metabolic pathway network, from fast to slow. This ordering was found in all comparisons we did of matched networks between organisms. To gain further intuition on network rewiring, we compared our observed rewirings with those obtained from simulation. We also investigated how readily our formalism could be mapped to other network contexts; in particular, we showed how it could be applied to analyze changes in a range of "commonplace" networks such as family trees, co-authorships and linux-kernel function dependencies.

  3. 基于三维仿真技术的显微镜生物实验教学系统%Microscopic Control System for Biological Experiment Teaching Based on 3D Simulation Technology

    Institute of Scientific and Technical Information of China (English)

    马瑞; 董玲燕; 陈向东; 王竞之

    2011-01-01

    三维仿真系统是一个将现实场景转换成计算机虚拟现实的实时系统,以传统显微镜生物实验为例,构建了显微镜生物实验三维仿真系统.首先利用建模工具3ds MAX软件将真实显微镜转换成计算机模型数据,然后通过三维引擎绘制渲染,同时,三维引擎通过接受各种操作信息来改变显微镜模型的状态,实现人机交互,并进行显微镜生物实验的模拟.让学生既能了解显微镜的构造和功能,又可以不断反复地练习与操作实验,有利于对实验过程的认知与熟悉.%Three-dimensional simulation system is a real-time computer system that converts the existing objects of real world into virtual reality. Taking the traditional microscopy of biological experiments as an example, built a three-dimensional simulation system of microscope for biological experiments. Firstly, the real microscopy is converted into computer models through the modeling tools of 3ds MAX software, and then draw the models by 3D rendering engine, meanwhile, by accepting a variety of operating information,3D rendering engine can change the status of microscopic model , thus achieving human-computer interaction and simulation of microscopic biological experiments. The system help students not only understand the microscopic structure and function, but also continuously and repeatedly practice and operate experiments, which helps students to be familiar with experiment in the cognitive process.

  4. Frontiers in mathematical biology

    CERN Document Server

    1994-01-01

    Volume 100, which is the final volume of the LNBM series serves to commemorate the acievements in two decades of this influential collection of books in mathematical biology. The contributions, by the leading mathematical biologists, survey the state of the art in the subject, and offer speculative, philosophical and critical analyses of the key issues confronting the field. The papers address fundamental issues in cell and molecular biology, organismal biology, evolutionary biology, population ecology, community and ecosystem ecology, and applied biology, plus the explicit and implicit mathematical challenges. Cross-cuttting issues involve the problem of variation among units in nonlinear systems, and the related problems of the interactions among phenomena across scales of space, time and organizational complexity.

  5. Basic Principle of Molecular Dynamics and Application in The Filed of Biologic Molecules Simulation%分子动力学模拟及在生物大分子模拟领域的应用

    Institute of Scientific and Technical Information of China (English)

    刘冠辰

    2015-01-01

    简要介绍了分子动力学的发展历史、基本理论、基本步骤以及其作为基本研究手段来进行生物大分子模拟领域的应用。%This article briefly describes the molecular dynamics of development history,basic theory,basic steps and basic research as a means to carry out simulation in the field of application of biological macromolecules.

  6. 基于MSPH方法模拟激光对树脂基复合材料的辐照效应%MSPH method applied to simulate the irradiation effect of resin composites irradiated by laser

    Institute of Scientific and Technical Information of China (English)

    陈敏孙; 江厚满; 刘泽金

    2012-01-01

    Complicated physical and chemical changes such as thermal decomposition, ablation, evaporation even complicated interface problem may take place while resin composites irradiated by laser. In view of the mesh free particle methods have advantages on dealing with problems of large deformation, mesh distortion and laser ablation, the modified smoothed particle hydrodynamics method (MSPH) was applied to numerical simulating the three-dimensional temperature field model of resin composites irradiated by laser. By comparing the simulation results with the experimental results, the applicability of MSPH to simulate the irradiation effects of resin composites irradiated by laser was studied. Numerical simulation results indicate that MSPH is fit for modeling the irradiation effects of resin composites irradiated by laser. Furthermore, MSPH is also a valuable numerical method in the domain of laser interaction with matter.%树脂基复合材料在激光辐照下通常会发生复杂的物理化学变化,可能涉及材料热分解、烧蚀、汽化和比较复杂的界面问题.鉴于无网格粒子法在处理大变形、网格畸变和材料烧蚀等问题时有优势,利用改进的光滑粒子方法对激光辐照下复合材料树脂基热解时的三维温度场模型进行数值求解.将数值模拟结果与实验结果进行对比,考察了改进的光滑粒子方法对所考虑问题的适用性.结果表明:改进的光滑粒子方法适合于模拟激光对树脂基复合材料的辐照效应,在激光与物质相互作用领域,该方法也是值得关注的一种数值方法.

  7. [Biological weapons].

    Science.gov (United States)

    Kerwat, K; Becker, S; Wulf, H; Densow, D

    2010-08-01

    Biological weapons are weapons of mass destruction that use pathogens (bacteria, viruses) or the toxins produced by them to target living organisms or to contaminate non-living substances. In the past, biological warfare has been repeatedly used. Anthrax, plague and smallpox are regarded as the most dangerous biological weapons by various institutions. Nowadays it seems quite unlikely that biological warfare will be employed in any military campaigns. However, the possibility remains that biological weapons may be used in acts of bioterrorism. In addition all diseases caused by biological weapons may also occur naturally or as a result of a laboratory accident. Risk assessment with regard to biological danger often proves to be difficult. In this context, an early identification of a potentially dangerous situation through experts is essential to limit the degree of damage.

  8. The association of 83 plasma proteins with CHD mortality, BMI, HDL-, and total-cholesterol in men: Applying multivariate statistics to identify proteins with prognostic value and biological relevance

    NARCIS (Netherlands)

    Geert Heidema, A.; Thissen, U.; Boer, J.M.A.; Bouwman, F.G.; Feskens, E.J.M.; Mariman, E.C.M.

    2009-01-01

    In this study, we applied the multivariate statistical tool Partial Least Squares (PLS) to analyze the relative importance of 83 plasma proteins in relation to coronary heart disease (CHD) mortality and the intermediate end points body mass index, HDL-cholesterol and total cholesterol. From a Dutch

  9. Simulation of the respiratory model of tract of Publication 66 of the ICRP and their use in biological analysis; Simulacion del modelo de tracto respiratorio de la Publicacion 66 de la ICRP y su utilizacion en bioanalisis

    Energy Technology Data Exchange (ETDEWEB)

    Puerta, A. [Universidad Nacional de Colombia, Medellin (Colombia). Facultad de Ciencias. Dept. de Fisica; Bertelli, L.; Lipsztein, J. [Instituto de Radioprotecao e Dosimetria (IRD), Rio de Janeiro, RJ (Brazil)

    2001-07-01

    The International Commission Radiological Protection, ICRP in its publications 67, 68, 69 and 71 provides the loss of systematic activity of the radioactive materials by the routes of excretion and recirculation, as well as effective dose by incorporation unit coefficient, using the model of respiratory tract proposed by the ICRP, in its Publication 66, but it does not provide information on as these models in biological analysis are used. There are some specific studies for inhalation of uranium compounds made by Bertelli and collaborators using the new model of the lung. In this work it have been done a simulation of the model of respiratory tract of ICRP 66 of such form that it can be used in-vitro and in-vivo biological analysis. In order to verify the simulation were used systemic models for adult of planuin, lead, uranium, bismuth and their respective descendants and the comparison with the coefficients of dose provided by the ICRP. Finally, it shows the estimation of the temporary distribution of activity in devices and the excrete of these radionuclides and in addition the model for gases and steam in the conditions is verified that the ICRP proposes.

  10. Simulation Study of Radiant Floor Heating Applied in the Station Hall with Large Space%地板辐射采暖在大空间候车厅应用的模拟研究

    Institute of Scientific and Technical Information of China (English)

    尹海文

    2015-01-01

    为说明地板辐射采暖在大空间候车站的应用可行性,简要介绍了地板辐射采暖的原理及特点,采用CFD技术对低温地板辐射采暖的铁路车站候车厅温度场和速度场进行数值模拟研究,通过分析室内空气温度梯度、地板表面温度、候车区的热舒适性(PMV)及不满意率(PPD),对候车厅等高大空间采用低温地板辐射采暖的设计方案进行验证,计算结果表明 PMV-PPD 满足国际标准ISO7730推荐值,说明地板辐射采暖在大空间建筑应用是一种较舒适的采暖方式。%In order to testify the feasibility of the radiant floor heating applied in the station hall with large space, the theory and characteristic of radiant floor is introduced and the CFD technique is employed to simulate the temperature and velocity distribution in a station hall with large space. The temperature gradient of indoor air, floor surface temperature, PMV and PPD are used to evaluate the effect of the design scheme. The simulation results show that the PMV-PPD can meet the recommended value of the international standard, ISO7730 and the radiant floor heating is suitable for the large space.

  11. Review of the fundamental theories behind small angle X-ray scattering, molecular dynamics simulations, and relevant integrated application

    Directory of Open Access Journals (Sweden)

    Lauren Boldon

    2015-02-01

    Full Text Available In this paper, the fundamental concepts and equations necessary for performing small angle X-ray scattering (SAXS experiments, molecular dynamics (MD simulations, and MD-SAXS analyses were reviewed. Furthermore, several key biological and non-biological applications for SAXS, MD, and MD-SAXS are presented in this review; however, this article does not cover all possible applications. SAXS is an experimental technique used for the analysis of a wide variety of biological and non-biological structures. SAXS utilizes spherical averaging to produce one- or two-dimensional intensity profiles, from which structural data may be extracted. MD simulation is a computer simulation technique that is used to model complex biological and non-biological systems at the atomic level. MD simulations apply classical Newtonian mechanics’ equations of motion to perform force calculations and to predict the theoretical physical properties of the system. This review presents several applications that highlight the ability of both SAXS and MD to study protein folding and function in addition to non-biological applications, such as the study of mechanical, electrical, and structural properties of non-biological nanoparticles. Lastly, the potential benefits of combining SAXS and MD simulations for the study of both biological and non-biological systems are demonstrated through the presentation of several examples that combine the two techniques.

  12. Applied physics: The virtues of tiling

    Science.gov (United States)

    Fratzl, Peter

    2014-12-01

    A cracked metal film on an elastic substrate has been shown to provide ultrahigh sensitivity in detecting mechanical vibrations. The result draws inspiration from principles of tiling that apply to many biological systems. See Letter p.222

  13. Qgui: A high-throughput interface for automated setup and analysis of free energy calculations and empirical valence bond simulations in biological systems.

    Science.gov (United States)

    Isaksen, Geir Villy; Andberg, Tor Arne Heim; Åqvist, Johan; Brandsdal, Bjørn Olav

    2015-07-01

    Structural information and activity data has increased rapidly for many protein targets during the last decades. In this paper, we present a high-throughput interface (Qgui) for automated free energy and empirical valence bond (EVB) calculations that use molecular dynamics (MD) simulations for conformational sampling. Applications to ligand binding using both the linear interaction energy (LIE) method and the free energy perturbation (FEP) technique are given using the estrogen receptor (ERα) as a model system. Examples of free energy profiles obtained using the EVB method for the rate-limiting step of the enzymatic reaction catalyzed by trypsin are also shown. In addition, we present calculation of high-precision Arrhenius plots to obtain the thermodynamic activation enthalpy and entropy with Qgui from running a large number of EVB simulations.

  14. IMMUNE ALGORITHM APPLIED TO RECONFIGURABLE MICROSTRIP ANTENNA SIMULATION DESIGN%适用于可重构微带天线仿真设计的免疫算法

    Institute of Scientific and Technical Information of China (English)

    李媛; 刘萍; 郭嘉

    2012-01-01

    By combining the commonly used MOM in antenna design with immune algorithm, the paper optimizes the design for reconfigurable antenna and analyzes the advantages of immune algorithm in reconfigurable antenna design. By absorbing research fruits on GA- based antenna, the paper applies immune algorithm to add MEMS switch to antenna structure for simulation, hence designs two microstrip dual-reconfigurable antennas that can not only carry out pattern scanning changes on a fixed frequency, but also realize frequency flexible changes on a fixed pattern.%将天线设计中常用的矩量法(MOM)与免疫算法相结合对可重构天线进行优化设计,分析免疫算法在可重构天线设计的优势.在归纳总结近几年基于遗传算法的天线的研究成果的基础上,通过免疫算法在天线结构中加入MEMS开关进行仿真计出两种既可以在固定频率点上进行方向图的扫描变化,又可以在特定的方向上实现频率灵活变化的微带双重可重构天线.

  15. Simulations in nanobiotechnology

    CERN Document Server

    Eom, Kilho

    2011-01-01

    Introduction to Simulations in NanobiotechnologyKilho EomSimulations in Biological SciencesModeling the Interface between Biological and Synthetic Components in Hybrid NanosystemsRogan Carr, Jeffrey Comer, and Aleksei AksimentievCoarse-Grained Modeling of Large Protein Complexes for Understanding Their Conformational DynamicsKilho Eom, Gwonchan Yoon, Jae In Kim, and Sungsoo NaContinuum Modeling and Simulation of Membrane ProteinsXi ChenExploring the Energy Landscape of Biopolymers U

  16. ADAM: Analysis of Discrete Models of Biological Systems Using Computer Algebra

    CERN Document Server

    Hinkelmann, Franziska; Guang, Bonny; McNeill, Rustin; Blekherman, Grigoriy; Veliz-Cuba, Alan; Laubenbacher, Reinhard

    2010-01-01

    Motivation: Many biological systems are modeled qualitatively with discrete models, such as probabilistic Boolean networks, logical models, bounded Petri nets, and agent-based models. Simulation is a common practice for analyzing discrete models, but many systems are far too large to capture all the relevant dynamical features through simulation alone. Results: We convert discrete models into algebraic models and apply tools from computational algebra to analyze their dynamics. The key feature of biological systems that is exploited by our algorithms is their sparsity: while the number of nodes in a biological network may be quite large, each node is affected only by a small number of other nodes. In our experience with models arising in systems biology and random models, this structure leads to fast computations when using algebraic models, and thus efficient analysis. Availability: All algorithms and methods are available in our package Analysis of Dynamic Algebraic Models (ADAM), a user friendly web-interf...

  17. Applied statistical thermodynamics

    CERN Document Server

    Lucas, Klaus

    1991-01-01

    The book guides the reader from the foundations of statisti- cal thermodynamics including the theory of intermolecular forces to modern computer-aided applications in chemical en- gineering and physical chemistry. The approach is new. The foundations of quantum and statistical mechanics are presen- ted in a simple way and their applications to the prediction of fluid phase behavior of real systems are demonstrated. A particular effort is made to introduce the reader to expli- cit formulations of intermolecular interaction models and to show how these models influence the properties of fluid sy- stems. The established methods of statistical mechanics - computer simulation, perturbation theory, and numerical in- tegration - are discussed in a style appropriate for newcom- ers and are extensively applied. Numerous worked examples illustrate how practical calculations should be carried out.

  18. Applied mechanics of solids

    CERN Document Server

    Bower, Allan F

    2009-01-01

    Modern computer simulations make stress analysis easy. As they continue to replace classical mathematical methods of analysis, these software programs require users to have a solid understanding of the fundamental principles on which they are based. Develop Intuitive Ability to Identify and Avoid Physically Meaningless Predictions Applied Mechanics of Solids is a powerful tool for understanding how to take advantage of these revolutionary computer advances in the field of solid mechanics. Beginning with a description of the physical and mathematical laws that govern deformation in solids, the text presents modern constitutive equations, as well as analytical and computational methods of stress analysis and fracture mechanics. It also addresses the nonlinear theory of deformable rods, membranes, plates, and shells, and solutions to important boundary and initial value problems in solid mechanics. The author uses the step-by-step manner of a blackboard lecture to explain problem solving methods, often providing...

  19. Institute for Multiscale Modeling of Biological Interactions

    Energy Technology Data Exchange (ETDEWEB)

    Paulaitis, Michael E; Garcia-Moreno, Bertrand; Lenhoff, Abraham

    2009-12-26

    The Institute for Multiscale Modeling of Biological Interactions (IMMBI) has two primary goals: Foster interdisciplinary collaborations among faculty and their research laboratories that will lead to novel applications of multiscale simulation and modeling methods in the biological sciences and engineering; and Building on the unique biophysical/biology-based engineering foundations of the participating faculty, train scientists and engineers to apply computational methods that collectively span multiple time and length scales of biological organization. The success of IMMBI will be defined by the following: Size and quality of the applicant pool for pre-doctoral and post-doctoral fellows; Academic performance; Quality of the pre-doctoral and post-doctoral research; Impact of the research broadly and to the DOE (ASCR program) mission; Distinction of the next career step for pre-doctoral and post-doctoral fellows; and Faculty collaborations that result from IMMBI activities. Specific details about accomplishments during the three years of DOE support for IMMBI have been documented in Annual Progress Reports (April 2005, June 2006, and March 2007) and a Report for a National Academy of Sciences Review (October 2005) that were submitted to DOE on the dates indicated. An overview of these accomplishments is provided.

  20. Computational biology

    DEFF Research Database (Denmark)

    Hartmann, Lars Røeboe; Jones, Neil; Simonsen, Jakob Grue

    2011-01-01

    Computation via biological devices has been the subject of close scrutiny since von Neumann’s early work some 60 years ago. In spite of the many relevant works in this field, the notion of programming biological devices seems to be, at best, ill-defined. While many devices are claimed or proved t...

  1. Integrated monitoring of chemicals and their effects on four sentinel species, Limanda limanda, Platichthys flesus, Nucella lapillus and Mytilus sp., in Seine Bay: A key step towards applying biological effects to monitoring.

    Science.gov (United States)

    Burgeot, Thierry; Akcha, Farida; Ménard, Dominique; Robinson, Craig; Loizeau, Véronique; Brach-Papa, Christophe; Martínez-Gòmez, Concepción; Le Goff, Jérémie; Budzinski, Hélène; Le Menach, Karine; Cachot, Jérome; Minier, Christophe; Broeg, Katja; Hylland, Ketil

    2017-03-01

    The International workshop on Integrated Assessment of CONtaminants impacts on the North sea (ICON) provided a framework to validate the application of chemical and biological assessment thresholds (BACs and EACs) in the Seine Bay in France. Bioassays (oyster larval anomalies, Corophium arenarium toxicity assay and DR Calux) for sediment and biomarkers: ethoxyresorufin-O-deethylase (EROD) activity, acetylcholinesterase (AChE) activity, lysosomal membrane stability (LMS), DNA strand breaks using the Comet assay, DNA adducts, micronucleus (MN), PAH metabolites, imposex, intersex and fish external pathologies were analysed in four marine sentinel species (Platichthys flesus, Limanda limanda, Mytilus sp. and Nucella lapilus). Polycyclic aromatic hydrocarbons (PAHs), polychlorinated biphenyls (PCBs) and heavy metals were analysed in biota and sediment. Results for sediment and four species in 2008-2009 made it possible to quantify the impact of contaminants using thresholds (Environmental Assessment Criteria/EAC2008: 70% and EAC2009: 60%) and effects (EAC2008: 50% and EAC2009: 40%) in the Seine estuary. The Seine estuary is ranked among Europe's most highly polluted sites.

  2. Molecular Docking, Molecular Dynamics Simulations, Computational Screening to Design Quorum Sensing Inhibitors Targeting LuxP of Vibrio harveyi and Its Biological Evaluation.

    Science.gov (United States)

    Rajamanikandan, Sundaraj; Jeyakanthan, Jeyaraman; Srinivasan, Pappu

    2017-01-01

    Quorum sensing (QS) plays an important role in the biofilm formation, production of virulence factors and stress responses in Vibrio harveyi. Therefore, interrupting QS is a possible approach to modulate bacterial behavior. In the present study, three docking protocols, such as Rigid Receptor Docking (RRD), Induced Fit Docking (IFD), and Quantum Polarized Ligand Docking (QPLD) were used to elucidate the binding mode of boronic acid derivatives into the binding pocket of LuxP protein in V. harveyi. Among the three docking protocols, IFD accurately predicted the correct binding mode of the studied inhibitors. Molecular dynamics (MD) simulations of the protein-ligand complexes indicates that the inter-molecular hydrogen bonds formed between the protein and ligand complex remains stable during the simulation time. Pharmacophore and shape-based virtual screening were performed to find selective and potent compounds from ChemBridge database. Five hit compounds were selected and subjected to IFD and MD simulations to validate the binding mode. In addition, enrichment calculation was performed to discriminate and separate active compounds from the inactive compounds. Based on the computational studies, the potent Bicyclo [2.2.1] hept-5-ene-2,3-dicarboxylic acid-2,6-dimethylpyridine 1-oxide (ChemBridge_5144368) was selected for in vitro assays. The compound exhibited dose dependent inhibition in bioluminescence and also inhibits biofilm formation in V. harveyi to the level of 64.25 %. The result from the study suggests that ChemBridge_5144368 could serve as an anti-quorum sensing molecule for V. harveyi.

  3. Atribuição de significados biológicos às variáveis da equação logística: uma aplicação do Cálculo nas Ciências Biológicas Attribution of biological meanings to variables of logistic equation: applying Calculus to Biology

    Directory of Open Access Journals (Sweden)

    Lilian Akemi Kato

    2009-01-01

    Full Text Available Este artigo apresenta, como objetivo principal, uma proposta metodológica para o ensino do Cálculo nos cursos de Ciências Biológicas, que privilegia a atribuição de significados biológicos às variáveis e parâmetros que aparecem nos modelos matemáticos no estudo de dinâmica de populações. Utilizou-se, neste estudo, a equação logística como modelo matemático que caracteriza diversos tipos de crescimento populacional, além de apresentar outras complexidades do fenômeno biológico que podem ser melhor caracterizadas e explicadas por meio dos conceitos matemáticos relacionados ao Cálculo Diferencial. Entende-se que estas relações do Cálculo com as Ciências Biológicas contribuem para a compreensão de fenômenos biológicos complexos que podem ser explicados por equações matemáticas bastante simples.A methodological proposal for the teaching of Calculus in Biology courses is suggested. It would highlight the attribution of biological meanings to variables and parameters in mathematical models within the study of population dynamics. Logistic equations have been used as a mathematical model that characterizes several types of population growth and other complexities of the biological phenomenon which may be better explained through mathematical concepts related to Differential Calculus. Relationship between Calculus and Biology may contribute towards the comprehension of complex biological phenomena that may be explained through simple mathematical equations.

  4. X射线源的静电自会聚电子枪的计算机模拟%Simulation of Electrostatic Self-Focusing Lanthanum Hexaboride Electron Gun Applied in X-Ray Source

    Institute of Scientific and Technical Information of China (English)

    于海波; 林祖伦; 祁康成; 曹贵川; 王小菊

    2015-01-01

    High power, high current density, fine focus X-ray sources are widely used in the field of industrial nondestructive testing, medical imaging, security technology, and so on. An electrostatic self-focusing lanthanum hexaboride electron gun applied in X-ray source is designed using electron beam simulation (EBS) software. The electron gun consists of three parts: a lanthanum hexaboride thermionic emitter, a focusing electrode with a trapezoidal focusing groove and a rectangular hole, and an anode. The simulated results show that the inclination angle of focusing electrode has strong influence on electron focusing property and the best inclination angle is 46°. The anode current and the uniformity of the distribution are decreased with increasing the distance between the gate and cathode, and the best distance between the gate and cathode value is 0.3 mm.%高功率、大电流密度、细聚焦X射线源在工业无损探伤、医学成像、安全技术等领域具有广泛的应用。本文设计了一种用于X射线管的静电自会聚电子枪,该电子枪包括三部分:LaB6热阴极发射体、带有矩形孔和斜槽的聚焦极、阳极。采用EBS粒子束模拟软件对该电子枪的结构进行了模拟仿真。仿真结果表明:电子枪的聚焦能力主要取决于聚焦极倾角,当聚焦极倾角为46°时,达到理想的电子束聚焦效果;随着阴栅距的增加,阳极电流以及束斑电流分布均匀性显著降低,当阴栅距为0.3 mm,可在工艺条件允许下,得到具有较大阳极电流以及理想电流分布的电子束。

  5. Biological Oceanography

    Science.gov (United States)

    Dyhrman, Sonya

    2004-10-01

    The ocean is arguably the largest habitat on the planet, and it houses an astounding array of life, from microbes to whales. As a testament to this diversity and its importance, the discipline of biological oceanography spans studies of all levels of biological organization, from that of single genes, to organisms, to their population dynamics. Biological oceanography also includes studies on how organisms interact with, and contribute to, essential global processes. Students of biological oceanography are often as comfortable looking at satellite images as they are electron micrographs. This diversity of perspective begins the textbook Biological Oceanography, with cover graphics including a Coastal Zone Color Scanner image representing chlorophyll concentration, an electron micrograph of a dinoflagellate, and a photograph of a copepod. These images instantly capture the reader's attention and illustrate some of the different scales on which budding oceanographers are required to think. Having taught a core graduate course in biological oceanography for many years, Charlie Miller has used his lecture notes as the genesis for this book. The text covers the subject of biological oceanography in a manner that is targeted to introductory graduate students, but it would also be appropriate for advanced undergraduates.

  6. Quantum Biology

    Directory of Open Access Journals (Sweden)

    Alessandro Sergi

    2009-06-01

    Full Text Available A critical assessment of the recent developmentsof molecular biology is presented.The thesis that they do not lead to a conceptualunderstanding of life and biological systems is defended.Maturana and Varela's concept of autopoiesis is briefly sketchedand its logical circularity avoided by postulatingthe existence of underlying living processes,entailing amplification from the microscopic to the macroscopic scale,with increasing complexity in the passage from one scale to the other.Following such a line of thought, the currently accepted model of condensed matter, which is based on electrostatics and short-ranged forces,is criticized. It is suggested that the correct interpretationof quantum dispersion forces (van der Waals, hydrogen bonding, and so onas quantum coherence effects hints at the necessity of includinglong-ranged forces (or mechanisms for them incondensed matter theories of biological processes.Some quantum effects in biology are reviewedand quantum mechanics is acknowledged as conceptually important to biology since withoutit most (if not all of the biological structuresand signalling processes would not even exist. Moreover, it is suggested that long-rangequantum coherent dynamics, including electron polarization,may be invoked to explain signal amplificationprocess in biological systems in general.

  7. Foldit Biology

    Science.gov (United States)

    2015-07-31

    Report 8/1/2013-7/31/2015 4. TITLE AND SUBTITLE Sa. CONTRACT NUMBER Foldit Biology NOOO 14-13-C-0221 Sb. GRANT NUMBER N/A Sc. PROGRAM ELEMENT...Include area code) Unclassified Unclassified Unclassified (206) 616-2660 Zoran Popović Foldit Biology (Task 1, 2, 3, 4) Final Report...Period Covered by the Report August 1, 2013 – July 31, 2015 Date of Report: July 31, 2015 Project Title: Foldit Biology Contract Number: N00014-13

  8. Kinetic Modeling of Biological Systems

    Energy Technology Data Exchange (ETDEWEB)

    Resat, Haluk; Petzold, Linda; Pettigrew, Michel F.

    2009-04-21

    The dynamics of how its constituent components interact define the spatio-temporal response of a natural system to stimuli. Modeling the kinetics of the processes that represent a biophysical system has long been pursued with the aim of improving our understanding of the studied system. Due to the unique properties of biological systems, in addition to the usual difficulties faced in modeling the dynamics of physical or chemical systems, biological simulations encounter difficulties that result from intrinsic multiscale and stochastic nature of the biological processes. This chapter discusses the implications for simulation of models involving interacting species with very low copy numbers, which often occur in biological systems and give rise to significant relative fluctuations. The conditions necessitating the use of stochastic kinetic simulation methods and the mathematical foundations of the stochastic simulation algorithms are presented. How the well-organized structural hierarchies often seen in biological systems can lead to multiscale problems, and possible ways to address the encountered computational difficulties are discussed. We present the details of the existing kinetic simulation methods, and discuss their strengths and shortcomings. A list of the publicly available kinetic simulation tools and our reflections for future prospects are also provided.

  9. "Heart-cut" bidimensional achiral-chiral liquid chromatography applied to the evaluation of stereoselective metabolism, in vivo biological activity and brain response to chiral drug candidates targeting the central nervous system.

    Science.gov (United States)

    Battisti, Umberto M; Citti, Cinzia; Larini, Martina; Ciccarella, Giuseppe; Stasiak, Natalia; Troisi, Luigino; Braghiroli, Daniela; Parenti, Carlo; Zoli, Michele; Cannazza, Giuseppe

    2016-04-22

    A "heart-cut" two-dimensional achiral-chiral liquid chromatography triple-quadrupole mass spectrometry method (LC-LC-MS/MS) was developed and coupled to in vivo cerebral microdialysis to evaluate the brain response to the chiral compound (±)-7-chloro-5-(3-furanyl)-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1-dioxide ((±)-1), a potent positive allosteric modulator (PAM) of AMPA receptor. The method was successfully employed to evaluate also its stereoselective metabolism and in vitro biological activity. In particular, the LC achiral method developed, employs a pentafluorinated silica based column (Discovery HS-F5) to separate dopamine, acetylcholine, serotonin, (±)-1 and its two hepatic metabolites. In the "heart-cut" two-dimension achiral-chiral configuration, (±)-1 and (±)-1-d4 eluted from the achiral column (1st dimension), were transferred to a polysaccharide-based chiral column (2nd dimension, Chiralcel OD-RH) by using an automatic six-port valve. Single enantiomers of (±)-1 were separated and detected using electrospray positive ionization mode and quantified in selected reaction monitoring mode. The method was validated and showed good performance in terms of linearity, accuracy and precision. The new method employed showed several possible applications in the evaluation of: (a) brain response to neuroactive compounds by measuring variations in the brain extracellular levels of selected neurotransmitters and other biomarkers; (b) blood brain barrier penetration of drug candidates by measuring the free concentration of the drug in selected brain areas; (c) the presence of drug metabolites in the brain extracellular fluid that could prove very useful during drug discovery; (d) a possible stereoselective metabolization or blood brain barrier stereoselective crossing of chiral drugs. Finally, compared to the methods reported in the literature, this technique avoids the necessity of euthanizing an animal at each time point to measure drug

  10. TU-EF-304-10: Efficient Multiscale Simulation of the Proton Relative Biological Effectiveness (RBE) for DNA Double Strand Break (DSB) Induction and Bio-Effective Dose in the FLUKA Monte Carlo Radiation Transport Code

    Energy Technology Data Exchange (ETDEWEB)

    Moskvin, V; Tsiamas, P; Axente, M; Farr, J [St. Jude Children’s Research Hospital, Memphis, TN (United States); Stewart, R [University of Washington, Seattle, WA. (United States)

    2015-06-15

    Purpose: One of the more critical initiating events for reproductive cell death is the creation of a DNA double strand break (DSB). In this study, we present a computationally efficient way to determine spatial variations in the relative biological effectiveness (RBE) of proton therapy beams within the FLUKA Monte Carlo (MC) code. Methods: We used the independently tested Monte Carlo Damage Simulation (MCDS) developed by Stewart and colleagues (Radiat. Res. 176, 587–602 2011) to estimate the RBE for DSB induction of monoenergetic protons, tritium, deuterium, hellium-3, hellium-4 ions and delta-electrons. The dose-weighted (RBE) coefficients were incorporated into FLUKA to determine the equivalent {sup 6}°60Co γ-ray dose for representative proton beams incident on cells in an aerobic and anoxic environment. Results: We found that the proton beam RBE for DSB induction at the tip of the Bragg peak, including primary and secondary particles, is close to 1.2. Furthermore, the RBE increases laterally to the beam axis at the area of Bragg peak. At the distal edge, the RBE is in the range from 1.3–1.4 for cells irradiated under aerobic conditions and may be as large as 1.5–1.8 for cells irradiated under anoxic conditions. Across the plateau region, the recorded RBE for DSB induction is 1.02 for aerobic cells and 1.05 for cells irradiated under anoxic conditions. The contribution to total effective dose from secondary heavy ions decreases with depth and is higher at shallow depths (e.g., at the surface of the skin). Conclusion: Multiscale simulation of the RBE for DSB induction provides useful insights into spatial variations in proton RBE within pristine Bragg peaks. This methodology is potentially useful for the biological optimization of proton therapy for the treatment of cancer. The study highlights the need to incorporate spatial variations in proton RBE into proton therapy treatment plans.

  11. Practical biological spread-out Bragg peak design of carbon beam

    CERN Document Server

    Kim, Chang Hyeuk; Chang, Seduk; Jang, Hong Suk; Kim, Jeong Hwan; Park, Dong Wook; Hwang, Won Taek; Yang, Tea-Keun

    2015-01-01

    The carbon beams show more advantages on the biological properties compared with proton beams in radiation therapy. The carbon beam shows high linear energy transfer (LET) to medium and it increases the relative biological effectiveness (RBE). To design spread-out Bragg peak (SOBP) of biological dose using carbon beam, a practical method was purposed by using the linear-quadratic (LQ) model and Geant4 based Monte Carlo simulation code. The various Bragg peak profiles and LET was calculated for each slice at the target region. To generate appropriate biological SOBP, a set of weighting factor, which is a power function in terms of energy step, was applied to the obtained each physical dose. The designed biological SOBP showed 1.34 % of uniformity.

  12. Simulation tools

    CERN Document Server

    Jenni, F

    2006-01-01

    In the last two decades, simulation tools made a significant contribution to the great progress in development of power electronics. Time to market was shortened and development costs were reduced drastically. Falling costs, as well as improved speed and precision, opened new fields of application. Today, continuous and switched circuits can be mixed. A comfortable number of powerful simulation tools is available. The users have to choose the best suitable for their application. Here a simple rule applies: The best available simulation tool is the tool the user is already used to (provided, it can solve the task). Abilities, speed, user friendliness and other features are continuously being improved—even though they are already powerful and comfortable. This paper aims at giving the reader an insight into the simulation of power electronics. Starting with a short description of the fundamentals of a simulation tool as well as properties of tools, several tools are presented. Starting with simplified models ...

  13. 五种土壤处理除草剂对刺萼龙葵的生物活性研究%Study on the Biological Activity of 5 Soil-applied Herbicides Against Solanum rostratum

    Institute of Scientific and Technical Information of China (English)

    张少逸; 张朝贤; 王金信; 黄红娟; 张建华; 曹坳程; 魏守辉

    2012-01-01

    To screen for safe and effective soil-applied herbicides to prevent and control of buffalobur, pot experiments were conducted to evaluate the control effect of 5 preemergent herbicides against buffalobur, and greenhouse bioassay were further conducted for the herbicides with better control effects. The results showed that the tox-icity of acetochlor was the highest, while that of pendimethalin was the lowest, the ED90 were 41. 43 and 748. 56 g a. i. /hm2 , respectively. The order of toxicity was acetochlor > clomazone > alachlor > s-metolachlor > pendimethalin. Based on consideration of herbicidal activity and recommended rate, the 5 herbicides could be used to control buffalobur at lower dose than recommended.%为筛选防治刺萼龙葵的安全、高效的土壤处理除草剂,采用温室盆栽法对5种土壤处理除草剂进行了室内生物测定.结果表明,乙草胺对刺萼龙葵活性最高,ED90为41.43 g a.i./hm2;二甲戊灵最低,ED90为748.56 g a.i./hm2.5种除草剂ED90由高到低的顺序为乙草胺>异噁草松>甲草胺>精异丙甲草胺>二甲戊灵.综合考虑药剂活性及其推荐剂量,乙草胺、异噁草松、甲草胺、精异丙甲草胺和二甲戊灵均可在低于推荐剂量下用于防除刺萼龙葵.

  14. Kriging metamodeling for simulation

    NARCIS (Netherlands)

    van Beers, W.C.M.

    2005-01-01

    Many scientific disciplines use mathematical models to describe complicated real systems. Often, analytical methods are inadequate, so simulation is applied. This thesis focuses on computer intensive simulation experiments in Operations Research/Management Science. For such experiments it is necessa

  15. Identification of curcumin derivatives as human glyoxalase I inhibitors: A combination of biological evaluation, molecular docking, 3D-QSAR and molecular dynamics simulation studies.

    Science.gov (United States)

    Yuan, Minggui; Luo, Minxian; Song, Yao; Xu, Qiu; Wang, Xiaofeng; Cao, Yi; Bu, Xianzhang; Ren, Yanliang; Hu, Xiaopeng

    2011-02-01

    Several recent developments suggest that the human glyoxalase I (GLO I) is a potential target for anti-tumor drug development. In present study, a series of curcumin derivatives with high inhibitory activity against human GLO I were discovered. Inhibition constant (K(i)) values of compounds 8, 9, 10, 11 and 13 to GLO I are 4.600μM, 2.600μM, 3.200μM, 3.600μM and 3.600μM, respectively. To elucidate the structural features of potent inhibitors, docking-based three-dimensional structure-activity relationship (3D-QSAR) analyses were performed. Satisfactory agreement between experiment and theory suggests that comparative molecular similarity index analysis (CoMSIA) modeling exhibit much better correlation and predictive power. The cross-validated q(2) value is 0.638 while no-validation r(2) value is 0.930. Integrated with docking-based 3D-QSAR CoMSIA modeling, molecular surface property (electrostatic and steric) mapping and molecular dynamics simulation, a set of receptor-ligand binding models and bio-affinity predictive models for rational design of more potent inhibitors of GLO I are established.

  16. Simulated influence of postweaning production system on performance of different biological types of cattle: II. Carcass composition, retail product, and quality.

    Science.gov (United States)

    Williams, C B; Bennett, G L; Keele, J W

    1995-03-01

    A computer simulation model was used to characterize the response in carcass composition, retail product, and quality of steers from F1 crosses of 16 sire breeds (Hereford, Angus, Jersey, South Devon, Limousin, Simmental, Charolais, Red Poll, Brown Swiss, Gelbvieh, Maine Anjou, Chianina, Brahman, Sahiwal, Pinzgauer, and Tarentaise) mated to Hereford and Angus dams, grown under nine backgrounding systems, and finished at either a low (1.0 kg) or high (1.36 kg) ADG. The backgrounding systems were a high ADG (.9 kg) for 111, 167, or 222 d, a medium ADG (.5 kg) for 200, 300, or 400 d, a low ADG (.25 kg) for 300 or 400 d and 0 d backgrounding. For specific genotype x production system combinations, results showed that carcasses of compensating steers may be either leaner, not different in fatness, or fatter than carcasses of steers put on a finishing diet directly after weaning. Systems in which steers gained a greater proportion of the final slaughter weight over long durations of growth restriction resulted in leaner carcasses. There were 12 common production systems in which 13 of the genotypes produced a carcass with a maximum of 28% fat or with a marbling score of 11 or greater. These results suggest sire breeds used to produce these steers can be used over a wide range of nutritional and management environments, and that a mixed group of steers can be fed and managed similarly from weaning to slaughter to produce a carcass with a specified composition, retail product, or quality.

  17. Drug Delivery Through the Skin: Molecular Simulations of Barrier Lipids to Design more Effective Noninvasive Dermal and Transdermal Delivery Systems for Small Molecules Biologics and Cosmetics

    Energy Technology Data Exchange (ETDEWEB)

    J Torin Huzil; S Sivaloganathan; M Kohandel; M Foldvari

    2011-12-31

    The delivery of drugs through the skin provides a convenient route of administration that is often preferable to injection because it is noninvasive and can typically be self-administered. These two factors alone result in a significant reduction of medical complications and improvement in patient compliance. Unfortunately, a significant obstacle to dermal and transdermal drug delivery alike is the resilient barrier that the epidermal layers of the skin, primarily the stratum corneum, presents for the diffusion of exogenous chemical agents. Further advancement of transdermal drug delivery requires the development of novel delivery systems that are suitable for modern, macromolecular protein and nucleotide therapeutic agents. Significant effort has already been devoted to obtain a functional understanding of the physical barrier properties imparted by the epidermis, specifically the membrane structures of the stratum corneum. However, structural observations of membrane systems are often hindered by low resolutions, making it difficult to resolve the molecular mechanisms related to interactions between lipids found within the stratum corneum. Several models describing the molecular diffusion of drug molecules through the stratum corneum have now been postulated, where chemical permeation enhancers are thought to disrupt the underlying lipid structure, resulting in enhanced permeability. Recent investigations using biphasic vesicles also suggested a possibility for novel mechanisms involving the formation of complex polymorphic lipid phases. In this review, we discuss the advantages and limitations of permeation-enhancing strategies and how computational simulations, at the atomic scale, coupled with physical observations can provide insight into the mechanisms of diffusion through the stratum corneum.

  18. Surface-water quantity and quality, aquatic biology, stream geomorphology, and groundwater-flow simulation for National Guard Training Center at Fort Indiantown Gap, Pennsylvania, 2002-05

    Science.gov (United States)

    Langland, Michael J.; Cinotto, Peter J.; Chichester, Douglas C.; Bilger, Michael D.; Brightbill, Robin A.

    2010-01-01

    Base-line and long-term monitoring of water resources of the National Guard Training Center at Fort Indiantown Gap in south-central Pennsylvania began in 2002. Results of continuous monitoring of streamflow and turbidity and monthly and stormflow water-quality samples from two continuous-record long-term stream sites, periodic collection of water-quality samples from five miscellaneous stream sites, and annual collection of biological data from 2002 to 2005 at 27 sites are discussed. In addition, results from a stream-geomorphic analysis and classification and a regional groundwater-flow model are included. Streamflow at the facility was above normal for the 2003 through 2005 water years and extremely high-flow events occurred in 2003 and in 2004. Water-quality samples were analyzed for nutrients, sediments, metals, major ions, pesticides, volatile and semi-volatile organic compounds, and explosives. Results indicated no exceedances for any constituent (except iron) above the primary and secondary drinking-water standards or health-advisory levels set by the U.S. Environmental Protection Agency. Iron concentrations were naturally elevated in the groundwater within the watershed because of bedrock lithology. The majority of the constituents were at or below the method detection limit. Sediment loads were dominated by precipitation due to the remnants of Hurricane Ivan in September 2004. More than 60 percent of the sediment load measured during the entire study was transported past the streamgage in just 2 days during that event. Habitat and aquatic-invertebrate data were collected in the summers of 2002-05, and fish data were collected in 2004. Although 2002 was a drought year, 2003-05 were above-normal flow years. Results indicated a wide diversity in invertebrates, good numbers of taxa (distinct organisms), and on the basis of a combination of metrics, the majority of the 27 sites indicated no or slight impairment. Fish-metric data from 25 sites indicated results

  19. Desarrollo de un Simulador de Secado para Materiales Biológicos Development of a Simulation Model for Drying Biological Materials

    Directory of Open Access Journals (Sweden)

    R. Olivas-Vargas

    2004-01-01

    Full Text Available En este artículo, se proponen dos modelos para describir el proceso de secado y el deterioro que ocurre en el procesamiento de materiales biológicos, partiendo de datos experimentales. El estudio fue desarrollado utilizando chile jalapeño (Capsicum annuum L. y manzana en rebanadas como materias primas. El deterioro fue evaluado mediante cambio en la capacidad de rehidratación en chile jalapeño y cambios en el color en manzana. El modelo de secado propuesto se utilizó con las ecuaciones clásicas usadas en esta operación unitaria para predecir el tiempo de proceso. Tomando estos modelos, se desarrolló un software de análisis y predicción de los balances de masa y energía, como una herramienta de utilidad en el escalamiento o diseño de sistemas de secado, así como el daño que el material va a sufrir. El software desarrollado tuvo un excelente desempeño en materiales que muestran poca dispersión de los datos experimentalesTwo models, based on experimental data, that describe the process of drying and the deterioration that occurs during the processing of biological materials, are proposed in this article. Jalapeño pepper (Capsicum annuum L. and apple slices were used for generation of experimental data. Rehydration capability on jalapeño pepper and color changes on apple slices were used for measurement of deterioration. The proposed drying model was used with the classic equations this unit operation to predict the processing time. Based on these models, a computer program for the analysis and prediction of the mass and energy balances was developed as a useful tool in the scaling or design of the drying systems, as well as the damage that the material will suffer. The software developed showed an excellent performance when experimental data have low dispersion

  20. 情景式模拟教学在急诊教学中的应用效果研究%Study on the effect of applying scene simulation in clinical teaching of emergency medicine

    Institute of Scientific and Technical Information of China (English)

    苟君臣; 汪庆; 徐春梅; 马杰; 付成; 陈安海

    2015-01-01

    Objective To investigate effect of scene simulation in clinical teaching of emergency medicine.Methods 90 ca-ses of medical staff in department of emergency were randomly divided into experimental group and control group, with 45 cases each. The teaching method of 3 hours training on first aid knowledge and skills was applied in experimental group, and then they were divided into groups of 5, simulated the process of different emergency scene for rescuing critical patients that designed by the supervisor.The control group was trained with traditional teaching mode, in which the supervisor as the leading and students play the passive role.Af-ter the internship in emergency department, test performance, practice assessment results and clinical information feedback were com-pared between the two groups.Results The mean scores of test performance of experimental group and control group were(92.98 ± 2.71) and (85.29 ±6.24), respectively.The difference between two groups were statistically significantly(t=4.999,P<0.05). Experimental group was given 6 good in practice assessment, and control group was given 1 good and 5 bad.43 good and 2 medium were given to experimental group in clinical information feedback, and 26 good, 10 medium, 9 bad were given to control group.The difference between two groups were statistically significantly(Z=-4.275,P<0.01).Conclusions Scene simulation teaching mode can improve first aid skills, communication ability, teamwork spirit of clinical emergency medical staff, aiming to meet further needs of modern emergency teaching, so it is worthy of being popularized and applied clinically.%目的:探讨情景式模拟教学在急诊实习医护人员教学中的应用效果。方法急诊科实习医护人员90名随机分为实验组和对照组,每组45名。实验组教学方法为急救知识及技能培训3学时,然后由导师设计不同危重患者抢救现场,实习医护人员5人一组,演练抢救流程;对照组采用