WorldWideScience

Sample records for theoretical analyses predict

  1. A theoretical framework for analysing preschool teaching

    DEFF Research Database (Denmark)

    Chaiklin, Seth

    2014-01-01

    This article introduces a theoretical framework for analysing preschool teaching as a historically-grounded societal practice. The aim is to present a unified framework that can be used to analyse and compare both historical and contemporary examples of preschool teaching practice within and across...... national traditions. The framework has two main components, an analysis of preschool teaching as a practice, formed in relation to societal needs, and an analysis of the categorical relations which necessarily must be addressed in preschool teaching activity. The framework is introduced and illustrated...... through the analysis of one of the earliest recorded examples of preschool education (initiated by J. F. Oberlin in northeastern France in 1767). The general idea of societal need is elaborated as a way of analysing practices, and a general analytic schema is presented for characterising preschool...

  2. Using meta-analytic path analysis to test theoretical predictions in health behavior: An illustration based on meta-analyses of the theory of planned behavior.

    Science.gov (United States)

    Hagger, Martin S; Chan, Derwin K C; Protogerou, Cleo; Chatzisarantis, Nikos L D

    2016-08-01

    Synthesizing research on social cognitive theories applied to health behavior is an important step in the development of an evidence base of psychological factors as targets for effective behavioral interventions. However, few meta-analyses of research on social cognitive theories in health contexts have conducted simultaneous tests of theoretically-stipulated pattern effects using path analysis. We argue that conducting path analyses of meta-analytic effects among constructs from social cognitive theories is important to test nomological validity, account for mediation effects, and evaluate unique effects of theory constructs independent of past behavior. We illustrate our points by conducting new analyses of two meta-analyses of a popular theory applied to health behaviors, the theory of planned behavior. We conducted meta-analytic path analyses of the theory in two behavioral contexts (alcohol and dietary behaviors) using data from the primary studies included in the original meta-analyses augmented to include intercorrelations among constructs and relations with past behavior missing from the original analysis. Findings supported the nomological validity of the theory and its hypotheses for both behaviors, confirmed important model processes through mediation analysis, demonstrated the attenuating effect of past behavior on theory relations, and provided estimates of the unique effects of theory constructs independent of past behavior. Our analysis illustrates the importance of conducting a simultaneous test of theory-stipulated effects in meta-analyses of social cognitive theories applied to health behavior. We recommend researchers adopt this analytic procedure when synthesizing evidence across primary tests of social cognitive theories in health. Copyright © 2016 Elsevier Inc. All rights reserved.

  3. Theoretical and computational analyses of LNG evaporator

    Science.gov (United States)

    Chidambaram, Palani Kumar; Jo, Yang Myung; Kim, Heuy Dong

    2017-04-01

    Theoretical and numerical analysis on the fluid flow and heat transfer inside a LNG evaporator is conducted in this work. Methane is used instead of LNG as the operating fluid. This is because; methane constitutes over 80% of natural gas. The analytical calculations are performed using simple mass and energy balance equations. The analytical calculations are made to assess the pressure and temperature variations in the steam tube. Multiphase numerical simulations are performed by solving the governing equations (basic flow equations of continuity, momentum and energy equations) in a portion of the evaporator domain consisting of a single steam pipe. The flow equations are solved along with equations of species transport. Multiphase modeling is incorporated using VOF method. Liquid methane is the primary phase. It vaporizes into the secondary phase gaseous methane. Steam is another secondary phase which flows through the heating coils. Turbulence is modeled by a two equation turbulence model. Both the theoretical and numerical predictions are seen to match well with each other. Further parametric studies are planned based on the current research.

  4. Theoretical behaviorism meets embodied cognition : Two theoretical analyses of behavior

    NARCIS (Netherlands)

    Keijzer, F.A.

    2005-01-01

    This paper aims to do three things: First, to provide a review of John Staddon's book Adaptive dynamics: The theoretical analysis of behavior. Second, to compare Staddon's behaviorist view with current ideas on embodied cognition. Third, to use this comparison to explicate some outlines for a

  5. Theoretical Analyses of Superconductivity in Iron Based ...

    African Journals Online (AJOL)

    fire7-

    The microscopic understanding of the phenomenon, however, was not given due attention until the formulation of the superconductivity theory by. Bardeen, Cooper and Schrieffer in 1957(BCS) who provided a microscopic theoretical analysis suitable for describing the observed superconducting state (Bardeen et al., 1957).

  6. Theoretical analyses of superconductivity in iron based ...

    African Journals Online (AJOL)

    This paper focuses on the theoretical analysis of superconductivity in iron based superconductor Ba1−xKxFe2As2. After reviewing the current findings on this system, we suggest that phononexciton combined mechanism gives a right order of superconducting transition temperature (TC) for Ba1−xKxFe2As2 . By developing ...

  7. Using meta-analytic path analysis to test theoretical predictions in health behavior: An illustration based on meta-analyses of the theory of planned behavior

    National Research Council Canada - National Science Library

    Hagger, Martin S; Chan, Derwin K C; Protogerou, Cleo; Chatzisarantis, Nikos L D

    2016-01-01

    ... unique effects of theory constructs independent of past behavior. We illustrate our points by conducting new analyses of two meta-analyses of a popular theory applied to health behaviors, the theory of planned behavior...

  8. Theoretical predictions for exotic hadrons

    Energy Technology Data Exchange (ETDEWEB)

    Barnes, T. [Oak Ridge National Lab., TN (United States). Computational and Theoretical Physics Group]|[Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy

    1996-12-31

    In this contribution the authors discuss current theoretical expectations for the properties of light meson exotica, which are meson resonances outside the q{anti q} quark model. Specifically they discuss expectations for gluonic hadrons (glueballs and hybrids) and multiquark systems (molecules). Experimental candidates for these states are summarized, and the relevance of a TCF to these studies is stressed.

  9. A theoretical model for analysing gender bias in medicine

    Directory of Open Access Journals (Sweden)

    Johansson Eva E

    2009-08-01

    Full Text Available Abstract During the last decades research has reported unmotivated differences in the treatment of women and men in various areas of clinical and academic medicine. There is an ongoing discussion on how to avoid such gender bias. We developed a three-step-theoretical model to understand how gender bias in medicine can occur and be understood. In this paper we present the model and discuss its usefulness in the efforts to avoid gender bias. In the model gender bias is analysed in relation to assumptions concerning difference/sameness and equity/inequity between women and men. Our model illustrates that gender bias in medicine can arise from assuming sameness and/or equity between women and men when there are genuine differences to consider in biology and disease, as well as in life conditions and experiences. However, gender bias can also arise from assuming differences when there are none, when and if dichotomous stereotypes about women and men are understood as valid. This conceptual thinking can be useful for discussing and avoiding gender bias in clinical work, medical education, career opportunities and documents such as research programs and health care policies. Too meet the various forms of gender bias, different facts and measures are needed. Knowledge about biological differences between women and men will not reduce bias caused by gendered stereotypes or by unawareness of health problems and discrimination associated with gender inequity. Such bias reflects unawareness of gendered attitudes and will not change by facts only. We suggest consciousness-rising activities and continuous reflections on gender attitudes among students, teachers, researchers and decision-makers.

  10. Modeling theoretical uncertainties in phenomenological analyses for particle physics

    Energy Technology Data Exchange (ETDEWEB)

    Charles, Jerome [CNRS, Aix-Marseille Univ, Universite de Toulon, CPT UMR 7332, Marseille Cedex 9 (France); Descotes-Genon, Sebastien [CNRS, Univ. Paris-Sud, Universite Paris-Saclay, Laboratoire de Physique Theorique (UMR 8627), Orsay Cedex (France); Niess, Valentin [CNRS/IN2P3, UMR 6533, Laboratoire de Physique Corpusculaire, Aubiere Cedex (France); Silva, Luiz Vale [CNRS, Univ. Paris-Sud, Universite Paris-Saclay, Laboratoire de Physique Theorique (UMR 8627), Orsay Cedex (France); Univ. Paris-Sud, CNRS/IN2P3, Universite Paris-Saclay, Groupe de Physique Theorique, Institut de Physique Nucleaire, Orsay Cedex (France); J. Stefan Institute, Jamova 39, P. O. Box 3000, Ljubljana (Slovenia)

    2017-04-15

    The determination of the fundamental parameters of the Standard Model (and its extensions) is often limited by the presence of statistical and theoretical uncertainties. We present several models for the latter uncertainties (random, nuisance, external) in the frequentist framework, and we derive the corresponding p values. In the case of the nuisance approach where theoretical uncertainties are modeled as biases, we highlight the important, but arbitrary, issue of the range of variation chosen for the bias parameters. We introduce the concept of adaptive p value, which is obtained by adjusting the range of variation for the bias according to the significance considered, and which allows us to tackle metrology and exclusion tests with a single and well-defined unified tool, which exhibits interesting frequentist properties. We discuss how the determination of fundamental parameters is impacted by the model chosen for theoretical uncertainties, illustrating several issues with examples from quark flavor physics. (orig.)

  11. Theoretical modeling and experimental analyses of laminated wood composite poles

    Science.gov (United States)

    Cheng Piao; Todd F. Shupe; Vijaya Gopu; Chung Y. Hse

    2005-01-01

    Wood laminated composite poles consist of trapezoid-shaped wood strips bonded with synthetic resin. The thick-walled hollow poles had adequate strength and stiffness properties and were a promising substitute for solid wood poles. It was necessary to develop theoretical models to facilitate the manufacture and future installation and maintenance of this novel...

  12. Theoretical prediction of properties of aliphatic polynitrates.

    Science.gov (United States)

    Wang, Gui-xiang; Gong, Xue-dong; Du, Hong-chen; Liu, Yan; Xiao, He-ming

    2011-02-10

    Aliphatic polynitrates are studied using the density functional theory B3LYP method with basis set 6-31G*. The assigned infrared spectrum is obtained and is used to compute the thermodynamic properties based on the frequencies scaled by 0.96 and the principle of statistic thermodynamics. On comparison of the theoretical densities with the experimental ones, the reliability of this theoretical method is tested. Detonation properties are evaluated using the modified Kamlet-Jacobs equations based on the calculated densities and heats of formation. According to the largest exothermic principle, the relative specific impulse (Is) is investigated by calculating the enthalpy of combustion (ΔH(comb)) and the total heat capacity (C(p,gases)). It is found that the introduction of methylene nitrate group could decrease the specific impulses on whole. Moreover, in combination with the energetic properties, xylitol pentanitrate, mannitol hexanitrate, volemitol heptanitrate, and 1,2,3,4,5,6,7,8-octanitrate n-octane are potential candidates for high energy density compounds.

  13. Theoretical bases analysis of scientific prediction on marketing principles

    OpenAIRE

    A.S. Rosohata

    2012-01-01

    The article presents an overview categorical apparatus of scientific predictions and theoretical foundations results of scientific forecasting. They are integral part of effective management of economic activities. The approaches to the prediction of scientists in different fields of Social science and the categories modification of scientific prediction, based on principles of marketing are proposed.

  14. Prediction and Theoretical Investigation of the Morphology of ...

    African Journals Online (AJOL)

    band interaction plays a critical role in the plate-like morphology of erythromycin dihydrate, which is in accordance with the theory of Periodic Bond Chain (PBC). Keywords: Erythromycin dihydrate, Morphology prediction, Theoretical investigation, ...

  15. A New Replicator: A theoretical framework for analysing replication

    Directory of Open Access Journals (Sweden)

    Szathmáry Eörs

    2010-03-01

    Full Text Available Abstract Background Replicators are the crucial entities in evolution. The notion of a replicator, however, is far less exact than the weight of its importance. Without identifying and classifying multiplying entities exactly, their dynamics cannot be determined appropriately. Therefore, it is importance to decide the nature and characteristics of any multiplying entity, in a detailed and formal way. Results Replication is basically an autocatalytic process which enables us to rest on the notions of formal chemistry. This statement has major implications. Simple autocatalytic cycle intermediates are considered as non-informational replicators. A consequence of which is that any autocatalytically multiplying entity is a replicator, be it simple or overly complex (even nests. A stricter definition refers to entities which can inherit acquired changes (informational replicators. Simple autocatalytic molecules (and nests are excluded from this group. However, in turn, any entity possessing copiable information is to be named a replicator, even multicellular organisms. In order to deal with the situation, an abstract, formal framework is presented, which allows the proper identification of various types of replicators. This sheds light on the old problem of the units and levels of selection and evolution. A hierarchical classification for the partition of the replicator-continuum is provided where specific replicators are nested within more general ones. The classification should be able to be successfully applied to known replicators and also to future candidates. Conclusion This paper redefines the concept of the replicator from a bottom-up theoretical approach. The formal definition and the abstract models presented can distinguish between among all possible replicator types, based on their quantity of variable and heritable information. This allows for the exact identification of various replicator types and their underlying dynamics. The most

  16. Theoretical and experimental analyses of tunable Fabry-Perot resonators using piezoelectric phononic crystals.

    Science.gov (United States)

    Ponge, Marie-Fraise; Dubus, Bertrand; Granger, Christian; Vasseur, Jerome O; Thi, Mai Pham; Hladky-Hennion, Anne-Christine

    2015-06-01

    Theoretical and experimental analyses of piezoelectric stacks submitted to periodical electrical boundary conditions via electrodes are conducted. The presented structures exhibit Bragg band gaps that can be switched on or off by setting electrodes in short or open circuit. The band gap frequency width is determined by the electromechanical coupling coefficient. This property is used to design a Fabry-Perot cavity delimited by a periodic piezoelectric stack. An analytical model based on a transfer matrix formalism is used to model the wave propagation inside the structure. The cavity resonance tunability is obtained by varying the cavity length (i.e., by spatially shifting boundary conditions in the stack). 26% tuning of resonance and antiresonance frequencies with almost constant electromechanical coupling coefficient of 5% are theoretically predicted for an NCE41 resonator. To optimize the device, the influence of various parameters is theoretically investigated. The cavity length, phononic crystal (number and length of unit cells), and transducer position can be adapted to tune the frequency shift and the coupling coefficient. When the transducer is located at a nodal plane of the cavity, the value of the coupling coefficient is 30%. Experimental results are presented and discussed analyzing the effects of damping.

  17. A Game Theoretic Approach to Cyber Attack Prediction

    Energy Technology Data Exchange (ETDEWEB)

    Peng Liu

    2005-11-28

    The area investigated by this project is cyber attack prediction. With a focus on correlation-based prediction, current attack prediction methodologies overlook the strategic nature of cyber attack-defense scenarios. As a result, current cyber attack prediction methodologies are very limited in predicting strategic behaviors of attackers in enforcing nontrivial cyber attacks such as DDoS attacks, and may result in low accuracy in correlation-based predictions. This project develops a game theoretic framework for cyber attack prediction, where an automatic game-theory-based attack prediction method is proposed. Being able to quantitatively predict the likelihood of (sequences of) attack actions, our attack prediction methodology can predict fine-grained strategic behaviors of attackers and may greatly improve the accuracy of correlation-based prediction. To our best knowledge, this project develops the first comprehensive framework for incentive-based modeling and inference of attack intent, objectives, and strategies; and this project develops the first method that can predict fine-grained strategic behaviors of attackers. The significance of this research and the benefit to the public can be demonstrated to certain extent by (a) the severe threat of cyber attacks to the critical infrastructures of the nation, including many infrastructures overseen by the Department of Energy, (b) the importance of cyber security to critical infrastructure protection, and (c) the importance of cyber attack prediction to achieving cyber security.

  18. Theoretical analysis of biogas potential prediction from agricultural waste

    NARCIS (Netherlands)

    Achinas, Spyridon; Euverink, Gerrit Jan Willem

    2016-01-01

    A simplistic theoretical study of anaerobic digestion in order to predict the biogas amount of agricultural waste is proposed. A wide variety of models exist, but most of them rely on algebraic equations instead of biochemical equations and require many input parameters as well as computation time.

  19. A theoretical model for predicting neutron fluxes for cyclic Neutron ...

    African Journals Online (AJOL)

    A theoretical model has been developed for prediction of thermal neutron fluxes required for cyclic irradiations of a sample to obtain the same activity previously used for the detection of any radionuclide of interest. The model is suitable for radiotracer production or for long-lived neutron activation products where the ...

  20. Confirmation of theoretical colour predictions for layering dental composite materials.

    Science.gov (United States)

    Mikhail, Sarah S; Johnston, William M

    2014-04-01

    The aim of this study is to confirm the theoretical colour predictions for single and double layers of dental composite materials on an opaque backing. Single and double layers of composite resins were fabricated, placed in optical contact with a grey backing and measured for spectral radiance. The spectral reflectance and colour were directly determined. Absorption and scattering coefficients as previously reported, the measured thickness of the single layers and the effective reflectance of the grey backing were utilized to theoretically predict the reflectance of the single layer using corrected Kubelka-Munk reflectance theory. For double layers the predicted effective reflectance of the single layer was used as the reflectance of the backing of the second layer and the thickness of the second layer was used to predict the reflectance of the double layer. Colour differences, using both the CIELAB and CIEDE2000 formulae, measured the discrepancy between each directly determined colour and its corresponding theoretical colour. The colour difference discrepancies generally ranged around the perceptibility threshold but were consistently below the respective acceptability threshold. This theory can predict the colour of layers of composite resin within acceptability limits and generally also within perceptibility limits. This theory could therefore be incorporated into computer-based optical measuring instruments that can automate the shade selections for layers of a more opaque first layer under a more translucent second layer for those clinical situations where an underlying background colour and a desirable final colour can be measured. Copyright © 2014 Elsevier Ltd. All rights reserved.

  1. Experimental Testing of Game-Theoretic Predictions: The Ultimatum Game

    OpenAIRE

    Matysková, Ludmila

    2011-01-01

    This thesis focuses on testing of game theoretical predictions in the ultimatum game by means of controlled experiments. This game has become one of the most scrutinized games from the area of bargaining game theory. The theoretical division of the reward, which the players bargain over, is such that one player gets virtually all the reward while the second player is left with nothing. Because of such an extreme division of the reward, the game represents a severe test for the theory. In fact...

  2. Mesoscopic structure prediction of nanoparticle assembly and coassembly: Theoretical foundation

    KAUST Repository

    Hur, Kahyun

    2010-01-01

    In this work, we present a theoretical framework that unifies polymer field theory and density functional theory in order to efficiently predict ordered nanostructure formation of systems having considerable complexity in terms of molecular structures and interactions. We validate our approach by comparing its predictions with previous simulation results for model systems. We illustrate the flexibility of our approach by applying it to hybrid systems composed of block copolymers and ligand coated nanoparticles. We expect that our approach will enable the treatment of multicomponent self-assembly with a level of molecular complexity that approaches experimental systems. © 2010 American Institute of Physics.

  3. Theoretical analysis of biogas potential prediction from agricultural waste

    Directory of Open Access Journals (Sweden)

    Spyridon Achinas

    2016-09-01

    Full Text Available A simplistic theoretical study of anaerobic digestion in order to predict the biogas amount of agricultural waste is proposed. A wide variety of models exist, but most of them rely on algebraic equations instead of biochemical equations and require many input parameters as well as computation time. This work provides a simplified model that predicts the biogas amount produced and could be applied for agricultural energy feasibility studies for instance dimensioning bioreactors digesting animal waste slurries. The method can be used for other feedstock materials and repeated for other similar applications, in an effort to expand anaerobic digestion systems as a clean energy source.

  4. Large Hadron Collider (LHC) phenomenology, operational challenges and theoretical predictions

    CERN Document Server

    Gilles, Abelin R

    2013-01-01

    The Large Hadron Collider (LHC) is the highest-energy particle collider ever constructed and is considered "one of the great engineering milestones of mankind." It was built by the European Organization for Nuclear Research (CERN) from 1998 to 2008, with the aim of allowing physicists to test the predictions of different theories of particle physics and high-energy physics, and particularly prove or disprove the existence of the theorized Higgs boson and of the large family of new particles predicted by supersymmetric theories. In this book, the authors study the phenomenology, operational challenges and theoretical predictions of LHC. Topics discussed include neutral and charged black hole remnants at the LHC; the modified statistics approach for the thermodynamical model of multiparticle production; and astroparticle physics and cosmology in the LHC era.

  5. Analysing Theoretical Frameworks of Moral Education through Lakatos's Philosophy of Science

    Science.gov (United States)

    Han, Hyemin

    2014-01-01

    The structure of studies of moral education is basically interdisciplinary; it includes moral philosophy, psychology, and educational research. This article systematically analyses the structure of studies of moral educational from the vantage points of philosophy of science. Among the various theoretical frameworks in the field of philosophy of…

  6. A Theoretical Model for the Prediction of Siphon Breaking Phenomenon

    Energy Technology Data Exchange (ETDEWEB)

    Bae, Youngmin; Kim, Young-In; Seo, Jae-Kwang; Kim, Keung Koo; Yoon, Juhyeon [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2014-10-15

    A siphon phenomenon or siphoning often refers to the movement of liquid from a higher elevation to a lower one through a tube in an inverted U shape (whose top is typically located above the liquid surface) under the action of gravity, and has been used in a variety of reallife applications such as a toilet bowl and a Greedy cup. However, liquid drainage due to siphoning sometimes needs to be prevented. For example, a siphon breaker, which is designed to limit the siphon effect by allowing the gas entrainment into a siphon line, is installed in order to maintain the pool water level above the reactor core when a loss of coolant accident (LOCA) occurs in an open-pool type research reactor. In this paper, we develop a theoretical model to predict the siphon breaking phenomenon. In this paper, a theoretical model to predict the siphon breaking phenomenon is developed. It is shown that the present model predicts well the fundamental features of the siphon breaking phenomenon and undershooting height.

  7. Theoretical prediction method of subcooled flow boiling CHF

    Energy Technology Data Exchange (ETDEWEB)

    Kwon, Young Min; Chang, Soon Heung [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    1998-12-31

    A theoretical critical heat flux (CHF ) model, based on lateral bubble coalescence on the heated wall, is proposed to predict the subcooled flow boiling CHF in a uniformly heated vertical tube. The model is based on the concept that a single layer of bubbles contacted to the heated wall prevents a bulk liquid from reaching the wall at near CHF condition. Comparisons between the model predictions and experimental data result in satisfactory agreement within less than 9.73% root-mean-square error by the appropriate choice of the critical void fraction in the bubbly layer. The present model shows comparable performance with the CHF look-up table of Groeneveld et al.. 28 refs., 11 figs., 1 tab. (Author)

  8. Theoretical predictions for vehicular headways and their clusters

    CERN Document Server

    Krbalek, Milan

    2012-01-01

    This article presents a derivation of analytical predictions for steady-state distributions of netto time gaps among clusters of vehicles moving inside a traffic stream. Using the thermodynamic socio-physical traffic model with short-ranged repulsion between particles (originally introduced in [Physica A 333 (2004) 370]) we firstly derive the time-clearance distribution in the model. Consecutively, the statistical distributions for the so-called time multi-clearances are calculated by means of theory of functional convolutions. Moreover, all the theoretical surmises used during the above-mentioned calculations are proved by the statistical analysis of traffic data. The mathematical predictions acquired in this paper are thoroughly compared with relevant empirical quantities and viewed in the context of traffic theory.

  9. Analysing the differences between theoretical and implemented supply chain strategies in selected organisations

    OpenAIRE

    Danie J. Nel; Johanna A. Badenhorst-Weiss

    2011-01-01

    Organisations can use supply chain strategies to gain a competitive advantage for the supply chain. A competitive advantage can be achieved by means of low cost or by means of differentiation. However, organisations have to implement the correct supply chain strategy. Returns on investment can be compromised if organisations implement an incorrect supply chain strategy. The objective of the article is to analyse the differences between theoretically implied and implemented supply chain strate...

  10. Aircraft noise prediction program theoretical manual: Rotorcraft System Noise Prediction System (ROTONET), part 4

    Science.gov (United States)

    Weir, Donald S.; Jumper, Stephen J.; Burley, Casey L.; Golub, Robert A.

    1995-01-01

    This document describes the theoretical methods used in the rotorcraft noise prediction system (ROTONET), which is a part of the NASA Aircraft Noise Prediction Program (ANOPP). The ANOPP code consists of an executive, database manager, and prediction modules for jet engine, propeller, and rotor noise. The ROTONET subsystem contains modules for the prediction of rotor airloads and performance with momentum theory and prescribed wake aerodynamics, rotor tone noise with compact chordwise and full-surface solutions to the Ffowcs-Williams-Hawkings equations, semiempirical airfoil broadband noise, and turbulence ingestion broadband noise. Flight dynamics, atmosphere propagation, and noise metric calculations are covered in NASA TM-83199, Parts 1, 2, and 3.

  11. Physics of mind: Experimental confirmations of theoretical predictions.

    Science.gov (United States)

    Schoeller, Félix; Perlovsky, Leonid; Arseniev, Dmitry

    2018-02-02

    What is common among Newtonian mechanics, statistical physics, thermodynamics, quantum physics, the theory of relativity, astrophysics and the theory of superstrings? All these areas of physics have in common a methodology, which is discussed in the first few lines of the review. Is a physics of the mind possible? Is it possible to describe how a mind adapts in real time to changes in the physical world through a theory based on a few basic laws? From perception and elementary cognition to emotions and abstract ideas allowing high-level cognition and executive functioning, at nearly all levels of study, the mind shows variability and uncertainties. Is it possible to turn psychology and neuroscience into so-called "hard" sciences? This review discusses several established first principles for the description of mind and their mathematical formulations. A mathematical model of mind is derived from these principles. This model includes mechanisms of instincts, emotions, behavior, cognition, concepts, language, intuitions, and imagination. We clarify fundamental notions such as the opposition between the conscious and the unconscious, the knowledge instinct and aesthetic emotions, as well as humans' universal abilities for symbols and meaning. In particular, the review discusses in length evolutionary and cognitive functions of aesthetic emotions and musical emotions. Several theoretical predictions are derived from the model, some of which have been experimentally confirmed. These empirical results are summarized and we introduce new theoretical developments. Several unsolved theoretical problems are proposed, as well as new experimental challenges for future research. Copyright © 2017. Published by Elsevier B.V.

  12. New Theoretical Technique Developed for Predicting the Stability of Alloys

    Science.gov (United States)

    1996-01-01

    When alloys are being designed for aeronautical and other applications, a substantial experimental effort is necessary to make incremental changes in the desired alloy properties. A scheme to narrow the field to the most promising candidates would substantially reduce the high cost of this experimental screening. Such a method for determining alloy properties, called the BFS (Bozzolo, Ferrante, and Smith) method, has been developed at the NASA Lewis Research Center. This method was used to calculate the thermal stability and mechanical strength of 200 alloys of Ni3Al, with Cu and Au impurities forming ternary and quaternary compounds. With recent advances in the method, almost any metallic impurity and crystal structure can be addressed. In addition, thermal effects can be addressed with Monte Carlo techniques. At present, an experimental program is in progress to verify these results. The method identified a small number of the most promising candidates from the 200 alloys with the largest negative heat of formation and the highest bulk modulus. This calculation required only 5 min of CPU time on a VAX computer. It is clear that semi-empirical methods have achieved the level of development and reliability to warrant examining this new approach to the problem of alloy design. The present work was meant to demonstrate, perhaps in a rather simple way, this power. This type of application of atomistic simulation methods can narrow the gap and improve the feedback between theoretical predictions and laboratory experimentation.

  13. USING A THEORETICAL FRAMEWORK OF INSTITUTIONAL CULTURE TO ANALYSE AN INSTITUTIONAL STRATEGY DOCUMENT

    Directory of Open Access Journals (Sweden)

    Anthea Hydi Jacobs

    2016-07-01

    Full Text Available This paper builds on a conceptual analysis of institutional culture in higher education. A theoretical framework was proposed to analyse institutional documents of two higher education institutions in the Western Cape, for the period 2002 to 2012 (Jacobs 2012. The elements of this theoretical framework are ‘shared values and beliefs’, ‘language’, ‘symbols’ and ‘knowledge production’. Even though the larger study focused on two higher education institutions, the focus in this paper is only on Stellenbosch University (SU. The aim of the paper is to explore how the constitutive elements of the proposed theoretical framework are constructed in the Institutional Intent and Strategy 2013-2018 document of SU. The findings of the larger 2012 study suggested a missing link between transformation and institutional culture. Although SU is striving towards an inclusive campus or institutional culture, the contention is that transformation extends far deeper. The current analysis reveals that the challenges SU is facing are two-fold. Firstly, the university has to make sure that the proposed ‘core processes’ represent significant actions to address the challenges related to transforming the university’s institutional culture. Secondly, SU should guard against the use of concepts such as ‘redesign’ to imply transformation.

  14. Water Organization and Dynamics on Mineral Surfaces Interrogated by Graph Theoretical Analyses of Intermolecular Chemical Networks

    Directory of Open Access Journals (Sweden)

    Abdullah Ozkanlar

    2014-03-01

    Full Text Available Intermolecular chemical networks defined by the hydrogen bonds formed at the α-quartz|water interface have been data-mined using graph theoretical methods so as to identify and quantify structural patterns and dynamic behavior. Using molecular-dynamics simulations data, the hydrogen bond (H-bond distributions for the water-water and water-silanol H-bond networks have been determined followed by the calculation of the persistence of the H-bond, the dipole-angle oscillations that water makes with the surface silanol groups over time, and the contiguous H-bonded chains formed at the interface. Changes in these properties have been monitored as a function of surface coverage. Using the H-bond distribution between water and the surface silanol groups, the actual number of waters adsorbed to the surface is found to be 0.6 H2O/10 Å2, irrespective of the total concentration of waters within the system. The unbroken H-bond network of interfacial waters extends farther than in the bulk liquid; however, it is more fluxional at low surface coverages (i.e., the H-bond persistence in a monolayer of water is shorter than in the bulk Concentrations of H2O at previously determined water adsorption sites have also been quantified. This work demonstrates the complementary information that can be obtained through graph theoretical analysis of the intermolecular H-bond networks relative to standard analyses of molecular simulation data.

  15. Theoretical Prediction of Ultrasonic Velocity in Binary Liquid Mixtures

    Directory of Open Access Journals (Sweden)

    Shaik. Babu

    2011-01-01

    Full Text Available Theoretical values of ultrasonic velocity in the binary mixtures of chlorobenzene with benzene have been evaluated at different temperatures from 303.15 K-323.15 K using Nomoto's relation, ideal mixture relation, Junjie's method, collision factor theory and free length theory. Theoretical values were compared with the experimental values and the validity of the theories was checked by applying the chi-square test for goodness of fit and by calculating the average percentage error (APE.

  16. Theoretical Prediction of Ultrasonic Velocity in Organic Liquid Mixtures

    Directory of Open Access Journals (Sweden)

    R. Uvarani

    2009-01-01

    Full Text Available Theoretical values of ultrasonic velocity in the binary mixtures of cyclohexanone with 2-propanol and 2-methyl-2-propanol have been evaluated at 303 K using Nomoto’s relation, collision factor theory, free length theory, ideal mixture relation, Junjie’s method. Theoretical values are compared with the experimental values and the validity of the theories are checked by applying the chi-square test for goodness of fit and by calculating the average percentage error (APE.

  17. Geospatial Analyses of Alcohol and Drug Problems: Empirical Needs and Theoretical Foundations.

    Science.gov (United States)

    Gruenewald, Paul J

    2013-06-01

    Over the past four decades geospatial analyses of alcohol and drug problems have moved to the forefront of ecological studies of the correlates and determinants of drug addictions in community health. These advances have been predicated upon the expanding computational capabilities of geographic information systems, advancement of statistical tools for the analysis of spatial data, and the formulation of suitable social ecological theory. This paper provides an introduction to the study of drug markets in the US as a model social problem for geospatial research and analysis. Market and epidemic models of the growth of the methamphetamine abuse and dependence in California are used as examples of two fruitful approaches to understanding the social processes that underlie use of this dangerous substance. Data on the growth of the epidemic are described and used to motivate theoretical and empirical concerns regarding further analyses of the development of drug markets over space and time. These concerns, in turn, begin to be addressed by the remaining four papers in this series, each providing some examples and insights into avenues of geospatial research which can be profitably explored in the future.

  18. Analysing the differences between theoretical and implemented supply chain strategies in selected organisations

    Directory of Open Access Journals (Sweden)

    Danie J. Nel

    2011-11-01

    Full Text Available Organisations can use supply chain strategies to gain a competitive advantage for the supply chain. A competitive advantage can be achieved by means of low cost or by means of differentiation. However, organisations have to implement the correct supply chain strategy. Returns on investment can be compromised if organisations implement an incorrect supply chain strategy. The objective of the article is to analyse the differences between theoretically implied and implemented supply chain strategies within selected organisations. The differences between supply chain strategies implied by literature and those implemented by selected organisations are analysed by determining how the organisations are managing their supply chain drivers. Organisations with lean supply chains should manage their supply chain drivers to achieve efficiency, while organisations with agile supply chains should manage their supply chain drivers with responsiveness towards customers' needs in mind. Non-probability sampling was used to include 13 organisations in the research. Six organisations are implementing different supply chain strategies to what literature principles are suggesting to them based on specific supply chain characteristics. An analysis is done on how these six organisations are managing their supply chain drivers.

  19. The First Galaxies Theoretical Predictions and Observational Clues

    CERN Document Server

    Mobasher, Bahram; Bromm, Volker

    2013-01-01

    New observations of the period between the cosmic recombination and the end of reionization are posing intriguing questions about where the first generations of stars were formed, how the first galaxies were assembled, whether these galaxies have low redshift counterparts, and what role the early galaxies played in the reionization process. Combining the new observational data with theoretical models can shed new light on open issues regarding the star formation process, its role in the reionization of the Universe, and the metal enrichment in galaxies at those early epochs. This volume brings together leading experts in the field to discuss our current level of understanding and what may come in the near future as our observational as well as theoretical tools improve. The book confronts the theory of how the first stars, black holes, and galaxies formed with current and planned observations. This synthesis is very timely, just ahead of the establishment of major new facilities, such as the James Webb Space ...

  20. Theoretical prediction of topological insulator in ternary rare earth chalcogenides

    OpenAIRE

    Yan, Binghai; Zhang, Hai-Jun; Liu, Chao-Xing; Qi, Xiao-Liang; Frauenheim, Thomas; Zhang, Shou-Cheng

    2010-01-01

    A new class of three-dimensional topological insulator, ternary rare earth chalcogenides, is theoretically investigated with ab initio calculations. Based on both bulk band structure analysis and the direct calculation of topological surface states, we demonstrate that LaBiTe3 is a topological insulator. La can be substituted by other rare earth elements, which provide candidates for novel topological states such as quantum anomalous Hall insulator, axionic insulator and topological Kondo ins...

  1. Theoretical models to predict the mechanical behavior of thick composite tubes

    Directory of Open Access Journals (Sweden)

    Volnei Tita

    2012-02-01

    Full Text Available This paper shows theoretical models (analytical formulations to predict the mechanical behavior of thick composite tubes and how some parameters can influence this behavior. Thus, firstly, it was developed the analytical formulations for a pressurized tube made of composite material with a single thick ply and only one lamination angle. For this case, the stress distribution and the displacement fields are investigated as function of different lamination angles and reinforcement volume fractions. The results obtained by the theoretical model are physic consistent and coherent with the literature information. After that, the previous formulations are extended in order to predict the mechanical behavior of a thick laminated tube. Both analytical formulations are implemented as a computational tool via Matlab code. The results obtained by the computational tool are compared to the finite element analyses, and the stress distribution is considered coherent. Moreover, the engineering computational tool is used to perform failure analysis, using different types of failure criteria, which identifies the damaged ply and the mode of failure.

  2. Accurate Theoretical Predictions of the Properties of Energetic Materials

    Science.gov (United States)

    2008-09-18

    and to investigate the relationships between crystal structure/microstructure and sensitivity, compressibility, polymorphism and crystal shape...Additionally, these procedures and potentials can be used to investigate/predict polymorphism and crystal habits. Sensitivity, the ease with...point group symmetries in which the molecule is coincident with appropriate unit cell symmetry. β- HMX , for example, has Ci point group symmetry and

  3. Predictability of Tropical Cyclones: Theoretical and Practical Aspects

    Science.gov (United States)

    1997-09-30

    Washington, DC and using data obtained from NRL-Monterey, UW-Madison and the Australian Bureau of Meteorology . The focus thus far has been on the Atlantic...Madison and the Australian Bureau of Meteorology and are being used routinely in the PI’s data assimilation scheme. E. Results As mentioned above, the...prediction system is now run routinely at the Sydney office of the Bureau of Meteorology , and is being tested in real-time during the next Australian

  4. Theoretical and numerical predictions of two-dimensional Aaberg slot exhaust hoods

    National Research Council Canada - National Science Library

    Wen, X; Ingham, D B

    2000-01-01

    Theoretical and computational fluid dynamical techniques are employed to predict the two-dimensional turbulent air flows which are created by an Aaberg slot exhaust hood, which is reinforced by a two...

  5. Theoretical Predictions of Phase Transitions at Ultra-high Pressures

    Science.gov (United States)

    Boates, Brian

    2013-06-01

    We present ab initio calculations of the high-pressure phase diagrams of important planetary materials such as CO2, MgSiO3, and MgO. For CO2, we predict a series of distinct liquid phases over a wide pressure (P) and temperature (T) range, including a first-order transition to a dense polymer liquid. We have computed finite-temperature free energies of liquid and solid CO2 phases to determine the melting curve beyond existing measurements and investigate possible phase separation transitions. The interaction of these phase boundaries with the mantle geotherm will also be discussed. Furthermore, we find evidence for a vast pressure-temperature regime where molten MgSiO3 decomposes into liquid SiO2 and solid MgO, with a volume change of approximately 1.2 percent. The demixing transition is driven by the crystallization of MgO ? the reaction only occurs below the high-pressure MgO melting curve. The predicted transition pressure at 10,000 K is in close proximity to an anomaly reported in recent laser-driven shock experiments of MgSiO3. We also present new results for the high-pressure melting curve of MgO and its B1-B2 solid phase transition, with a triple point near 364 GPa and 12,000 K.

  6. Theoretical Approach to Predict the Performance of Thermoelectric Generator Modules

    Science.gov (United States)

    Elarusi, Abdulmunaem H.; Fagehi, Hassan; Lee, Hosung; Attar, Alaa

    2017-02-01

    The aim of this work was to examine the validity of the thermoelectric modules' performance predicted by formulating the effective thermoelectric material properties. The three maximum parameters (output power, current, and efficiency) are defined in terms of the average temperature of the thermoelectric generator (TEG). These three maximum parameters, which are either taken from commercial TEG modules or measurements for particular operating conditions, are used to define the effective material properties (Seebeck coefficient, thermal conductivity, and electrical resistivity). The commercial performance curves provided by the manufacturer were compared with the results obtained here by the effective material properties with the simple standard thermoelectric equations. It has been found that this technique predicts the performance of four commercial thermoelectric modules with fair to good accuracy. The characteristics of the TEGs were represented using the normalized charts constructed by formulating the parameters as a fraction of over the maximum parameters. The normalized charts would be universal for any given TEG module once the thermoelectric material is known.

  7. A Critique of the Meta-theoretical Explanations and Analyses of the ...

    African Journals Online (AJOL)

    ? How can their existence and totality be explained, analysed and interpreted? To what extent have existing efforts been able to accurately explain, analyse and interpret these preconditions? What conclusions that can be drawn from these ...

  8. Halo bias in Lagrangian space: estimators and theoretical predictions

    Science.gov (United States)

    Modi, Chirag; Castorina, Emanuele; Seljak, Uroš

    2017-12-01

    We present several methods to accurately estimate Lagrangian bias parameters and substantiate them using simulations. In particular, we focus on the quadratic terms, both the local and the non-local ones, and show the first clear evidence for the latter in the simulations. Using Fourier space correlations, we also show for the first time, the scale dependence of the quadratic and non-local bias coefficients. For the linear bias, we fit for the scale dependence and demonstrate the validity of a consistency relation between linear bias parameters. Furthermore, we employ real-space estimators, using both cross-correlations and the peak-background split argument. This is the first time the latter is used to measure anisotropic bias coefficients. We find good agreement for all the parameters among these different methods, and also good agreement for local bias with Excursion set constraints τ theory predictions. We also try to exploit possible relations among the different bias parameters. Finally, we show how including higher order bias reduces the magnitude and scale dependence of stochasticity of the halo field.

  9. Theoretical prediction of Debye temperature & elastic constants of geophysical mineral

    Science.gov (United States)

    Singh, Chandra K.; Pandey, Anjani K.; Pandey, Brijesh K.

    2016-05-01

    Technological applications of the materials can be explored upto the desired limit of accuracy with the better knowledge of its mechanical and thermal properties such as ductility brittleness and Debye temperature. For the resistance to fracture (K) and plastic deformation (G) the ratio K/G is treated as an indication of ductile or brittle character of solids. In the present work we have tested the condition of ductility and brittleness with the calculated values of K/G for the geophysical minerals MgO and CaO, which are in good agreement with the corresponding experimental values. We have also computed the Debye temperature (θD) for the selected samples using average sound velocity obtained by using the values of resistance to fracture (K) and plastic deformation (G). It is observed that both the minerals are Brittle in nature and the calculated values of Debye temperature is in good agreement with the corresponding experimental values. Thus it is concluded that the nature and Debye temperature of geophysical minerals can be predicted upto high temperature simply with the knowledge of its elastic stiffness constant only.

  10. Theoretical predictions of lactate and hydrogen ion distributions in tumours.

    Directory of Open Access Journals (Sweden)

    Maymona Al-Husari

    Full Text Available High levels of lactate and H(+-ions play an important role in the invasive and metastatic cascade of some tumours. We develop a mathematical model of cellular pH regulation focusing on the activity of the Na(+/H(+ exchanger (NHE and the lactate/H(+ symporter (MCT to investigate the spatial correlations of extracellular lactate and H(+-ions. We highlight a crucial role for blood vessel perfusion rates in determining the spatial correlation between these two cations. We also predict critical roles for blood lactate, the activity of the MCTs and NHEs on the direction of the cellular pH gradient in the tumour. We also incorporate experimentally determined heterogeneous distributions of the NHE and MCT transporters. We show that this can give rise to a higher intracellular pH and a lower intracellular lactate but does not affect the direction of the reversed cellular pH gradient or redistribution of protons away from the glycolytic source. On the other hand, including intercellular gap junction communication in our model can give rise to a reversed cellular pH gradient and can influence the levels of pH.

  11. Climate Prediction Center (CPC) US daily temperature analyses

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The U.S. daily temperature analyses are maps depicting various temperature quantities utilizing daily maximum and minimum temperature data across the US. Maps are...

  12. Self-condensation of n-(N-propyl)butanimine: NMR and mass spectral analyses and investigation by theoretical calculation

    Energy Technology Data Exchange (ETDEWEB)

    Manfrini, Rozangela Magalhaes; Teixeira, Flavia Rodrigues; Pilo-Veloso, Dorila; Alcantara, Antonio Flavio de Carvalho, E-mail: aalcantara@zeus.qui.ufmg.br [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Inst. de Ciencias Exatas. Dept. de Quimica; Nelson, David Lee [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Fac. de Farmacia. Dept. de Quimica; Siqueira, Ezequias Pessoa de [Centro de Pesquisas Rene Rachou (FIOCRUZ), Belo Horizonte, MG (Brazil)

    2012-07-01

    The stability of N-propylbutanimine (1) was investigated under different experimental conditions. The acid-catalyzed self-condensation that produced the E-enimine (4) and Z-inimine (5) was studied by experimental analyses and theoretical calculations. Since the calculations for the energy of 5 indicated that it had a lower energy than 4, yet 4 was the principal product, the self-condensation of 1 must be kinetically controlled. (author)

  13. Impact of theoretical priors in cosmological analyses: The case of single field quintessence

    Science.gov (United States)

    Peirone, Simone; Martinelli, Matteo; Raveri, Marco; Silvestri, Alessandra

    2017-09-01

    We investigate the impact of general conditions of theoretical stability and cosmological viability on dynamical dark energy models. As a powerful example, we study whether minimally coupled, single field quintessence models that are safe from ghost instabilities, can source the Chevallier-Polarski-Linder (CPL) expansion history recently shown to be mildly favored by a combination of cosmic microwave background (Planck) and weak lensing (KiDS) data. We find that in their most conservative form, the theoretical conditions impact the analysis in such a way that smooth single field quintessence becomes significantly disfavored with respect to the standard Λ CDM cosmological model. This is due to the fact that these conditions cut a significant portion of the (w0,wa) parameter space for CPL, in particular, eliminating the region that would be favored by weak lensing data. Within the scenario of a smooth dynamical dark energy parametrized with CPL, weak lensing data favors a region that would require multiple fields to ensure gravitational stability.

  14. Comparative analyses of genetic risk prediction methods reveal ...

    Indian Academy of Sciences (India)

    2015-03-12

    Mar 12, 2015 ... ethnic, linguistic and geographic diversity of India. In the present study we aimed to find out whether the. Indian populations differ in risk allele frequencies (RAFs) at. NAFLD-associated candidate SNPs, and also to predict the genetic risk score of NAFLD in different Indian populations, as well as to compare ...

  15. Vibrational algorithms for quantitative crystallographic analyses of hydroxyapatite-based biomaterials: I, theoretical foundations.

    Science.gov (United States)

    Pezzotti, Giuseppe; Zhu, Wenliang; Boffelli, Marco; Adachi, Tetsuya; Ichioka, Hiroaki; Yamamoto, Toshiro; Marunaka, Yoshinori; Kanamura, Narisato

    2015-05-01

    The Raman spectroscopic method has quantitatively been applied to the analysis of local crystallographic orientation in both single-crystal hydroxyapatite and human teeth. Raman selection rules for all the vibrational modes of the hexagonal structure were expanded into explicit functions of Euler angles in space and six Raman tensor elements (RTE). A theoretical treatment has also been put forward according to the orientation distribution function (ODF) formalism, which allows one to resolve the statistical orientation patterns of the nm-sized hydroxyapatite crystallite comprised in the Raman microprobe. Close-form solutions could be obtained for the Euler angles and their statistical distributions resolved with respect to the direction of the average texture axis. Polarized Raman spectra from single-crystalline hydroxyapatite and textured polycrystalline (teeth enamel) samples were compared, and a validation of the proposed Raman method could be obtained through confirming the agreement between RTE values obtained from different samples.

  16. Auction-theoretic analyses of the first offshore wind energy auction in Germany

    Science.gov (United States)

    Kreiss, J.; Ehrhart, K.-M.; Hanke, A.-K.

    2017-11-01

    The first offshore wind energy auction in Germany led to a striking result. The average award price was 0.44 ct/kWh and even more interesting, 3 out of 4 awarded projects had a strike price of 0.0 ct/kWh. That implies that those projects will only receive the actual wholesale market price for electricity as revenue. Although there has been a strong decline in costs of offshore wind projects, such a result is still surprising. We analyzed this result auction-theoretically and showed how the auction design and the market environment can explain part of the outcome. However, another aspect of the explanation is the high risk that the awarded bidders take regarding the future development of both the project costs and the wholesale market price.

  17. Experimental and theoretical analyses of temperature polarization effect in vacuum membrane distillation

    KAUST Repository

    Alsaadi, Ahmad Salem

    2014-08-13

    This paper discusses the effect of temperature polarization in Vacuum Membrane Distillation (VMD). The main motivation for using VMD in this work is that this module configuration is much simpler and more suitable for this kind of investigation than the other MD configurations such as Direct Contact Membrane Distillation (DCMD). The coupling between heat and mass transfer mechanisms at the feed-membrane interface is presented from a theoretical point of view. In addition, a new simple graphical method and a mathematical model for determining VMD flux are presented. The two methods used in evaluating the extent of temperature polarization effect on water vapor flux (flux sensitivity factors and temperature polarization coefficient (TPC)) are also analyzed and compared. The effect of integrating a heat recovery system in a large scale module on the TPC coefficient has also been studied and presented in this paper. © 2014 Elsevier B.V.

  18. Comparison between theoretical analyses and experimental results of two-phase closed thermosyphons solar collector

    Energy Technology Data Exchange (ETDEWEB)

    Sayegh, M.A. [Faculty of Mechanical Engineering, Univ. Aleppo (Syrian Arab Republic); Danielewicz, J.; Nowak, B. [Faculty of Heating and Air Conditioning, Techn. Univ. of Wroclaw (Poland)

    1996-12-31

    The observed experimental results of the heated water temperature runs in the solar collector with TPCT for water heating systems are compared with results of numerical simulation. A compact system for hot water preparation with absorbing and accumulating the heat was analysed. In study the influence of the thermal resistance of TPCT on the heat removal factor F{sub R} and collector thermal efficiency is also presented. (orig.)

  19. Analysing Twitter and web queries for flu trend prediction.

    Science.gov (United States)

    Santos, José Carlos; Matos, Sérgio

    2014-05-07

    Social media platforms encourage people to share diverse aspects of their daily life. Among these, shared health related information might be used to infer health status and incidence rates for specific conditions or symptoms. In this work, we present an infodemiology study that evaluates the use of Twitter messages and search engine query logs to estimate and predict the incidence rate of influenza like illness in Portugal. Based on a manually classified dataset of 2704 tweets from Portugal, we selected a set of 650 textual features to train a Naïve Bayes classifier to identify tweets mentioning flu or flu-like illness or symptoms. We obtained a precision of 0.78 and an F-measure of 0.83, based on cross validation over the complete annotated set. Furthermore, we trained a multiple linear regression model to estimate the health-monitoring data from the Influenzanet project, using as predictors the relative frequencies obtained from the tweet classification results and from query logs, and achieved a correlation ratio of 0.89 (p<0.001). These classification and regression models were also applied to estimate the flu incidence in the following flu season, achieving a correlation of 0.72. Previous studies addressing the estimation of disease incidence based on user-generated content have mostly focused on the english language. Our results further validate those studies and show that by changing the initial steps of data preprocessing and feature extraction and selection, the proposed approaches can be adapted to other languages. Additionally, we investigated whether the predictive model created can be applied to data from the subsequent flu season. In this case, although the prediction result was good, an initial phase to adapt the regression model could be necessary to achieve more robust results.

  20. Temporal variations analyses and predictive modeling of microbiological seawater quality.

    Science.gov (United States)

    Lušić, Darija Vukić; Kranjčević, Lado; Maćešić, Senka; Lušić, Dražen; Jozić, Slaven; Linšak, Željko; Bilajac, Lovorka; Grbčić, Luka; Bilajac, Neiro

    2017-08-01

    Bathing water quality is a major public health issue, especially for tourism-oriented regions. Currently used methods within EU allow at least a 2.2 day period for obtaining the analytical results, making outdated the information forwarded to the public. Obtained results and beach assessment are influenced by the temporal and spatial characteristics of sample collection, and numerous environmental parameters, as well as by differences of official water standards. This paper examines the temporal variation of microbiological parameters during the day, as well as the influence of the sampling hour, on decision processes in the management of the beach. Apart from the fecal indicators stipulated by the EU Bathing Water Directive (E. coli and enterococci), additional fecal (C. perfringens) and non-fecal (S. aureus and P. aeriginosa) parameters were analyzed. Moreover, the effects of applying different evaluation criteria (national, EU and U.S. EPA) to beach ranking were studied, and the most common reasons for exceeding water-quality standards were investigated. In order to upgrade routine monitoring, a predictive statistical model was developed. The highest concentrations of fecal indicators were recorded early in the morning (6 AM) due to the lack of solar radiation during the night period. When compared to enterococci, E. coli criteria appears to be more stringent for the detection of fecal pollution. In comparison to EU and U.S. EPA criteria, Croatian national evaluation criteria provide stricter public health standards. Solar radiation and precipitation were the predominant environmental parameters affecting beach water quality, and these parameters were included in the predictive model setup. Predictive models revealed great potential for the monitoring of recreational water bodies, and with further development can become a useful tool for the improvement of public health protection. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. Analysing earthquake slip models with the spatial prediction comparison test

    KAUST Repository

    Zhang, L.

    2014-11-10

    Earthquake rupture models inferred from inversions of geophysical and/or geodetic data exhibit remarkable variability due to uncertainties in modelling assumptions, the use of different inversion algorithms, or variations in data selection and data processing. A robust statistical comparison of different rupture models obtained for a single earthquake is needed to quantify the intra-event variability, both for benchmark exercises and for real earthquakes. The same approach may be useful to characterize (dis-)similarities in events that are typically grouped into a common class of events (e.g. moderate-size crustal strike-slip earthquakes or tsunamigenic large subduction earthquakes). For this purpose, we examine the performance of the spatial prediction comparison test (SPCT), a statistical test developed to compare spatial (random) fields by means of a chosen loss function that describes an error relation between a 2-D field (‘model’) and a reference model. We implement and calibrate the SPCT approach for a suite of synthetic 2-D slip distributions, generated as spatial random fields with various characteristics, and then apply the method to results of a benchmark inversion exercise with known solution. We find the SPCT to be sensitive to different spatial correlations lengths, and different heterogeneity levels of the slip distributions. The SPCT approach proves to be a simple and effective tool for ranking the slip models with respect to a reference model.

  2. Analyse

    DEFF Research Database (Denmark)

    Greve, Bent

    2007-01-01

    Analyse i Politiken om frynsegoder med udgangspunkt i bogen Occupational Welfare - Winners and Losers publiceret på Edward Elgar......Analyse i Politiken om frynsegoder med udgangspunkt i bogen Occupational Welfare - Winners and Losers publiceret på Edward Elgar...

  3. An AP endonuclease 1-DNA polymerase beta complex: theoretical prediction of interacting surfaces.

    Science.gov (United States)

    Abyzov, Alexej; Uzun, Alper; Strauss, Phyllis R; Ilyin, Valentin A

    2008-04-25

    Abasic (AP) sites in DNA arise through both endogenous and exogenous mechanisms. Since AP sites can prevent replication and transcription, the cell contains systems for their identification and repair. AP endonuclease (APEX1) cleaves the phosphodiester backbone 5' to the AP site. The cleavage, a key step in the base excision repair pathway, is followed by nucleotide insertion and removal of the downstream deoxyribose moiety, performed most often by DNA polymerase beta (pol-beta). While yeast two-hybrid studies and electrophoretic mobility shift assays provide evidence for interaction of APEX1 and pol-beta, the specifics remain obscure. We describe a theoretical study designed to predict detailed interacting surfaces between APEX1 and pol-beta based on published co-crystal structures of each enzyme bound to DNA. Several potentially interacting complexes were identified by sliding the protein molecules along DNA: two with pol-beta located downstream of APEX1 (3' to the damaged site) and three with pol-beta located upstream of APEX1 (5' to the damaged site). Molecular dynamics (MD) simulations, ensuring geometrical complementarity of interfaces, enabled us to predict interacting residues and calculate binding energies, which in two cases were sufficient (approximately -10.0 kcal/mol) to form a stable complex and in one case a weakly interacting complex. Analysis of interface behavior during MD simulation and visual inspection of interfaces allowed us to conclude that complexes with pol-beta at the 3'-side of APEX1 are those most likely to occur in vivo. Additional multiple sequence analyses of APEX1 and pol-beta in related organisms identified a set of correlated mutations of specific residues at the predicted interfaces. Based on these results, we propose that pol-beta in the open or closed conformation interacts and makes a stable interface with APEX1 bound to a cleaved abasic site on the 3' side. The method described here can be used for analysis in any DNA

  4. An AP endonuclease 1-DNA polymerase beta complex: theoretical prediction of interacting surfaces.

    Directory of Open Access Journals (Sweden)

    Alexej Abyzov

    2008-04-01

    Full Text Available Abasic (AP sites in DNA arise through both endogenous and exogenous mechanisms. Since AP sites can prevent replication and transcription, the cell contains systems for their identification and repair. AP endonuclease (APEX1 cleaves the phosphodiester backbone 5' to the AP site. The cleavage, a key step in the base excision repair pathway, is followed by nucleotide insertion and removal of the downstream deoxyribose moiety, performed most often by DNA polymerase beta (pol-beta. While yeast two-hybrid studies and electrophoretic mobility shift assays provide evidence for interaction of APEX1 and pol-beta, the specifics remain obscure. We describe a theoretical study designed to predict detailed interacting surfaces between APEX1 and pol-beta based on published co-crystal structures of each enzyme bound to DNA. Several potentially interacting complexes were identified by sliding the protein molecules along DNA: two with pol-beta located downstream of APEX1 (3' to the damaged site and three with pol-beta located upstream of APEX1 (5' to the damaged site. Molecular dynamics (MD simulations, ensuring geometrical complementarity of interfaces, enabled us to predict interacting residues and calculate binding energies, which in two cases were sufficient (approximately -10.0 kcal/mol to form a stable complex and in one case a weakly interacting complex. Analysis of interface behavior during MD simulation and visual inspection of interfaces allowed us to conclude that complexes with pol-beta at the 3'-side of APEX1 are those most likely to occur in vivo. Additional multiple sequence analyses of APEX1 and pol-beta in related organisms identified a set of correlated mutations of specific residues at the predicted interfaces. Based on these results, we propose that pol-beta in the open or closed conformation interacts and makes a stable interface with APEX1 bound to a cleaved abasic site on the 3' side. The method described here can be used for analysis in

  5. Using the theoretical linear energy solvation energy relationship to correlate and predict nasal pungency thresholds.

    Science.gov (United States)

    Famini, George R; Aguiar, Denise; Payne, Marvin A; Rodriquez, Ryan; Wilson, Leland Y

    2002-01-01

    The theoretical linear solvation energy relationship (TLSER) has been used to correlate and characterize 44 nasal pungency threshold (NPT) values in man with parameters derived from semi-empirical molecular orbital theory. The resulting relationship provides good correlative (R2 > 0.92) and predictive (R2cy > 0.88) capability. In addition, the TLSER parameters are used as a molecular probe to attempt to understand the fundamental properties influencing nasal pungency.

  6. A combined study based on experimental analyses and theoretical calculations on properties of poly (lactic acid) under annealing treatment

    Science.gov (United States)

    Loued, W.; Wéry, J.; Dorlando, A.; Alimi, K.

    2015-02-01

    In this paper, the significance of annealing, in two different atmospheres (air and vacuum), on the surface characteristics of poly (lactic acid) (PLA) films was investigated. X-ray diffraction (XRD) measurements correlated to atomic force microscopy (AFM) observations of the cast PLA films show that thermal treatment under air atmosphere is responsible for a significant increase of crystallinity with the increase of temperature. However, band gap energy of the title compound is slightly affected by annealing at different temperatures. As for the untreated PLA, the molecular geometry was optimized using density functional theory (DFT/B3LYP) method with 6-31g (d) basis set in ground state. From the optimized geometry, HOMO and LUMO energies and quantum chemical parameters were performed at B3LYP/6-31g (d). The theoretical results, applied to simulated optical spectra of the compound, were compared to the observed ones. On the basis of theoretical vibrational analyses, the thermodynamic properties were calculated at different temperatures, revealing the correlation between internal energy (U), enthalpy (H), entropy (S), Free energy (G) and temperatures.

  7. Experimental observation of a theoretically predicted nonlinear sleep spindle harmonic in human EEG.

    Science.gov (United States)

    Abeysuriya, R G; Rennie, C J; Robinson, P A; Kim, J W

    2014-10-01

    To investigate the properties of a sleep spindle harmonic oscillation previously predicted by a theoretical neural field model of the brain. Spindle oscillations were extracted from EEG data from nine subjects using an automated algorithm. The power and frequency of the spindle oscillation and the harmonic oscillation were compared across subjects. The bicoherence of the EEG was calculated to identify nonlinear coupling. All subjects displayed a spindle harmonic at almost exactly twice the frequency of the spindle. The power of the harmonic scaled nonlinearly with that of the spindle peak, consistent with model predictions. Bicoherence was observed at the spindle frequency, confirming the nonlinear origin of the harmonic oscillation. The properties of the sleep spindle harmonic were consistent with the theoretical modeling of the sleep spindle harmonic as a nonlinear phenomenon. Most models of sleep spindle generation are unable to produce a spindle harmonic oscillation, so the observation and theoretical explanation of the harmonic is a significant step in understanding the mechanisms of sleep spindle generation. Unlike seizures, sleep spindles produce nonlinear effects that can be observed in healthy controls, and unlike the alpha oscillation, there is no linearly generated harmonic that can obscure nonlinear effects. This makes the spindle harmonic a good candidate for future investigation of nonlinearity in the brain. Copyright © 2014 International Federation of Clinical Neurophysiology. Published by Elsevier Ireland Ltd. All rights reserved.

  8. Theoretical in-Solution Conformational/Tautomeric Analyses for Chain Systems with Conjugated Double Bonds Involving Nitrogen(s

    Directory of Open Access Journals (Sweden)

    Peter I. Nagy

    2015-05-01

    Full Text Available Conformational/tautomeric transformations for X=CH–CH=Y structures (X = CH2, O, NH and Y = NH have been studied in the gas phase, in dichloromethane and in aqueous solutions. The paper is a continuation of a former study where s-cis/s-trans conformational equilibria were predicted for analogues. The s-trans conformation is preferred for the present molecules in the gas phase on the basis of its lowest internal free energy as calculated at the B97D/aug-cc-pvqz and CCSD(TCBS (coupled-cluster singles and doubles with non-iterative triples extrapolated to the complete basis set levels. Transition state barriers are of 29–36 kJ/mol for rotations about the central C–C bonds. In solution, an s-trans form is still favored on the basis of its considerably lower internal free energy compared with the s-cis forms as calculated by IEF-PCM (integral-equation formalism of the polarizable continuum dielectric solvent model at the theoretical levels indicated. A tetrahydrate model in the supermolecule/continuum approach helped explore the 2solute-solvent hydrogen bond pattern. The calculated transition state barrier for rotation about the C–C bond decreased to 27 kJ/mol for the tetrahydrate. Considering explicit solvent models, relative solvation free energies were calculated by means of the free energy perturbation method through Monte Carlo simulations. These calculated values differ remarkably from those by the PCM approach in aqueous solution, nonetheless the same prevalent conformation was predicted by the two methods. Aqueous solution structure-characteristics were determined by Monte Carlo. Equilibration of conformers/tautomers through water-assisted double proton-relay is discussed. This mechanism is not viable, however, in non-protic solvents where the calculated potential of mean force curve does not predict remarkable solute dimerization and subsequent favorable orientation.

  9. Theoretical in-Solution Conformational/Tautomeric Analyses for Chain Systems with Conjugated Double Bonds Involving Nitrogen(s)

    Science.gov (United States)

    Nagy, Peter I.

    2015-01-01

    Conformational/tautomeric transformations for X=CH–CH=Y structures (X = CH2, O, NH and Y = NH) have been studied in the gas phase, in dichloromethane and in aqueous solutions. The paper is a continuation of a former study where s-cis/s-trans conformational equilibria were predicted for analogues. The s-trans conformation is preferred for the present molecules in the gas phase on the basis of its lowest internal free energy as calculated at the B97D/aug-cc-pvqz and CCSD(T)CBS (coupled-cluster singles and doubles with non-iterative triples extrapolated to the complete basis set) levels. Transition state barriers are of 29–36 kJ/mol for rotations about the central C–C bonds. In solution, an s-trans form is still favored on the basis of its considerably lower internal free energy compared with the s-cis forms as calculated by IEF-PCM (integral-equation formalism of the polarizable continuum dielectric solvent model) at the theoretical levels indicated. A tetrahydrate model in the supermolecule/continuum approach helped explore the 2solute-solvent hydrogen bond pattern. The calculated transition state barrier for rotation about the C–C bond decreased to 27 kJ/mol for the tetrahydrate. Considering explicit solvent models, relative solvation free energies were calculated by means of the free energy perturbation method through Monte Carlo simulations. These calculated values differ remarkably from those by the PCM approach in aqueous solution, nonetheless the same prevalent conformation was predicted by the two methods. Aqueous solution structure-characteristics were determined by Monte Carlo. Equilibration of conformers/tautomers through water-assisted double proton-relay is discussed. This mechanism is not viable, however, in non-protic solvents where the calculated potential of mean force curve does not predict remarkable solute dimerization and subsequent favorable orientation. PMID:25984602

  10. A Theoretical Approach to Predict the Fatigue Life of Flexible Pipes

    OpenAIRE

    de Sousa, José Renato M.; de Sousa, Fernando J. M.; de Siqueira, Marcos Q.; Sagrilo, Luís V. S.; de Lemos, Carlos Alberto D.

    2012-01-01

    This paper focuses on a theoretical approach to access the fatigue life of flexible pipes. This methodology employs functions that convert forces and moments obtained in time-domain global analyses into stresses in their tensile armors. The stresses are then processed by well-known cycle counting methods, and S-N curves are used to evaluate the fatigue damage at several points in the pipe’s cross-section. Finally, Palmgren-Miner linear damage hypothesis is assumed in order to calculate the ac...

  11. Propagation predictions and studies using a ray tracing program combined with a theoretical ionospheric model

    Science.gov (United States)

    Lee, M. K.; Nisbet, J. S.

    1975-01-01

    Radio wave propagation predictions are described in which modern comprehensive theoretical ionospheric models are coupled with ray-tracing programs. In the computer code described, a network of electron density and collision frequency parameters along a band about the great circle path is calculated by specifying the transmitter and receiver geographic coordinates, time, the day number, and the 2800-MHz solar flux. The ray paths are calculated on specifying the frequency, mode, range of elevation angles, and range of azimuth angles from the great circle direction. The current program uses a combination of the Penn State MKI E and F region models and the Mitra-Rowe D and E region model. Application of the technique to the prediction of satellite to ground propagation and calculation of oblique incidence propagation paths and absorption are described. The implications of the study to the development of the next generation of ionospheric models are discussed.

  12. Predicting child abuse potential: An empirical investigation of two theoretical frameworks

    Science.gov (United States)

    Begle, Angela Moreland; Dumas, Jean E.; Hanson, Rochelle F.

    2010-01-01

    This study investigated two theoretical risk models predicting child maltreatment potential: 1) Belsky’s (1993) developmental-ecological model and 2) the cumulative risk model in a sample of 610 caregivers (49% African American, 46% European American; 53% single) with a child between 3 and 6 years old. Results extend the literature by using a widely accepted and valid risk instrument (i.e., CAPI) rather than occurrence rates (e.g., reports to child protective services, observations). Results indicated Belsky’s (1993) developmental-ecological model, in which risk markers were organized into three separate conceptual domains, provided a poor fit to the data. In contrast, the cumulative risk model, which included the accumulation of risk markers, was significant in predicting child abuse potential. PMID:20390812

  13. Theoretical prediction on the structures of the HMgN- and HNMg- anions using multiconfigurational methods

    Directory of Open Access Journals (Sweden)

    Xiao Cui-Ping

    2014-01-01

    Full Text Available The nine-valence-electron HMgN- and HNMg- anions have been investigated for the first time theoretically using CASSCF (complete active space self-consistent field and CASPT2 (multiconfiguration second-order perturbation theory methods in conjunction with the contracted atomic natural orbital (ANO basis sets. The structures of the low-lying electronic states of HMgN- and HNMg- were predicted. The possible unimolecular conversions between HMgN- and HNMg-were discussed. The calculated results indicated that the ground-state of HMgN-is linear, while the ground-state HNMg- is bent, which is in contradiction to Walsh’s rules predicting linear structures for the HXY systems containing 10 or less valence electrons.

  14. Theoretical predictions for ionization cross sections of DNA nucleobases impacted by light ions

    Energy Technology Data Exchange (ETDEWEB)

    Champion, C; Lekadir, H; Hanssen, J [Laboratoire de Physique Moleculaire et des Collisions, ICPMB (FR CNRS 2843), Institut de Physique, Universite Paul Verlaine-Metz, 1 bd Arago, 57078 Metz Cedex 3 (France); Galassi, M E; Fojon, O; Rivarola, R D, E-mail: champion@univ-metz.f [Instituto de Fisica Rosario, CONICET and Universidad Nacional de Rosario, Avenida Pellegrini 250, 2000 Rosario (Argentina)

    2010-10-21

    Induction of DNA double strand breaks after irradiation is considered of prime importance for producing radio-induced cellular death or injury. However, up to now ion-induced collisions on DNA bases remain essentially experimentally approached and a theoretical model for cross section calculation is still lacking. Under these conditions, we here propose a quantum mechanical description of the ionization process induced by light bare ions on DNA bases. Theoretical predictions in terms of differential and total cross sections for proton, {alpha}-particle and bare ion carbon beams impacting on adenine, cytosine, thymine and guanine bases are then reported in the 10 keV amu{sup -1}-10 MeV amu{sup -1} energy range. The calculations are performed within the first-order Born approximation (FBA) with biological targets described at the restricted Hartree-Fock level with geometry optimization. Comparisons to recent theoretical data for collisions between protons and cytosine point out huge discrepancies in terms of differential as well as total cross sections whereas very good agreement is shown with our previous classical predictions, especially at high impact energies (E{sub i} {>=} 100 keV amu{sup -1}). Finally, in comparison to the rare existing experimental data a systematic underestimation is observed in particular for adenine and thymine whereas a good agreement is reported for cytosine. Thus, further improvements appear as necessary, in particular by using higher order theories like the continuum-distorted-wave one in order to obtain a better understanding of the underlying physics involved in such ion-DNA reactions.

  15. Prediction of Parallel Artificial Membrane Permeability Assay of Some Drugs from their Theoretically Calculated Molecular Descriptors

    Directory of Open Access Journals (Sweden)

    E. Konoz

    2011-01-01

    Full Text Available Parallel artificial membrane permeation assays (PAMPA have been extensively utilized to determine the drug permeation potentials. In the present work, the permeation of miscellaneous drugs measured as flux by PAMPA (logF of 94 drugs, are predicted by quantitative structure property relationships modeling based on a variety of calculated theoretical descriptors, which screened and selected by genetic algorithm (GA variable subset selection procedure. These descriptors were used as inputs for generated artificial neural networks. After generation, optimization and training of artificial neural network (5:3:1, it was used for the prediction of logF for the training, test and validation sets. The standard error for the GA-ANN calculated logF for training, test and validation sets are 0.17, 0.028 and 0.15 respectively, which are smaller than those obtained by GA-MLR model (0.26, 0.051 and 0.22, respectively. Results obtained reveal the reliability and good predictably of neural network model in the prediction of membrane permeability of drugs.

  16. A theoretical model for predicting the Peak Cutting Force of conical picks

    Directory of Open Access Journals (Sweden)

    Gao Kuidong

    2014-01-01

    Full Text Available In order to predict the PCF (Peak Cutting Force of conical pick in rock cutting process, a theoretical model is established based on elastic fracture mechanics theory. The vertical fracture model of rock cutting fragment is also established based on the maximum tensile criterion. The relation between vertical fracture angle and associated parameters (cutting parameter  and ratio B of rock compressive strength to tensile strength is obtained by numerical analysis method and polynomial regression method, and the correctness of rock vertical fracture model is verified through experiments. Linear regression coefficient between the PCF of prediction and experiments is 0.81, and significance level less than 0.05 shows that the model for predicting the PCF is correct and reliable. A comparative analysis between the PCF obtained from this model and Evans model reveals that the result of this prediction model is more reliable and accurate. The results of this work could provide some guidance for studying the rock cutting theory of conical pick and designing the cutting mechanism.

  17. Prediction formulas for individual opioid analgesic requirements based on genetic polymorphism analyses.

    Science.gov (United States)

    Yoshida, Kaori; Nishizawa, Daisuke; Ichinomiya, Takashi; Ichinohe, Tatsuya; Hayashida, Masakazu; Fukuda, Ken-ichi; Ikeda, Kazutaka

    2015-01-01

    The analgesic efficacy of opioids is well known to vary widely among individuals, and various factors related to individual differences in opioid sensitivity have been identified. However, a prediction model to calculate appropriate opioid analgesic requirements has not yet been established. The present study sought to construct prediction formulas for individual opioid analgesic requirements based on genetic polymorphisms and clinical data from patients who underwent cosmetic orthognathic surgery and validate the utility of the prediction formulas in patients who underwent major open abdominal surgery. To construct the prediction formulas, we performed multiple linear regression analyses using data from subjects who underwent cosmetic orthognathic surgery. The dependent variable was 24-h postoperative or perioperative fentanyl use, and the independent variables were age, gender, height, weight, pain perception latencies (PPL), and genotype data of five single-nucleotide polymorphisms (SNPs). To examine the utility of the prediction formulas, we performed simple linear regression analyses using subjects who underwent major open abdominal surgery. Actual 24-h postoperative or perioperative analgesic use and the predicted values that were calculated using the multiple regression equations were incorporated as dependent and independent variables, respectively. Multiple linear regression analyses showed that the four SNPs, PPL, and weight were retained as independent predictors of 24-h postoperative fentanyl use (R² = 0.145, P = 5.66 × 10⁻¹⁰) and the two SNPs and weight were retained as independent predictors of perioperative fentanyl use (R² = 0.185, P = 1.99 × 10⁻¹⁵). Simple linear regression analyses showed that the predicted values were retained as an independent predictor of actual 24-h postoperative analgesic use (R² = 0.033, P = 0.030) and perioperative analgesic use (R² = 0.100, P = 1.09 × 10⁻⁴), respectively. We constructed prediction

  18. Prediction formulas for individual opioid analgesic requirements based on genetic polymorphism analyses.

    Directory of Open Access Journals (Sweden)

    Kaori Yoshida

    Full Text Available The analgesic efficacy of opioids is well known to vary widely among individuals, and various factors related to individual differences in opioid sensitivity have been identified. However, a prediction model to calculate appropriate opioid analgesic requirements has not yet been established. The present study sought to construct prediction formulas for individual opioid analgesic requirements based on genetic polymorphisms and clinical data from patients who underwent cosmetic orthognathic surgery and validate the utility of the prediction formulas in patients who underwent major open abdominal surgery.To construct the prediction formulas, we performed multiple linear regression analyses using data from subjects who underwent cosmetic orthognathic surgery. The dependent variable was 24-h postoperative or perioperative fentanyl use, and the independent variables were age, gender, height, weight, pain perception latencies (PPL, and genotype data of five single-nucleotide polymorphisms (SNPs. To examine the utility of the prediction formulas, we performed simple linear regression analyses using subjects who underwent major open abdominal surgery. Actual 24-h postoperative or perioperative analgesic use and the predicted values that were calculated using the multiple regression equations were incorporated as dependent and independent variables, respectively.Multiple linear regression analyses showed that the four SNPs, PPL, and weight were retained as independent predictors of 24-h postoperative fentanyl use (R² = 0.145, P = 5.66 × 10⁻¹⁰ and the two SNPs and weight were retained as independent predictors of perioperative fentanyl use (R² = 0.185, P = 1.99 × 10⁻¹⁵. Simple linear regression analyses showed that the predicted values were retained as an independent predictor of actual 24-h postoperative analgesic use (R² = 0.033, P = 0.030 and perioperative analgesic use (R² = 0.100, P = 1.09 × 10⁻⁴, respectively.We constructed

  19. Theoretical and numerical analyses of pore-fluid flow patterns around and within inclined large cracks and faults

    Science.gov (United States)

    Zhao, Chongbin; Hobbs, B. E.; Ord, A.; Hornby, P.; Peng, Shenglin; Liu, Liangming

    2006-08-01

    and within an inclined elliptic crack in pore-fluid-saturated porous rocks. To overcome mathematical difficulties in describing and satisfying interface conditions between the elliptic crack and its surrounding rocks, analytical solutions are firstly derived in an elliptical coordinate system, and then explicitly expressed, through rigorous inverse mappings, in the conventional Cartesian coordinate system using elementary functions. This allows the present analytical solutions not only to be used to produce theoretical understanding of the pore-fluid flow pattern around and within a large crack, but also to be used as valuable benchmark solutions for validating any numerical methods. After a finite element computational model is validated by comparing the numerical solutions with the present analytical ones, it is used to investigate pore-fluid flow patterns around and within two parallel inclined cracks in pore-fluid-saturated porous rocks. Some conclusions in relation to the effects of inclined large cracks on pore-fluid flow patterns are made through both the theoretical and the numerical analyses.

  20. Chaotic advection at large Péclet number: Electromagnetically driven experiments, numerical simulations, and theoretical predictions

    Energy Technology Data Exchange (ETDEWEB)

    Figueroa, Aldo [Facultad de Ciencias, Universidad Autónoma del Estado de Morelos, Cuernavaca, Morelos 62209 (Mexico); Meunier, Patrice; Villermaux, Emmanuel [Aix-Marseille Univ., CNRS, Centrale Marseille, IRPHE, Marseille F-13384 (France); Cuevas, Sergio; Ramos, Eduardo [Instituto de Energías Renovables, Universidad Nacional Autónoma de México, A.P. 34, Temixco, Morelos 62580 (Mexico)

    2014-01-15

    We present a combination of experiment, theory, and modelling on laminar mixing at large Péclet number. The flow is produced by oscillating electromagnetic forces in a thin electrolytic fluid layer, leading to oscillating dipoles, quadrupoles, octopoles, and disordered flows. The numerical simulations are based on the Diffusive Strip Method (DSM) which was recently introduced (P. Meunier and E. Villermaux, “The diffusive strip method for scalar mixing in two-dimensions,” J. Fluid Mech. 662, 134–172 (2010)) to solve the advection-diffusion problem by combining Lagrangian techniques and theoretical modelling of the diffusion. Numerical simulations obtained with the DSM are in reasonable agreement with quantitative dye visualization experiments of the scalar fields. A theoretical model based on log-normal Probability Density Functions (PDFs) of stretching factors, characteristic of homogeneous turbulence in the Batchelor regime, allows to predict the PDFs of scalar in agreement with numerical and experimental results. This model also indicates that the PDFs of scalar are asymptotically close to log-normal at late stages, except for the large concentration levels which correspond to low stretching factors.

  1. Theoretical Model for Predicting Moisture Ratio during Drying of Spherical Particles in a Rotary Dryer

    Directory of Open Access Journals (Sweden)

    F. T. Ademiluyi

    2013-01-01

    Full Text Available A mathematical model was developed for predicting the drying kinetics of spherical particles in a rotary dryer. Drying experiments were carried out by drying fermented ground cassava particles in a bench scale rotary dryer at inlet air temperatures of 115–230°C, air velocities of 0.83 m/s–1.55 m/s, feed mass of 50–500 g, drum drive speed of 8 rpm, and feed drive speed of 100 rpm to validate the model. The data obtained from the experiments were used to calculate the experimental moisture ratio which compared well with the theoretical moisture ratio calculated from the newly developed Abowei-Ademiluyi model. The comparisons and correlations of the results indicate that validation and performance of the established model are rather reasonable.

  2. Drug release from extruded solid lipid matrices: theoretical predictions and independent experiments.

    Science.gov (United States)

    Güres, Sinan; Siepmann, Florence; Siepmann, Juergen; Kleinebudde, Peter

    2012-01-01

    The aim of this study was to use a mechanistically realistic mathematical model based on Fick's second law to quantitatively predict the release profiles from solid lipid extrudates consisting of a ternary matrix. Diprophylline was studied as a freely water-soluble model drug, glycerol tristearate as a matrix former and polyethylene glycol or crospovidone as a pore former (blend ratio: 50:45:5%w/w/w). The choice of these ratios is based on former studies. Strains with a diameter of 0.6, 1, 1.5, 2.7 and 3.5mm were prepared using a twin-screw extruder at 65 °C and cut into cylinders of varying lengths. Drug release in demineralised water was measured using the USP 32 basket apparatus. Based on SEM pictures of extrudates before and after exposure to the release medium as well as on DSC measurements and visual observations, an analytical solution of Fick's second law of diffusion was identified in order to quantify the resulting diprophylline release kinetics from the systems. Fitting the model to one set of experimentally determined diprophylline release kinetics from PEG containing extrudates allowed determining the apparent diffusion coefficient of this drug (or water) in this lipid matrix. Knowing this value, the impact of the dimensions of the cylinders on drug release could be quantitatively predicted. Importantly, these theoretical predictions could be confirmed by independent experimental results. Thus, diffusion is the dominant mass transport mechanism controlling drug release in this type of advanced drug delivery systems. In contrast, theoretical predictions of the impact of the device dimensions in the case of crospovidone containing extrudates significantly underestimated the real diprophylline release rates. This could be attributed to the disintegration of this type of dosage forms when exceeding a specific minimal device diameter. Thus, mathematical modelling can potentially significantly speed up the development of solid lipid extrudates, but care has

  3. Computational tools for experimental determination and theoretical prediction of protein structure

    Energy Technology Data Exchange (ETDEWEB)

    O`Donoghue, S.; Rost, B.

    1995-12-31

    This tutorial was one of eight tutorials selected to be presented at the Third International Conference on Intelligent Systems for Molecular Biology which was held in the United Kingdom from July 16 to 19, 1995. The authors intend to review the state of the art in the experimental determination of protein 3D structure (focus on nuclear magnetic resonance), and in the theoretical prediction of protein function and of protein structure in 1D, 2D and 3D from sequence. All the atomic resolution structures determined so far have been derived from either X-ray crystallography (the majority so far) or Nuclear Magnetic Resonance (NMR) Spectroscopy (becoming increasingly more important). The authors briefly describe the physical methods behind both of these techniques; the major computational methods involved will be covered in some detail. They highlight parallels and differences between the methods, and also the current limitations. Special emphasis will be given to techniques which have application to ab initio structure prediction. Large scale sequencing techniques increase the gap between the number of known proteins sequences and that of known protein structures. They describe the scope and principles of methods that contribute successfully to closing that gap. Emphasis will be given on the specification of adequate testing procedures to validate such methods.

  4. Theoretical prediction of two-dimensional functionalized MXene nitrides as topological insulators

    Science.gov (United States)

    Liang, Yunye; Khazaei, Mohammad; Ranjbar, Ahmad; Arai, Masao; Yunoki, Seiji; Kawazoe, Yoshiyuki; Weng, Hongming; Fang, Zhong

    2017-11-01

    Recently, two-dimensional (2D) transition-metal carbides and nitrides, namely, MXenes have attracted a lot of attention for electronic and energy storage applications. Due to a large spin-orbit coupling and the existence of a Dirac-like band at the Fermi energy, it has been theoretically proposed that some of the MXenes will be topological insulators (TIs). Up to now, all of the predicted TI MXenes belong to transition-metal carbides, whose transition-metal atom is W, Mo, or Cr. Here, on the basis of first-principles and Z2 index calculations, we demonstrate that some of the MXene nitrides can also be TIs. We find that Ti3N2F2 is a 2D TI, whereas Zr3N2F2 is a semimetal with nontrivial band topology and can be turned into a 2D TI when the lattice is stretched. We also find that the tensile strain can convert Hf3N2F2 semiconductor into a 2D TI. Since Ti is one of the most used transition-metal elements in the synthesized MXenes, we expect that our prediction can advance the future application of MXenes as TI devices.

  5. Theoretical prediction of hysteretic rubber friction in ball on plate configuration by finite element method

    Directory of Open Access Journals (Sweden)

    2009-11-01

    Full Text Available This paper has investigated theoretically the influence of sliding speed and temperature on the hysteretic friction in case of a smooth, reciprocating steel ball sliding on smooth rubber plate by finite element method (FEM. Generalized Maxwell-models combined with Mooney-Rivlin model have been used to describe the material behaviour of the ethylenepropylene-diene-monomer (EPDM rubber studied. Additionally, the effect of the technique applied at the parameter identification of the material model and the number of Maxwell elements on the coefficient of friction (COF was also investigated. Finally, the open parameter of the Greenwood-Tabor analytical model has been determined from a fit to the FE results. By fitting, as usual, the Maxwell-model to the storage modulus master curve the predicted COF, in a broad frequency range, will be underestimated even in case of 40-term Maxwell-model. To obtain more accurate numerical prediction or to provide an upper limit for the hysteretic friction, in the interesting frequency range, the Maxwell parameters should be determined, as proposed, from a fit to the measured loss factor master curve. This conclusion can be generalized for all the FE simulations where the hysteresis plays an important role.

  6. Theoretical and numerical predictions of two-dimensional Aaberg slot exhaust hoods.

    Science.gov (United States)

    Wen, X; Ingham, D B

    2000-08-01

    Theoretical and computational fluid dynamical techniques are employed to predict the two-dimensional turbulent air flows which are created by an Aaberg slot exhaust hood, which is reinforced by a two-dimensional wall jet flow. The aim of the two-dimensional model is to numerically reveal the characteristics of the air flow in the central plane of the Aaberg workbench. A further development of the potential model is through the inclusion of the finite slot. We have found that the numerical results for the streamlines and the lines of constant speed produced by the potential flow model are in good agreement with those obtained when using the full turbulent flow model and the air velocity distribution predicted by both the potential and turbulent models agree very well with all the available experimental data. The comparison between the potential and the turbulent models reveals that the potential model has the advantage over the turbulent model in that there is much less uncertainty in the results obtained due to the more accurate specification of the boundary conditions on the open boundaries at large distances from the hood.

  7. A Novel Information-Theoretic Approach for Variable Clustering and Predictive Modeling Using Dirichlet Process Mixtures

    Science.gov (United States)

    Chen, Yun; Yang, Hui

    2016-12-01

    In the era of big data, there are increasing interests on clustering variables for the minimization of data redundancy and the maximization of variable relevancy. Existing clustering methods, however, depend on nontrivial assumptions about the data structure. Note that nonlinear interdependence among variables poses significant challenges on the traditional framework of predictive modeling. In the present work, we reformulate the problem of variable clustering from an information theoretic perspective that does not require the assumption of data structure for the identification of nonlinear interdependence among variables. Specifically, we propose the use of mutual information to characterize and measure nonlinear correlation structures among variables. Further, we develop Dirichlet process (DP) models to cluster variables based on the mutual-information measures among variables. Finally, orthonormalized variables in each cluster are integrated with group elastic-net model to improve the performance of predictive modeling. Both simulation and real-world case studies showed that the proposed methodology not only effectively reveals the nonlinear interdependence structures among variables but also outperforms traditional variable clustering algorithms such as hierarchical clustering.

  8. Experimental validation of nonlinearity suppression for an inverse-layer-type silicon photodiode and its prediction based on theoretical modeling.

    Science.gov (United States)

    Tanabe, Minoru; Zama, Tatsuya; Shitomi, Hiroshi

    2017-07-20

    The spectral nonlinearity of an inverse-layer-type silicon (Si) photodiode (PD) in the visible region was investigated. As expected by theoretical calculation, supralinearity and saturation of the Si PD, which are key factors of nonlinearity, were suppressed by applying a reverse voltage above 30 V. Experimentally observed nonlinear behavior depending on the reverse bias was compared to a theoretical model describing supralinearity, including the inner parameters of the Si PD, and these comparison results were in agreement. This theoretical model enables us to quantitatively predict the behavior of the supralinearity of the inverse-layer-type Si PD in various reverse bias conditions. Accurate experimental nonlinearity supported by theoretical predictions will contribute to high-accuracy optical measurement with the Si PD over a wide range of optical power levels and various reverse-bias voltages.

  9. Bacterial regulon modeling and prediction based on systematic cis regulatory motif analyses

    Science.gov (United States)

    Liu, Bingqiang; Zhou, Chuan; Li, Guojun; Zhang, Hanyuan; Zeng, Erliang; Liu, Qi; Ma, Qin

    2016-03-01

    Regulons are the basic units of the response system in a bacterial cell, and each consists of a set of transcriptionally co-regulated operons. Regulon elucidation is the basis for studying the bacterial global transcriptional regulation network. In this study, we designed a novel co-regulation score between a pair of operons based on accurate operon identification and cis regulatory motif analyses, which can capture their co-regulation relationship much better than other scores. Taking full advantage of this discovery, we developed a new computational framework and built a novel graph model for regulon prediction. This model integrates the motif comparison and clustering and makes the regulon prediction problem substantially more solvable and accurate. To evaluate our prediction, a regulon coverage score was designed based on the documented regulons and their overlap with our prediction; and a modified Fisher Exact test was implemented to measure how well our predictions match the co-expressed modules derived from E. coli microarray gene-expression datasets collected under 466 conditions. The results indicate that our program consistently performed better than others in terms of the prediction accuracy. This suggests that our algorithms substantially improve the state-of-the-art, leading to a computational capability to reliably predict regulons for any bacteria.

  10. Integrating cross-case analyses and process tracing in set-theoretic research: Strategies and parameters of debate

    DEFF Research Database (Denmark)

    Beach, Derek; Rohlfing, Ingo

    2018-01-01

    – and their combination with process tracing. Our goal is to broaden and deepen set-theoretic empirical research and equip scholars with guidance on how to implement it in multi-method research (MMR). At first glance, set-theoretic cross-case methods and process tracing seem to be highly compatible when causal......In recent years, there has been increasing interest in the combination of two methods on the basis of set theory. In our introduction and this special issue, we focus on two variants of cross-case set-theoretic methods - Qualitative Comparative Analysis (QCA) and typological theory...... relationships are conceptualized in terms of set-theory. However, multiple issues have not so far been thoroughly addressed. Our paper builds on the emerging MMR literature and seeks to enhance it in four ways. First, we offer a comprehensive and coherent elaboration of the two sequences in which case studies...

  11. A Theoretical Approach to Predict the Fatigue Life of Flexible Pipes

    Directory of Open Access Journals (Sweden)

    José Renato M. de Sousa

    2012-01-01

    Full Text Available This paper focuses on a theoretical approach to access the fatigue life of flexible pipes. This methodology employs functions that convert forces and moments obtained in time-domain global analyses into stresses in their tensile armors. The stresses are then processed by well-known cycle counting methods, and S-N curves are used to evaluate the fatigue damage at several points in the pipe’s cross-section. Finally, Palmgren-Miner linear damage hypothesis is assumed in order to calculate the accumulated fatigue damage. A study on the fatigue life of a flexible pipe employing this methodology is presented. The main points addressed in the study are the influence of friction between layers, the effect of the annulus conditions, the importance of evaluating the fatigue life in various points of the pipe’s cross-section, and the effect of mean stresses. The results obtained suggest that the friction between layers and the annulus conditions strongly influences the fatigue life of flexible pipes. Moreover, mean stress effects are also significant, and at least half of the wires in each analyzed section of the pipe must be considered in a typical fatigue analysis.

  12. Rheological investigations on the theoretical predicted “Poisoning” effect in bidisperse ferrofluids

    Energy Technology Data Exchange (ETDEWEB)

    Siebert, E. [Chair of Magnetofluiddynamics, Measuring and Automation Technology, Technische Universität Dresden (Germany); Dupuis, V.; Neveu, S. [Sorbonne Universités, UPMC Univ Paris 06, UMR 8234, PHENIX, F-75005 Paris (France); CNRS, UMR 8234, PHENIX, F-75005 Paris (France); Odenbach, S., E-mail: stefan.odenbach@tu-dresden.de [Chair of Magnetofluiddynamics, Measuring and Automation Technology, Technische Universität Dresden (Germany)

    2015-01-15

    Interparticle interactions in ferrofluids especially the influence of small particles on the agglomeration behaviour of large particles were the topic of numerous theoretical predictions and simulations as well as of experimental investigations. In this context the “Poisoning” effect describes the decrease of the magnetoviscous effect in the presence of small particles in a bidisperse model fluid. In order to examine this effect rheological experiments have been carried out by means of a specially designed rheometer, which allows measurements under the influence of an applied magnetic field. We were able to synthesize ferrofluids with a narrow particle size distribution containing only small or large cobalt ferrite nanoparticles, which were mixed to receive various bidisperse fluid samples. With these fluids changes of the viscous behaviour in a magnetic field have been measured and compared according to their individual compositions. - Highlights: • Two ferrofluids containing either large or small particles were synthesized. • The “Poisoning” effect is not present in the observed fluid compositions. • The magnetoviscous effect increases with rising amount of small particles. • The usual shear thinning behaviour is suppressed by the presence of small particles. • The small particle influence parameter (SPIP) is introduced.

  13. Theoretical prediction of antiferromagnetism in layered perovskite Sr2TcO4

    Science.gov (United States)

    Horvat, Alen; Pourovskii, Leonid; Aichhorn, Markus; Mravlje, Jernej

    2017-05-01

    We theoretically investigate the magnetic properties of Sr2TcO4 , a 4 d transition-metal layered perovskite of the K2NiF4 type with half-filled t2 g states. The effect of local Coulomb repulsion between the t2 g orbitals is included within the density-functional theory (DFT) + U and DFT + dynamical mean-field theory (DMFT) methods. The DFT + DMFT predicts paramagnetic Sr2TcO4 to be close to the Mott insulator-to-metal transition, similarly to the cubic compound SrTcO3. The intersite exchange interactions computed within the DFT + DMFT framework point to a strong antiferromagnetic coupling between the neighboring Tc sites within the layer. We then evaluate the Néel temperature TN within a classical Monte Carlo approach including dipolar interactions, which stabilize the magnetic order in the frustrated K2NiF4 lattice structure. Our approach is validated by applying it to a set of layered and cubic perovskites, for which we obtain TN in fair agreement with experiment. Within the same approach we obtain the TN of Sr2TcO4 to be about 450 K. We explore also the effect of anisotropy in exchange interactions due to spin-orbit coupling. These lead to a somewhat higher transition temperature, 550 K.

  14. Theoretical prediction of experimental jump and pull-in dynamics in a MEMS sensor

    KAUST Repository

    Ruzziconi, Laura

    2014-09-15

    The present research study deals with an electrically actuated MEMS device. An experimental investigation is performed, via frequency sweeps in a neighbourhood of the first natural frequency. Resonant behavior is explored, with special attention devoted to jump and pull-in dynamics. A theoretical single degree-of-freedom spring-mass model is derived. Classical numerical simulations are observed to properly predict the main nonlinear features. Nevertheless, some discrepancies arise, which are particularly visible in the resonant branch. They mainly concern the practical range of existence of each attractor and the final outcome after its disappearance. These differences are likely due to disturbances, which are unavoidable in practice, but have not been included in the model. To take disturbances into account, in addition to the classical local investigations, we consider the global dynamics and explore the robustness of the obtained results by performing a dynamical integrity analysis. Our aim is that of developing an applicable confident estimate of the system response. Integrity profiles and integrity charts are built to detect the parameter range where reliability is practically strong and where it becomes weak. Integrity curves exactly follow the experimental data. They inform about the practical range of actuality. We discuss the combined use of integrity charts in the engineering design. Although we refer to a particular case-study, the approach is very general.

  15. Ion aggregation in high salt solutions. IV. Graph-theoretical analyses of ion aggregate structure and water hydrogen bonding network

    Science.gov (United States)

    Choi, Jun-Ho; Cho, Minhaeng

    2015-09-01

    Ions in high salt solutions form a variety of ion aggregates, from ion pairs to clusters and networks. Their influences on water hydrogen bonding (H-bonding) network structures have long been of great interest. Recently, we have shown that the morphological structures of ion aggregates can be analyzed by using a spectral graph analysis theory, where each ion cluster or ion network is represented by a properly defined graph with edges and vertices. Here, to further examine the network properties of ion aggregates and water H-bonding networks in high salt solutions, we consider a few representative graph-theoretical descriptors: clustering coefficient, minimum path length, global efficiency, and degree distribution of ion aggregates. From the molecular dynamics trajectories, these graph theoretical properties of ion aggregates and water structures in NaCl and kosmotropic solutions are calculated and shown to be strongly dependent on the two types of ion aggregate structures, i.e., ion cluster and ion network. Ion clusters in high NaCl solutions exhibit typical behaviors of scale free network. The corresponding graph theoretical properties of ion networks in high KSCN solutions are notably different from those of NaCl ion clusters and furthermore they are very similar to those of water hydrogen-bonding network. The present graph-theoretical analysis results indicate that the high solubility limits of KSCN and other ion-network-forming salts might originate from their ability to form a large scale morphological network that can be intertwined with co-existing water H-bonding network. Furthermore, it is shown that the graph-theoretical properties of water H-bonding network structures do not strongly depend on the nature of dissolved ions nor on the morphological structures of ion aggregates, indicating that water's H-bonding interaction and network-forming capability are highly robust. We anticipate that the present graph-theoretical analysis results of high salt

  16. Ion aggregation in high salt solutions. IV. Graph-theoretical analyses of ion aggregate structure and water hydrogen bonding network.

    Science.gov (United States)

    Choi, Jun-Ho; Cho, Minhaeng

    2015-09-14

    Ions in high salt solutions form a variety of ion aggregates, from ion pairs to clusters and networks. Their influences on water hydrogen bonding (H-bonding) network structures have long been of great interest. Recently, we have shown that the morphological structures of ion aggregates can be analyzed by using a spectral graph analysis theory, where each ion cluster or ion network is represented by a properly defined graph with edges and vertices. Here, to further examine the network properties of ion aggregates and water H-bonding networks in high salt solutions, we consider a few representative graph-theoretical descriptors: clustering coefficient, minimum path length, global efficiency, and degree distribution of ion aggregates. From the molecular dynamics trajectories, these graph theoretical properties of ion aggregates and water structures in NaCl and kosmotropic solutions are calculated and shown to be strongly dependent on the two types of ion aggregate structures, i.e., ion cluster and ion network. Ion clusters in high NaCl solutions exhibit typical behaviors of scale free network. The corresponding graph theoretical properties of ion networks in high KSCN solutions are notably different from those of NaCl ion clusters and furthermore they are very similar to those of water hydrogen-bonding network. The present graph-theoretical analysis results indicate that the high solubility limits of KSCN and other ion-network-forming salts might originate from their ability to form a large scale morphological network that can be intertwined with co-existing water H-bonding network. Furthermore, it is shown that the graph-theoretical properties of water H-bonding network structures do not strongly depend on the nature of dissolved ions nor on the morphological structures of ion aggregates, indicating that water's H-bonding interaction and network-forming capability are highly robust. We anticipate that the present graph-theoretical analysis results of high salt

  17. A Bayesian network model for predicting aquatic toxicity mode of action using two dimensional theoretical molecular descriptors

    Energy Technology Data Exchange (ETDEWEB)

    Carriger, John F. [U.S. Environmental Protection Agency, Office of Research and Development, Gulf Ecology Division, Gulf Breeze, FL, 32561 (United States); Martin, Todd M. [U.S. Environmental Protection Agency, Office of Research and Development, Sustainable Technology Division, Cincinnati, OH, 45220 (United States); Barron, Mace G., E-mail: barron.mace@epa.gov [U.S. Environmental Protection Agency, Office of Research and Development, Gulf Ecology Division, Gulf Breeze, FL, 32561 (United States)

    2016-11-15

    Highlights: • A Bayesian network was developed to classify chemical mode of action (MoA). • The network was based on the aquatic toxicity MoA for over 1000 chemicals. • A Markov blanket algorithm selected a subset of theoretical molecular descriptors. • Sensitivity analyses found influential descriptors for classifying the MoAs. • Overall precision of the Bayesian MoA classification model was 80%. - Abstract: The mode of toxic action (MoA) has been recognized as a key determinant of chemical toxicity, but development of predictive MoA classification models in aquatic toxicology has been limited. We developed a Bayesian network model to classify aquatic toxicity MoA using a recently published dataset containing over one thousand chemicals with MoA assignments for aquatic animal toxicity. Two dimensional theoretical chemical descriptors were generated for each chemical using the Toxicity Estimation Software Tool. The model was developed through augmented Markov blanket discovery from the dataset of 1098 chemicals with the MoA broad classifications as a target node. From cross validation, the overall precision for the model was 80.2%. The best precision was for the AChEI MoA (93.5%) where 257 chemicals out of 275 were correctly classified. Model precision was poorest for the reactivity MoA (48.5%) where 48 out of 99 reactive chemicals were correctly classified. Narcosis represented the largest class within the MoA dataset and had a precision and reliability of 80.0%, reflecting the global precision across all of the MoAs. False negatives for narcosis most often fell into electron transport inhibition, neurotoxicity or reactivity MoAs. False negatives for all other MoAs were most often narcosis. A probabilistic sensitivity analysis was undertaken for each MoA to examine the sensitivity to individual and multiple descriptor findings. The results show that the Markov blanket of a structurally complex dataset can simplify analysis and interpretation by

  18. Quantitative Prediction of Coalbed Gas Content Based on Seismic Multiple-Attribute Analyses

    Directory of Open Access Journals (Sweden)

    Renfang Pan

    2015-09-01

    Full Text Available Accurate prediction of gas planar distribution is crucial to selection and development of new CBM exploration areas. Based on seismic attributes, well logging and testing data we found that seismic absorption attenuation, after eliminating the effects of burial depth, shows an evident correlation with CBM gas content; (positive structure curvature has a negative correlation with gas content; and density has a negative correlation with gas content. It is feasible to use the hydrocarbon index (P*G and pseudo-Poisson ratio attributes for detection of gas enrichment zones. Based on seismic multiple-attribute analyses, a multiple linear regression equation was established between the seismic attributes and gas content at the drilling wells. Application of this equation to the seismic attributes at locations other than the drilling wells yielded a quantitative prediction of planar gas distribution. Prediction calculations were performed for two different models, one using pre-stack inversion and the other one disregarding pre-stack inversion. A comparison of the results indicates that both models predicted a similar trend for gas content distribution, except that the model using pre-stack inversion yielded a prediction result with considerably higher precision than the other model.

  19. HHV Predicting Correlations for Torrefied Biomass Using Proximate and Ultimate Analyses

    Directory of Open Access Journals (Sweden)

    Daya Ram Nhuchhen

    2017-01-01

    Full Text Available Many correlations are available in the literature to predict the higher heating value (HHV of raw biomass using the proximate and ultimate analyses. Studies on biomass torrefaction are growing tremendously, which suggest that the fuel characteristics, such as HHV, proximate analysis and ultimate analysis, have changed significantly after torrefaction. Such changes may cause high estimation errors if the existing HHV correlations were to be used in predicting the HHV of torrefied biomass. No study has been carried out so far to verify this. Therefore, this study seeks answers to the question: “Can the existing correlations be used to determine the HHV of the torrefied biomass”? To answer this, the existing HHV predicting correlations were tested using torrefied biomass data points. Estimation errors were found to be significantly high for the existing HHV correlations, and thus, they are not suitable for predicting the HHV of the torrefied biomass. New correlations were then developed using data points of torrefied biomass. The ranges of reported data for HHV, volatile matter (VM, fixed carbon (FC, ash (ASH, carbon (C, hydrogen (H and oxygen (O contents were 14.90 MJ/kg–33.30 MJ/kg, 13.30%–88.57%, 11.25%–82.74%, 0.08%–47.62%, 35.08%–86.28%, 0.53%–7.46% and 4.31%–44.70%, respectively. Correlations with the minimum mean absolute errors and having all components of proximate and ultimate analyses were selected for future use. The selected new correlations have a good accuracy of prediction when they are validated using another set of data (26 samples. Thus, these new and more accurate correlations can be useful in modeling different thermochemical processes, including combustion, pyrolysis and gasification processes of torrefied biomass.

  20. Prediction of metabolic fluxes by incorporating genomic context and flux-converging pattern analyses.

    Science.gov (United States)

    Park, Jong Myoung; Kim, Tae Yong; Lee, Sang Yup

    2010-08-17

    Flux balance analysis (FBA) of a genome-scale metabolic model allows calculation of intracellular fluxes by optimizing an objective function, such as maximization of cell growth, under given constraints, and has found numerous applications in the field of systems biology and biotechnology. Due to the underdetermined nature of the system, however, it has limitations such as inaccurate prediction of fluxes and existence of multiple solutions for an optimal objective value. Here, we report a strategy for accurate prediction of metabolic fluxes by FBA combined with systematic and condition-independent constraints that restrict the achievable flux ranges of grouped reactions by genomic context and flux-converging pattern analyses. Analyses of three types of genomic contexts, conserved genomic neighborhood, gene fusion events, and co-occurrence of genes across multiple organisms, were performed to suggest a group of fluxes that are likely on or off simultaneously. The flux ranges of these grouped reactions were constrained by flux-converging pattern analysis. FBA of the Escherichia coli genome-scale metabolic model was carried out under several different genotypic (pykF, zwf, ppc, and sucA mutants) and environmental (altered carbon source) conditions by applying these constraints, which resulted in flux values that were in good agreement with the experimentally measured (13)C-based fluxes. Thus, this strategy will be useful for accurately predicting the intracellular fluxes of large metabolic networks when their experimental determination is difficult.

  1. Theoretical and practical approaches for prediction of drug-polymer miscibility and solubility.

    Science.gov (United States)

    Marsac, Patrick J; Shamblin, Sheri L; Taylor, Lynne S

    2006-10-01

    Crystallization of drugs formulated in the amorphous form may lead to reduced apparent solubility, decreased rate of dissolution and bioavailability and compromise the physical integrity of the solid dosage form. The purpose of this work was to develop thermodynamic approaches, both practical and theoretical, that will yield a better understanding of which factors are most important for determining the ability of polymers to stabilize amorphous active pharmaceutical ingredients (API). Lattice based solution models were used to examine miscibility criteria in API-polymer blends. Different methods were used to estimate the Flory-Huggins interaction parameter for model API-polymer systems consisting of felodipine or nifedipine with poly(vinylpyrrolidone) (PVP). These were melting point depression and determination of solubility parameters using group contribution theory. The temperature and enthalpy of fusion of crystalline API alone and the fusion temperature of the API in the presence of the polymer were measured by differential scanning calorimetry. The resultant thermal data were used to estimate the reduced driving force for crystallization and the solubility of the API in the polymer. Flory-Huggins theory predicts that, for typical API-polymer systems, the entropy of mixing is always favorable and should be relatively constant. Due to the favorable entropy of mixing, miscibility can still be achieved in systems with a certain extent of unfavorable enthalpic interactions. For the model systems, interaction parameters derived from melting point depression were negative indicating that mixing was exothermic. Using these interaction parameters and Flory-Huggins theory, miscibility was predicted for all compositions, in agreement with experimental data. A model was developed to estimate the solubility of the API in the polymer. The estimated solubility of the model APIs in PVP is low suggesting that kinetic rather than thermodynamic stabilization plays a significant

  2. Excited state properties of the chromophore of the asFP595 chromoprotein: 2D and 3D theoretical analyses

    Science.gov (United States)

    Sun, Mengtao

    The ground and excited state properties (e.g., the intramolecular charge and energy transfer, and electron-hole coherence) of the chromophore of the asFP595 chromoprotein from Anemonia sulcata in the neutral and anionic forms are theoretically studied with quantum chemistry methods. The ground-state properties of the asFP595 in the neutral and anionic forms, such as the alternations of the bond lengths and the Mulliken charge distributions, are compared. The calculated transition energies of the asFP595 in the neutral and anionic form are consistent with the experimental results. To study the excited state properties of the asFP595 chromophore, the energies and densities of highest occupied molecular orbitals (HOMOs) and lowest unoccupied molecular orbitals (LUMOs), as well as the CI main coefficients, are compared between the two forms. The intramolecular charge and energy transfer in the neutral and anionic forms are investigated and compared with the three-dimensional (3D) real-space analysis methods, including the strength and orientation of the transition dipoles with transition density, and the orientation and result of the intramolecular charge transfer with charge difference density. The electron-hole coherence and delocalization on the excitation are studied with the 2D real-space analysis method of the transition density matrix. In all, the calculated results are remain in good agreement with the experimental data, and the theoretical analysis results supported the proposed models in the experiment.

  3. Protein function prediction by massive integration of evolutionary analyses and multiple data sources.

    Science.gov (United States)

    Cozzetto, Domenico; Buchan, Daniel W A; Bryson, Kevin; Jones, David T

    2013-01-01

    Accurate protein function annotation is a severe bottleneck when utilizing the deluge of high-throughput, next generation sequencing data. Keeping database annotations up-to-date has become a major scientific challenge that requires the development of reliable automatic predictors of protein function. The CAFA experiment provided a unique opportunity to undertake comprehensive 'blind testing' of many diverse approaches for automated function prediction. We report on the methodology we used for this challenge and on the lessons we learnt. Our method integrates into a single framework a wide variety of biological information sources, encompassing sequence, gene expression and protein-protein interaction data, as well as annotations in UniProt entries. The methodology transfers functional categories based on the results from complementary homology-based and feature-based analyses. We generated the final molecular function and biological process assignments by combining the initial predictions in a probabilistic manner, which takes into account the Gene Ontology hierarchical structure. We propose a novel scoring function called COmbined Graph-Information Content similarity (COGIC) score for the comparison of predicted functional categories and benchmark data. We demonstrate that our integrative approach provides increased scope and accuracy over both the component methods and the naïve predictors. In line with previous studies, we find that molecular function predictions are more accurate than biological process assignments. Overall, the results indicate that there is considerable room for improvement in the field. It still remains for the community to invest a great deal of effort to make automated function prediction a useful and routine component in the toolbox of life scientists. As already witnessed in other areas, community-wide blind testing experiments will be pivotal in establishing standards for the evaluation of prediction accuracy, in fostering

  4. Prediction of composition for stable half-Heusler phases from electronic-band-structure analyses

    Energy Technology Data Exchange (ETDEWEB)

    Offernes, L. [Department of Chemistry, University of Oslo, P.O. Box 1033, Blindern, N-0315 Oslo (Norway)], E-mail: Laila.offernes@kjemi.uio.no; Ravindran, P.; Seim, C.W.; Kjekshus, A. [Department of Chemistry, University of Oslo, P.O. Box 1033, Blindern, N-0315 Oslo (Norway)

    2008-06-30

    This report describes a procedure to predict the frequently occurring non-stoichiometry of the half-Heusler XYZ alloys (viz. deviations from the equiatomic 1:1:1 composition and the usually accompanied narrow homogeneity regions) from ab initio calculated electronic-band-structure characteristics. The essential feature of this approach is to utilize the valence electron content (VEC) and the calculated electronic band structure to expose factors that according to rigid-band considerations should determine the possible deviations from 1:1:1 stoichiometry and direction of the stable solid-solution regions. These means have been used to predict the direction of equilibrium solid-solution regions for a number of ternary phase diagrams that comprise half-Heusler phases and the predictions have been tested with experimental data from literature and presently synthesized and microprobe analysed samples of NiTiSn, PtTiSn, CoTiSb, PtMnSb, NiMnSb, and CoMnSb. The predictions are made based on maximum band filling of bonding states identified through the crystal-orbital-Hamilton population (COHP) analysis and density-of-states (DOS) integration.

  5. Predicting disturbed parental awareness in mothers with a newborn infant : Test of a theoretical model

    NARCIS (Netherlands)

    Grietens, H; Hellinckx, W

    Parental awareness refers to parents' perceptions and making sense out of children's responses and behaviours. This study examined a theoretical model on the determinants of disturbed parental awareness, with a central place given to Belsky's buffer hypothesis. Maternal characteristics were

  6. Comparison of statistical and theoretical habitat models for conservation planning: the benefit of ensemble prediction

    Science.gov (United States)

    Jones-Farrand, D. Todd; Fearer, Todd M.; Thogmartin, Wayne E.; Thompson, Frank R.; Nelson, Mark D.; Tirpak, John M.

    2011-01-01

    Selection of a modeling approach is an important step in the conservation planning process, but little guidance is available. We compared two statistical and three theoretical habitat modeling approaches representing those currently being used for avian conservation planning at landscape and regional scales: hierarchical spatial count (HSC), classification and regression tree (CRT), habitat suitability index (HSI), forest structure database (FS), and habitat association database (HA). We focused our comparison on models for five priority forest-breeding species in the Central Hardwoods Bird Conservation Region: Acadian Flycatcher, Cerulean Warbler, Prairie Warbler, Red-headed Woodpecker, and Worm-eating Warbler. Lacking complete knowledge on the distribution and abundance of each species with which we could illuminate differences between approaches and provide strong grounds for recommending one approach over another, we used two approaches to compare models: rank correlations among model outputs and comparison of spatial correspondence. In general, rank correlations were significantly positive among models for each species, indicating general agreement among the models. Worm-eating Warblers had the highest pairwise correlations, all of which were significant (P , 0.05). Red-headed Woodpeckers had the lowest agreement among models, suggesting greater uncertainty in the relative conservation value of areas within the region. We assessed model uncertainty by mapping the spatial congruence in priorities (i.e., top ranks) resulting from each model for each species and calculating the coefficient of variation across model ranks for each location. This allowed identification of areas more likely to be good targets of conservation effort for a species, those areas that were least likely, and those in between where uncertainty is higher and thus conservation action incorporates more risk. Based on our results, models developed independently for the same purpose

  7. Predicting Excitonic Gaps of Semiconducting Single Walled Carbon Nanotubes From a Field Theoretic Analysis

    OpenAIRE

    Konik, Robert M.; Sfeir, Matthew Y.; Misewich, James A.

    2014-01-01

    We demonstrate that a non-perturbative framework for the treatment of the excitations of single walled carbon nanotubes based upon a field theoretic reduction is able to accurately describe experiment observations of the absolute values of excitonic energies. This theoretical framework yields a simple scaling function from which the excitonic energies can be read off. This scaling function is primarily determined by a single parameter, the charge Luttinger parameter of the tube, which is in t...

  8. Functional enrichment analyses and construction of functional similarity networks with high confidence function prediction by PFP

    Directory of Open Access Journals (Sweden)

    Kihara Daisuke

    2010-05-01

    Full Text Available Abstract Background A new paradigm of biological investigation takes advantage of technologies that produce large high throughput datasets, including genome sequences, interactions of proteins, and gene expression. The ability of biologists to analyze and interpret such data relies on functional annotation of the included proteins, but even in highly characterized organisms many proteins can lack the functional evidence necessary to infer their biological relevance. Results Here we have applied high confidence function predictions from our automated prediction system, PFP, to three genome sequences, Escherichia coli, Saccharomyces cerevisiae, and Plasmodium falciparum (malaria. The number of annotated genes is increased by PFP to over 90% for all of the genomes. Using the large coverage of the function annotation, we introduced the functional similarity networks which represent the functional space of the proteomes. Four different functional similarity networks are constructed for each proteome, one each by considering similarity in a single Gene Ontology (GO category, i.e. Biological Process, Cellular Component, and Molecular Function, and another one by considering overall similarity with the funSim score. The functional similarity networks are shown to have higher modularity than the protein-protein interaction network. Moreover, the funSim score network is distinct from the single GO-score networks by showing a higher clustering degree exponent value and thus has a higher tendency to be hierarchical. In addition, examining function assignments to the protein-protein interaction network and local regions of genomes has identified numerous cases where subnetworks or local regions have functionally coherent proteins. These results will help interpreting interactions of proteins and gene orders in a genome. Several examples of both analyses are highlighted. Conclusion The analyses demonstrate that applying high confidence predictions from PFP

  9. Improved solubility and bioactivity of theophylline (a bronchodilator drug) through its new nitrate salt analysed by experimental and theoretical approaches

    Science.gov (United States)

    Mary Novena, L.; Suresh Kumar, S.; Athimoolam, S.

    2016-07-01

    Synthesis, crystal structure, vibrational spectroscopy, quantum chemical studies and biological activity of the new semi organic compound, Theophyllinium Nitrate [C7H9N4 O2)+. (NO3)-], are reported here. Crystals of Theophyllinium nitrate (TN) were grown by slow solvent evaporation technique. The crystal packing is dominated by N-H···O intermolecular hydrogen bonds. The cations and anions are aggregated almost parallel leading to a lamellar structure. This molecular aggregation features two alternate hydrogen bonded chain C22(8) and C21(6) motifs. Further, a bifurcated ring R12(4) motifs is also seen. This aggregated molecular sheets are parallel to (2 bar 06) and (20 6 bar) planes of the crystal. The solubility test is carried out to enhance the physico-chemical activity of the compound. The atomic charge distribution on different atoms of TN has been calculated by Mulliken charge analysis. A detailed interpretation of FT-IR and FT-Raman spectra of TN show that most of the bands are matching between the experimental and theoretical methods. The strong intensity bands and shifting of bands due to intermolecular hydrogen bonds are also investigated. The NBO analysis is carried out to elucidate the stability of the molecule and charge delocalization within the molecule. The HOMO-LUMO analysis reveals molecular stability and chemical reactivity of the present compound. Also, the compound was examined for its antibacterial activity and found to exhibit notable activity against Pseudomonas aeruginosa. This shows that the present compound is a good candidate for the antimicrobial agent apart from its inherent Bronchodilator drug property. Hence, the new compound (TN) may be a good alternative for patients with Chronic Obstructive Pulmonary Disease (COPD) and bacterial infections.

  10. The brightness of the red giant branch tip. Theoretical framework, a set of reference models, and predicted observables

    Science.gov (United States)

    Serenelli, A.; Weiss, A.; Cassisi, S.; Salaris, M.; Pietrinferni, A.

    2017-10-01

    Context. The brightness of the tip of the red giant branch is a useful reference quantity for several fields of astrophysics. An accurate theoretical prediction is needed for such purposes. Aims: We provide a solid theoretical prediction for the brightness of the tip of the red giant branch, valid for a reference set of standard physical assumptions, and mostly independent of numerical details. Methods: We examine the dependence on physical assumptions and numerical details for a wide range of metallicities and masses and based on two different stellar evolution codes. We adjust differences between the codes to treat the physics as identically as possible. After we have succeeded in reproducing the tip brightness between the codes, we present a reference set of models based on the most up to date physical inputs, but neglecting microscopic diffusion, and convert theoretical luminosities to observed infrared colours suitable for observations of resolved populations of stars and include analytic fits to facilitate their use. Results: We find that consistent use of updated nuclear reactions, including an appropriate treatment of the electron screening effects, and careful time-stepping on the upper red giant branch are the most important aspects to bring initially discrepant theoretical values into agreement. Small but visible differences remain unexplained for very low metallicities and mass values at and above 1.2 M⊙, corresponding to ages younger than 4 Gyr. The colour transformations introduce larger uncertainties than the differences between the two stellar evolution codes. Conclusions: We demonstrate that careful stellar modelling allows an accurate prediction for the luminosity of the red giant branch tip. Differences to empirically determined brightnesses may result either from insufficient colour transformations or from deficits in the constitutional physics. We present the best-tested theoretical reference values to date.

  11. High Speed Research Noise Prediction Code (HSRNOISE) User's and Theoretical Manual

    Science.gov (United States)

    Golub, Robert (Technical Monitor); Rawls, John W., Jr.; Yeager, Jessie C.

    2004-01-01

    This report describes a computer program, HSRNOISE, that predicts noise levels for a supersonic aircraft powered by mixed flow turbofan engines with rectangular mixer-ejector nozzles. It fully documents the noise prediction algorithms, provides instructions for executing the HSRNOISE code, and provides predicted noise levels for the High Speed Research (HSR) program Technology Concept (TC) aircraft. The component source noise prediction algorithms were developed jointly by Boeing, General Electric Aircraft Engines (GEAE), NASA and Pratt & Whitney during the course of the NASA HSR program. Modern Technologies Corporation developed an alternative mixer ejector jet noise prediction method under contract to GEAE that has also been incorporated into the HSRNOISE prediction code. Algorithms for determining propagation effects and calculating noise metrics were taken from the NASA Aircraft Noise Prediction Program.

  12. Design and Antigenic Epitopes Prediction of a New Trial Recombinant Multiepitopic Rotaviral Vaccine: In Silico Analyses.

    Science.gov (United States)

    Jafarpour, Sima; Ayat, Hoda; Ahadi, Ali Mohammad

    2015-01-01

    Rotavirus is the major etiologic factor of severe diarrheal disease. Natural infection provides protection against subsequent rotavirus infection and diarrhea. This research presents a new vaccine designed based on computational models. In this study, three types of epitopes are considered-linear, conformational, and combinational-in a proposed model protein. Several studies on rotavirus vaccines have shown that VP6 and VP4 proteins are good candidates for vaccine production. In the present study, a fusion protein was designed as a new generation of rotavirus vaccines by bioinformatics analyses. This model-based study using ABCpred, BCPREDS, Bcepred, and Ellipro web servers showed that the peptide presented in this article has the necessary properties to act as a vaccine. Prediction of linear B-cell epitopes of peptides is helpful to investigate whether these peptides are able to activate humoral immunity.

  13. Simple Computation of the Heat of Formation and Density from Theoretically Predicted Values

    Science.gov (United States)

    2012-09-01

    Hare, J. J.; Byrd, E.F.C. J. Phys. Chem. A 2007, 111 (42), 10874–10879. 4. Atkins , P. W. Physical Chemistry ; Oxford University Press: Oxford, 1982...Solvent Interactions, (Politzer P.; Murray, J. S., Editors), Theoretical and Computational Chemistry 1994, 1, Elsevier Scientific, Amsterdam, pp. 243

  14. Intrasubject Predictions of Vocational Preference: Convergent Validation via the Decision Theoretic Paradigm.

    Science.gov (United States)

    Monahan, Carlyn J.; Muchinsky, Paul M.

    1985-01-01

    The degree of convergent validity among four methods of identifying vocational preferences is assessed via the decision theoretic paradigm. Vocational preferences identified by Holland's Vocational Preference Inventory (VPI), a rating procedure, and ranking were compared with preferences identified from a policy-capturing model developed from an…

  15. A comparison between numerical predictions and theoretical and experimental results for laminar core-annular flow

    NARCIS (Netherlands)

    Beerens, J.C.; Ooms, G.; Pourquie, M.J.B.M.; Westerweel, J.

    2014-01-01

    high-viscosity liquid core surrounded by a laminar low-viscosity liquid annular layer through a vertical pipe. The numerical results are compared with theoretical results from linear stability calculations and with experimental data. The comparison is good and the general conclusion of our study is

  16. PASMet: a web-based platform for prediction, modelling and analyses of metabolic systems.

    Science.gov (United States)

    Sriyudthsak, Kansuporn; Mejia, Ramon Francisco; Arita, Masanori; Hirai, Masami Yokota

    2016-07-08

    PASMet (Prediction, Analysis and Simulation of Metabolic networks) is a web-based platform for proposing and verifying mathematical models to understand the dynamics of metabolism. The advantages of PASMet include user-friendliness and accessibility, which enable biologists and biochemists to easily perform mathematical modelling. PASMet offers a series of user-functions to handle the time-series data of metabolite concentrations. The functions are organised into four steps: (i) Prediction of a probable metabolic pathway and its regulation; (ii) Construction of mathematical models; (iii) Simulation of metabolic behaviours; and (iv) Analysis of metabolic system characteristics. Each function contains various statistical and mathematical methods that can be used independently. Users who may not have enough knowledge of computing or programming can easily and quickly analyse their local data without software downloads, updates or installations. Users only need to upload their files in comma-separated values (CSV) format or enter their model equations directly into the website. Once the time-series data or mathematical equations are uploaded, PASMet automatically performs computation on server-side. Then, users can interactively view their results and directly download them to their local computers. PASMet is freely available with no login requirement at http://pasmet.riken.jp/ from major web browsers on Windows, Mac and Linux operating systems. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

  17. Theoretical approaches for predicting the color of rigid dyes in solution.

    Science.gov (United States)

    Di Tommaso, Stefania; Bousquet, Diane; Moulin, Delphine; Baltenneck, Frédéric; Riva, Priscilla; David, Hervé; Fadli, Aziz; Gomar, Jérôme; Ciofini, Ilaria; Adamo, Carlo

    2017-05-15

    Aiming at developing an affordable and easily implementable computational protocol for routine prediction of spectral properties of rigid molecular dyes, density functional theory, and time-dependent density functional theory were used in conjunction with a vibronic coupling scheme for band shape estimate. To predict the perceived color of molecules in solution, a model has been setup linking the UV-vis spectra predicted at ab initio level to the L*a*b* colorimetric parameters. The results show that a mixed protocol, implying the use of a global hybrid functional for the prediction of adiabatic energy differences and a range separated hybrid for the prediction of potential energy curvature, allows perceived colors to be quantitatively predicted, as demonstrated by the comparison of L*a*b* colorimetric parameters obtained from computed and experimental spectra. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  18. Predictive Engineering Tools for Injection-Molded Long-Carbon-Thermoplastic Composites: Weight and Cost Analyses

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Ba Nghiep [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Fifield, Leonard S. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Gandhi, Umesh N. [Toyota Research Inst. North America, Ann Arbor, MI (United States); Mori, Steven [MAGNA Exteriors and Interiors Corporation, Aurora, ON (Canada); Wollan, Eric J. [PlastiComp, Inc., Winona, MN (United States)

    2016-08-01

    This project proposed to integrate, optimize and validate the fiber orientation and length distribution models previously developed and implemented in the Autodesk Simulation Moldflow Insight (ASMI) package for injection-molded long-carbon-fiber thermoplastic composites into a cohesive prediction capability. The current effort focused on rendering the developed models more robust and efficient for automotive industry part design to enable weight savings and cost reduction. The project goal has been achieved by optimizing the developed models, improving and integrating their implementations in ASMI, and validating them for a complex 3D LCF thermoplastic automotive part (Figure 1). Both PP and PA66 were used as resin matrices. After validating ASMI predictions for fiber orientation and fiber length for this complex part against the corresponding measured data, in collaborations with Toyota and Magna PNNL developed a method using the predictive engineering tool to assess LCF/PA66 complex part design in terms of stiffness performance. Structural three-point bending analyses of the complex part and similar parts in steel were then performed for this purpose, and the team has then demonstrated the use of stiffness-based complex part design assessment to evaluate weight savings relative to the body system target (≥ 35%) set in Table 2 of DE-FOA-0000648 (AOI #1). In addition, starting from the part-to-part analysis, the PE tools enabled an estimated weight reduction for the vehicle body system using 50 wt% LCF/PA66 parts relative to the current steel system. Also, from this analysis an estimate of the manufacturing cost including the material cost for making the equivalent part in steel has been determined and compared to the costs for making the LCF/PA66 part to determine the cost per “saved” pound.

  19. Development of Simple Drying Model for Performance Prediction of Solar Dryer: Theoretical Analysis

    DEFF Research Database (Denmark)

    Singh, Shobhana; Kumar, Subodh

    2012-01-01

    An analytical moisture diffusion model which considers the influence of external resistance to mass transfer is developed to predict thermal performance of dryer system. The moisture diffusion coefficient, Deff that is necessary to evaluate the prediction model has been determined in terms of exp...

  20. A comparison between numerical predictions and theoretical and experimental results for laminar core-annular flow

    OpenAIRE

    Beerens, J.C.; Ooms, G.; Pourquie, M.J.B.M.; Westerweel, J.

    2014-01-01

    high-viscosity liquid core surrounded by a laminar low-viscosity liquid annular layer through a vertical pipe. The numerical results are compared with theoretical results from linear stability calculations and with experimental data. The comparison is good and the general conclusion of our study is that it is very well possible to simulate laminar core-annular flow in a pipe using the volume-of-fluid method.

  1. Theoretical Predictions of the thermodynamic Properties of Solid Sorbents Capture CO2 Applications

    Energy Technology Data Exchange (ETDEWEB)

    Duan, Yuhua; Sorescu, Dan; Luebke David; Pennline, Henry

    2012-05-02

    We are establishing a theoretical procedure to identify most potential candidates of CO{sub 2} solid sorbents from a large solid material databank to meet the DOE programmatic goal for energy conversion; and to explore the optimal working conditions for the promising CO{sub 2} solid sorbents, especially from room to warm T ranges with optimal energy usage, used for both pre- and post-combustion capture technologies.

  2. Ultrasonic Imaging and Theoretical Prediction of Orthotropic Plate Stiffness in all Planar Directions

    Energy Technology Data Exchange (ETDEWEB)

    Telschow, Kenneth Louis; Deason, Vance Albert; Mukdadi, O.; Datta, S. K.

    2000-07-01

    Exact and approximate theoretical analysis of the wavelengths of plate wave mode propagation in all planar directions for the dispersive antisymmetric Lamb wave mode are compared with measurements from a laser ultrasonic imaging approach that records the out of plane ultrasonic motion over a large area in a single frame without scanning. Good agreement is demonstrated, based on independent determination of the elastic constants, for two different types of paper.

  3. A theoretical model to predict customer satisfaction in relation to service quality in selected university libraries in Sri Lanka

    Directory of Open Access Journals (Sweden)

    Chaminda Jayasundara

    2009-01-01

    Full Text Available University library administrators in Sri Lanka have begun to search for alternative ways to satisfy their clientele on the basis of service quality. This article aims at providing a theoretical model to facilitate the identification of service quality attributes and domains that may be used to predict customer satisfaction from a service quality perspective. The effectiveness of existing service quality models such as LibQUAL, SERVQUAL and SERVPREF have been questioned. In that regard, this study developed a theoretical model for academic libraries in Sri Lanka based on the disconfirmation and performance-only paradigms. These perspectives were considered by researchers to be the core mechanism to develop service quality/customer satisfaction models. The attributes and domain identification of service quality was carried out with a stratified sample of 263 participants selected from postgraduate and undergraduate students and academic staff members from the faculties of Arts in four universities in Sri Lanka. The study established that responsiveness, supportiveness, building environment, collection and access, furniture and facilities, technology, Web services and service delivery were quality domains which can be used to predict customer satisfaction. The theoretical model is unique in its domain structure compared to the existing models. The model needs to be statistically tested to make it valid and parsimonious.

  4. Prediction of the dollar to the ruble rate. A system-theoretic approach

    Science.gov (United States)

    Borodachev, Sergey M.

    2017-07-01

    Proposed a simple state-space model of dollar rate formation based on changes in oil prices and some mechanisms of money transfer between monetary and stock markets. Comparison of predictions by means of input-output model and state-space model is made. It concludes that with proper use of statistical data (Kalman filter) the second approach provides more adequate predictions of the dollar rate.

  5. Theoretical Prediction of Vibrational Circular Dichroism of Hexoses in Linear Form

    Science.gov (United States)

    1992-06-01

    D. Zeroka, G. R. Famini , J. 0. Jensen, A. H. Carrieri, and C. F. Chabalowski, Theoreti- cal Prediction of Vibrational Circular Dichroism Spectra...Jensen, A. H. Carrieri, G. R. Famini , and C. F. Chabalowski, Theoreti- cal Prediction of Vibrational Circular Dichroism Spectra of Sugars, Summer 1990 U.S...1983), Chapter 3. 15. J. M. Leonard and G. R. Famini , A User’s Guide to the Molecular Modelling, Analysis, Display System (MMADS)", 2" ed., CRDEC-TR

  6. Psychosocial Factors and Sport Injuries: Meta-analyses for Prediction and Prevention.

    Science.gov (United States)

    Ivarsson, Andreas; Johnson, Urban; Andersen, Mark B; Tranaeus, Ulrika; Stenling, Andreas; Lindwall, Magnus

    2017-02-01

    Several studies have suggested that psychosocial variables can increase the risk of becoming injured during sport participation. The main objectives of these meta-analyses were to examine (i) the effect sizes of relationships between the psychosocial variables (suggested as injury predictors in the model of stress and athletic injury) and injury rates, and (ii) the effects of psychological interventions aimed at reducing injury occurrence (prevention). Electronic databases as well as specific sport and exercise psychology journals were searched. The literature review resulted in 48 published studies containing 161 effect sizes for injury prediction and seven effect sizes for injury prevention. The results showed that stress responses (r = 0.27, 80 % CI [0.20, 0.33]) and history of stressors (r = 0.13, 80 % CI [0.11, 0.15]) had the strongest associations with injury rates. Also, the results from the path analysis showed that the stress response mediated the relationship between history of stressors and injury rates. For injury prevention studies, all studies included (N = 7) showed decreased injury rates in the treatment groups compared to control groups. The results support the model's suggestion that psychosocial variables, as well as psychologically, based interventions, can influence injury risk among athletes.

  7. Predictive analyses of ground-water discharges in the Willow Creek Watershed, northeast Nebraska

    Science.gov (United States)

    Dugan, Jack T.; Lappala, E.G.

    1978-01-01

    Ground-water discharge to Willow Creek in northeast Nebraska was predicted with a digital model of the ground-water/surface-water system. Recharge and irrigation requirements were determined with a model of the soil zone. The regional aquifer is Pliocene and Pleistocene sands and gravels. Water in the regional aquifer is unconfined in the western part of the watershed and confined in the eastern part. The confining layer is Pleistocene eolian silts with very fine sand interbeds overlying a basal clay. Where the regional aquifer is unconfined, perennial flow of Willow Creek is sustained by ground-water discharge. Where it is confined, the low hydraulic conductivity of the confining beds isolates the regional aquifer from Willow Creek. Adequate agreement between simulated and observed streamflows and water levels during 1975 and 1976 was obtained by modifying initial estimates of hydraulic conductivity and specific storage. The future perennial flow of Willow Creek was simulated by superimposing six patterns of ground-water withdrawals upon variations in recharge for a monthly climatic sequence identical with the period 1931-34. These analyses showed that the perennial monthly flows would be less than 12 cubic feet per second at least 50 percent of the time. (Woodard-USGS)

  8. Recombination rate variation and speciation: theoretical predictions and empirical results from rabbits and mice.

    Science.gov (United States)

    Nachman, Michael W; Payseur, Bret A

    2012-02-05

    Recently diverged taxa may continue to exchange genes. A number of models of speciation with gene flow propose that the frequency of gene exchange will be lower in genomic regions of low recombination and that these regions will therefore be more differentiated. However, several population-genetic models that focus on selection at linked sites also predict greater differentiation in regions of low recombination simply as a result of faster sorting of ancestral alleles even in the absence of gene flow. Moreover, identifying the actual amount of gene flow from patterns of genetic variation is tricky, because both ancestral polymorphism and migration lead to shared variation between recently diverged taxa. New analytic methods have been developed to help distinguish ancestral polymorphism from migration. Along with a growing number of datasets of multi-locus DNA sequence variation, these methods have spawned a renewed interest in speciation models with gene flow. Here, we review both speciation and population-genetic models that make explicit predictions about how the rate of recombination influences patterns of genetic variation within and between species. We then compare those predictions with empirical data of DNA sequence variation in rabbits and mice. We find strong support for the prediction that genomic regions experiencing low levels of recombination are more differentiated. In most cases, reduced gene flow appears to contribute to the pattern, although disentangling the relative contribution of reduced gene flow and selection at linked sites remains a challenge. We suggest fruitful areas of research that might help distinguish between different models.

  9. Theoretical prediction of familial amyotrophic lateral sclerosis missense mutation effects on Cu/Zn superoxide dismutase structural stability

    Energy Technology Data Exchange (ETDEWEB)

    Potier, M.; Tu, Y. [Universite de Montreal, Quebec (Canada)

    1994-09-01

    Cu/Zn superoxide dismutase (SOD) deficiency is associated with the progressive paralytic disorder familial amyotrophic lateral sclerosis (FALS). Fifteen missense mutations in the SOD gene were identified in several patients. These mutations may prevent correct promoter folding or hamper homodimer formation necessary for SOD activity. To understand the effect of the missense mutations on SOD structure and function, we used a theoretical analysis of structural effects based on two predictive methods using the modeled tertiary structure of human SOD. The first method uses the TORSO program which optimizes amino acid side-chains repacking in both wild-type and mutant SODs and calculates protein internal packing energy. The second method uses a hydrophobicity scale of the amino acid residues and considers both solvent accessibility and hydrophobic nature of residue substitutions to compute a stabilization energy change ({delta}E). These predictive methods have been tested in 187 single and multiple missense mutants of 8 proteins (T4 lysozyme, human carbonic anhydrase II, chymotrypsin inhibitor 2, f1 gene V protein, barnase, {lambda}-repressor, chicken and human lysozymes) with experimentally determined thermostability. The overall prediction accuracy with these proteins was 88%. Analysis of FALS missense mutations {delta}E predicts that 14 of 15 mutations destabilize the SOD structure. The other missense mutation is located at the homodimer interface and may hinder dimer formation. This approach is applicable to any protein with known tertiary structure to predict missense mutation effects on protein stability.

  10. Four-lepton production at hadron colliders: aMC@NLO predictions with theoretical uncertainties

    CERN Document Server

    Frederix, Rikkert; Hirschi, Valentin; Maltoni, Fabio; Pittau, Roberto; Torrielli, Paolo

    2012-01-01

    We use aMC@NLO to study the production of four charged leptons at the LHC, performing parton showers with both HERWIG and Pythia6. Our underlying matrix element calculation features the full next-to-leading order $O(\\alpha_S)$ result and the $O(\\alpha_S^2)$ contribution of the $gg$ channel, and it includes all off-shell, spin-correlation, virtual-photon-exchange, and interference effects. We present several key distributions together with the corresponding theoretical uncertainties. These are obtained through a process-independent technique that allows aMC@NLO to compute scale and PDF uncertainties in a fully automated way and at no extra CPU-time cost

  11. Review: Jürgen Raab (2008. Visuelle Wissenssoziologie. Theoretische Konzeption und materiale Analysen [Visual Sociology of Knowledge: Theoretical Concepts and Analyses

    Directory of Open Access Journals (Sweden)

    Katharina Miko

    2010-11-01

    Full Text Available The book "Visual Sociology of Knowledge: Theoretical Concepts and Analyses" attempts to provide a theoretical foundation for the hermeneutics of images as an interpretative method for audio-visual material, in the tradition of the sociology of knowledge. Jürgen RAAB focuses on his concept of Sehgemeinschaften [communities of seeing], which describes groups who differ in their editing techniques. Drawing on examples of three different visual subcultures, he shows how their different approaches to reality are mirrored in their editing approaches and thus their video products. He comes to the conclusion that seeing and the medialization of seeing are not objective constants, but are historically changeable and socio-structurally formed. At the same time, in some of its chapters (1-3 the book provides an introduction to visual sociology in general. From the visual culture of modernity to the Visual Turn in sociology, scientists specializing in Visual Studies and interested students will find an informative overview. URN: http://nbn-resolving.de/urn:nbn:de:0114-fqs110167

  12. Theoretical Predictions of Springing and Their Comparison with Full Scale Measurements

    DEFF Research Database (Denmark)

    Gu, X.; Storhaug, G.; Vidic-Perunovic, Jelena

    2003-01-01

    The present paper considers a large ocean going ship with significant springing responses, which have made a large contribution to the fatigue cracking for certain structural details. Four different theories for predicting ship responses and associated computer programs for predictions of springing...... are described. These theories represent four different approaches with various characteristics, e.g. linear, scond-order, nonlinear, frequency-domain, time-domain, two-dimensional and three-dimensional, in calculating hydrodynamic loads and vibrations. The numerical programs, WASIM (DNV), SOST (DTU), SINO...... (CSSRC) and VERES (Marintek), have been well validated for ordinary ship responses. Assumptions regarding how the different programs are sued in the present calculations are provided. Sensitivity studies are carried out and the main results are presented. A selected number of full-scale measurements...

  13. Theoretical prediction of selectivity in kinetic resolution of secondary alcohols catalyzed by chiral DMAP derivatives.

    Science.gov (United States)

    Larionov, Evgeny; Mahesh, Mohan; Spivey, Alan C; Wei, Yin; Zipse, Hendrik

    2012-06-06

    The mechanism of esterification of the secondary alcohol 1-(1-naphthyl)ethanol 9 by isobutyric anhydride catalyzed by 4-pyrrolidinopyridine (PPY, 11) and a series of single enantiomer atropisomeric 4-dialkylaminopyridines 8a-g has been studied computationally at the B3LYP/6-311+G(d,p)//B3LYP/6-31G(d) level. Comparison of the levels of enantioselectivity predicted computationally with the results obtained experimentally allowed the method to be validated. The value of the approach is demonstrated by the successful prediction that a structural modification of an aryl group within the catalyst from phenyl to 3,5-dimethylphenyl would lead to improved levels of selectivity in this type of kinetic resolution (KR) reaction, as was subsequently verified following synthesis and evaluation of this catalyst (8d). Experimentally, the selectivity of this type of KR is found to exhibit a significant deuterium isotope effect (for 9 vs d(1)-9).

  14. Effects of solution composition on the theoretical prediction of ice nucleation kinetics and thermodynamics.

    Science.gov (United States)

    Karlsson, Jens O M

    2010-02-01

    Predictions by various mathematical models of intracellular ice formation (proposed by Mazur, Pitt, Toner, and Karlsson, respectively) were compared to the known thermodynamic and kinetic behavior of ice formation in supercooled aqueous systems. The older models (Mazur, Pitt, and Toner) significantly underestimated the magnitude of colligative nonequilibrium freezing point depression in response to increased concentration of solutes, such as salts or cryoprotectants. Furthermore, kinetics predicted using phenomenological models (by Mazur and Pitt) exhibited implausible temperature-dependence, with the probability of intracellular ice formation being allowed to increase even at temperatures below the glass transition point. The Toner model, on the other hand, produced invalid results at temperatures below -48 degrees C. The Karlsson model was the only model that consistently yielded realistic predictions over a wide range of temperatures and solute concentrations, especially in the presence of cryoprotectant additives. To facilitate adoption of the Karlsson model of intracellular ice nucleation, the complete set of model equations has been collected and described in detail. Copyright 2009 Elsevier Inc. All rights reserved.

  15. Predicting cyberbullying perpetration in emerging adults: A theoretical test of the Barlett Gentile Cyberbullying Model.

    Science.gov (United States)

    Barlett, Christopher; Chamberlin, Kristina; Witkower, Zachary

    2017-04-01

    The Barlett and Gentile Cyberbullying Model (BGCM) is a learning-based theory that posits the importance of positive cyberbullying attitudes predicting subsequent cyberbullying perpetration. Furthermore, the tenants of the BGCM state that cyberbullying attitude are likely to form when the online aggressor believes that the online environment allows individuals of all physical sizes to harm others and they are perceived as anonymous. Past work has tested parts of the BGCM; no study has used longitudinal methods to examine this model fully. The current study (N = 161) employed a three-wave longitudinal design to test the BGCM. Participants (age range: 18-24) completed measures of the belief that physical strength is irrelevant online and anonymity perceptions at Wave 1, cyberbullying attitudes at Wave 2, and cyberbullying perpetration at Wave 3. Results showed strong support for the BGCM: anonymity perceptions and the belief that physical attributes are irrelevant online at Wave 1 predicted Wave 2 cyberbullying attitudes, which predicted subsequent Wave 3 cyberbullying perpetration. These results support the BGCM and are the first to show empirical support for this model. Aggr. Behav. 43:147-154, 2017. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  16. Predicting behavior change from persuasive messages using neural representational similarity and social network analyses.

    Science.gov (United States)

    Pegors, Teresa K; Tompson, Steven; O'Donnell, Matthew Brook; Falk, Emily B

    2017-08-15

    Neural activity in medial prefrontal cortex (MPFC), identified as engaging in self-related processing, predicts later health behavior change. However, it is unknown to what extent individual differences in neural representation of content and lived experience influence this brain-behavior relationship. We examined whether the strength of content-specific representations during persuasive messaging relates to later behavior change, and whether these relationships change as a function of individuals' social network composition. In our study, smokers viewed anti-smoking messages while undergoing fMRI and we measured changes in their smoking behavior one month later. Using representational similarity analyses, we found that the degree to which message content (i.e. health, social, or valence information) was represented in a self-related processing MPFC region was associated with later smoking behavior, with increased representations of negatively valenced (risk) information corresponding to greater message-consistent behavior change. Furthermore, the relationship between representations and behavior change depended on social network composition: smokers who had proportionally fewer smokers in their network showed increases in smoking behavior when social or health content was strongly represented in MPFC, whereas message-consistent behavior (i.e., less smoking) was more likely for those with proportionally more smokers in their social network who represented social or health consequences more strongly. These results highlight the dynamic relationship between representations in MPFC and key outcomes such as health behavior change; a complete understanding of the role of MPFC in motivation and action should take into account individual differences in neural representation of stimulus attributes and social context variables such as social network composition. Copyright © 2017 Elsevier Inc. All rights reserved.

  17. A combined theoretical and in vitro modeling approach for predicting the magnetic capture and retention of magnetic nanoparticles in vivo

    Science.gov (United States)

    David, Allan E.; Cole, Adam J.; Chertok, Beata; Park, Yoon Shin; Yang, Victor C.

    2011-01-01

    Magnetic nanoparticles (MNP) continue to draw considerable attention as potential diagnostic and therapeutic tools in the fight against cancer. Although many interacting forces present themselves during magnetic targeting of MNP to tumors, most theoretical considerations of this process ignore all except for the magnetic and drag forces. Our validation of a simple in vitro model against in vivo data, and subsequent reproduction of the in vitro results with a theoretical model indicated that these two forces do indeed dominate the magnetic capture of MNP. However, because nanoparticles can be subject to aggregation, and large MNP experience an increased magnetic force, the effects of surface forces on MNP stability cannot be ignored. We accounted for the aggregating surface forces simply by measuring the size of MNP retained from flow by magnetic fields, and utilized this size in the mathematical model. This presumably accounted for all particle-particle interactions, including those between magnetic dipoles. Thus, our “corrected” mathematical model provided a reasonable estimate of not only fractional MNP retention, but also predicted the regions of accumulation in a simulated capillary. Furthermore, the model was also utilized to calculate the effects of MNP size and spatial location, relative to the magnet, on targeting of MNPs to tumors. This combination of an in vitro model with a theoretical model could potentially assist with parametric evaluations of magnetic targeting, and enable rapid enhancement and optimization of magnetic targeting methodologies. PMID:21295085

  18. Theoretical prediction of fracture conditions for delithiation in silicon anode of lithium ion battery

    Science.gov (United States)

    Cho, Yong-Hee; Booh, Seongwoon; Cho, Eunseog; Lee, Hyosug; Shin, Jaikwang

    2017-10-01

    Structural instability such as fractures of a silicon anode in a lithium ion battery, intrinsically induced by the large variation of the ratio, Li/Si, upon lithiation and delithiation, limits its potential for commercial use. Here, we study mechanical properties during delithiation in lithiated silicon particles to identify the conditions under which fracture is preventing during delithiation in terms of Li contents and silicon particle sizes. We employed the first principles calculation within the density functional framework combined with the continuum based calculation for the macroscopic mechanical properties. The theoretical limit for the largest crystalline silicon particle size that can prevent fractures upon complete delithiation is ˜0.6 μm at the lithium flux per unit surface area of 5.657 × 10-2 s-1 nm out of amorphous Li3.75Si, much larger than the critical fracture size (0.15 μm) that occurs during the first lithiation of crystalline Si. Furthermore, fractures during delithiation are nearly unaffected by the silicon particle size for a residual lithium fraction larger than x ˜ 2.1 in amorphous LixSi.

  19. Theoretical prediction of fracture conditions for delithiation in silicon anode of lithium ion battery

    Directory of Open Access Journals (Sweden)

    Yong-Hee Cho

    2017-10-01

    Full Text Available Structural instability such as fractures of a silicon anode in a lithium ion battery, intrinsically induced by the large variation of the ratio, Li/Si, upon lithiation and delithiation, limits its potential for commercial use. Here, we study mechanical properties during delithiation in lithiated silicon particles to identify the conditions under which fracture is preventing during delithiation in terms of Li contents and silicon particle sizes. We employed the first principles calculation within the density functional framework combined with the continuum based calculation for the macroscopic mechanical properties. The theoretical limit for the largest crystalline silicon particle size that can prevent fractures upon complete delithiation is ∼0.6 μm at the lithium flux per unit surface area of 5.657 × 10−2 s−1 nm out of amorphous Li3.75Si, much larger than the critical fracture size (0.15 μm that occurs during the first lithiation of crystalline Si. Furthermore, fractures during delithiation are nearly unaffected by the silicon particle size for a residual lithium fraction larger than x ∼ 2.1 in amorphous LixSi.

  20. Theoretical prediction the removal of mercury from flue gas by MOFs

    KAUST Repository

    Liu, Yang

    2016-07-19

    Removal of mercury from flue gas has been considered as one of the hot topics in both the scientific and industrial world. Adsorption of elemental mercury (Hg) and oxidized mercury species (HgCl, HgO, and HgS) on a novel metal organic framework (MOF) material, named Mg/DOBDC, with unsaturated metal centers was investigated using density functional theory (DFT) calculations. The results show that Hg stably physi-sorbed on the unsaturated metal center (magnesium ion) of Mg/DOBDC with a binding energy (BE) of −27.5 kJ/mol. A direct interaction between Hg and magnesium ion was revealed by the partial density of state (PDOS) analysis. HgCl multi-interacts with two neighboring magnesium ions simultaneously by its Cl endings and thus resulted in strong adsorption strength (−89.0 kJ/mol). The adsorption energies of HgO and HgS on the Mg/DOBDC were as high as −117.0 kJ/mol and −169.7 kJ/mol, respectively, indicating a strong chemisorption. Theoretical calculations in this study reveal that Mg/DOBDC has the potential to serve as an efficient material for removal of mercury from flue gas.

  1. Confronting Theoretical Predictions With Experimental Data; Fitting Strategy For Multi-Dimensional Distributions

    Directory of Open Access Journals (Sweden)

    Tomasz Przedziński

    2015-01-01

    Full Text Available After developing a Resonance Chiral Lagrangian (RχL model to describe hadronic τ lepton decays [18], the model was confronted with experimental data. This was accomplished using a fitting framework which was developed to take into account the complexity of the model and to ensure the numerical stability for the algorithms used in the fitting. Since the model used in the fit contained 15 parameters and there were only three 1-dimensional distributions available, we could expect multiple local minima or even whole regions of equal potential to appear. Our methods had to thoroughly explore the whole parameter space and ensure, as well as possible, that the result is a global minimum. This paper is focused on the technical aspects of the fitting strategy used. The first approach was based on re-weighting algorithm published in [17] and produced results in around two weeks. Later approach, with improved theoretical model and simple parallelization algorithm based on Inter-Process Communication (IPC methods of UNIX system, reduced computation time down to 2-3 days. Additional approximations were introduced to the model decreasing time to obtain the preliminary results down to 8 hours. This allowed to better validate the results leading to a more robust analysis published in [12].

  2. Anticipation in stuttering: A theoretical model of the nature of stutter prediction.

    Science.gov (United States)

    Garcia-Barrera, Mauricio A; Davidow, Jason H

    2015-06-01

    The fact that some people who stutter have the ability to anticipate a stuttering moment is essential for several theories of stuttering and important for maximum effectiveness of many currently used treatment techniques. The "anticipation effect," however, is poorly understood despite much investigation into this phenomenon. In the present paper, we combine (1) behavioral evidence from the stuttering-anticipation literature, (2) speech production models, and (3) models of error detection to propose a theoretical model of anticipation. Integrating evidence from theories such as Damasio's Somatic Marker Hypothesis, Levelt's Perceptual Monitoring Theory, Guenther's The Directions Into Velocities of Articulators (DIVA) model, Postma's Covert Repair Hypothesis, among others, our central thesis is that the anticipation of a stuttering moment occurs as an outcome of the interactions between previous learning experiences (i.e., learnt associations between stuttered utterances and any self-experienced or environmental consequence) and error monitoring. Possible neurological mechanisms involved in generating conscious anticipation are also discussed, along with directions for future research. The reader will be able to: (a) describe historical theories that explain how PWS may learn to anticipate stuttering; (b) state some traditional sources of evidence of anticipation in stuttering; (c) describe how PWS may be sensitive to the detection of a stuttering; (d) state some of the neural correlates that may underlie anticipation in stuttering; and (e) describe some of the possible utilities of incorporating anticipation into stuttering interventions. Copyright © 2015 Elsevier Inc. All rights reserved.

  3. Prediction of nonlinear optical properties of organic materials. General theoretical considerations

    Science.gov (United States)

    Cardelino, B.; Moore, C.; Zutaut, S.

    1993-01-01

    The prediction of nonlinear optical properties of organic materials is geared to assist materials scientists in the selection of good candidate molecules. A brief summary of the quantum mechanical methods used for estimating hyperpolarizabilities will be presented. The advantages and limitations of each technique will be discussed. Particular attention will be given to the finite-field method for calculating first and second order hyperpolarizabilities, since this method is better suited for large molecules. Corrections for dynamic fields and bulk effects will be discussed in detail, focusing on solvent effects, conformational isomerization, core effects, dispersion, and hydrogen bonding. Several results will be compared with data obtained from third-harmonic-generation (THG) and dc-induced second harmonic generation (EFISH) measurements. These comparisons will demonstrate the qualitative ability of the method to predict the relative strengths of hyperpolarizabilities of a class of compounds. The future application of molecular mechanics, as well as other techniques, in the study of bulk properties and solid state defects will be addressed. The relationship between large values for nonlinear optical properties and large conjugation lengths is well known, and is particularly important for third-order processes. For this reason, the materials with the largest observed nonresonant third-order properties are conjugated polymers. An example of this type of polymer is polydiacetylene. One of the problems in dealing with polydiacetylene is that substituents which may enhance its nonlinear properties may ultimately prevent it from polymerizing. A model which attempts to predict the likelihood of solid-state polymerization is considered, along with the implications of the assumptions that are used. Calculations of the third-order optical properties and their relationship to first-order properties and energy gaps will be discussed. The relationship between monomeric and

  4. Theoretical Predictions and Experimental Assessments of the Performance of Alumina RF Windows

    Energy Technology Data Exchange (ETDEWEB)

    Karen Ann Cummings

    1998-07-01

    Radio frequency (RF) windows are the most likely place for catastrophic failure to occur in input power couplers for particle accelerators. Reliable RF windows are essential for the success of the Accelerator Production of Tritium (APT) program because there are over 1000 windows on the accelerator, and it takes more than one day to recover from a window failure. The goals of this research are to analytically predict the lifetime of the windows, to develop a conditioning procedure, and to evaluate the performance of the RF windows. The analytical goal is to predict the lifetime of the windows. The probability of failure is predicted by the combination of a finite element model of the window, Weibull probabilistic analysis, and fracture mechanics. The window assembly is modeled in a finite element electromagnetic code in order to calculate the electric fields in the window. The geometry (i.e. mesh) and electric fields are input into a translator program to generate the mesh and boundary conditions for a finite element thermal structural code. The temperatures and stresses are determined in the thermal/structural code. The geometry and thermal structural results are input into another translator program to generate an input file for the reliability code. Material, geometry and service data are also input into the reliability code. To obtain accurate Weibull and fatigue data for the analytical model, four point bend tests were done. The analytical model is validated by comparing the measurements to the calculations. The lifetime of the windows is then determined using the reliability code. The analytical model shows the window has a good thermal mechanical design and that fast fracture is unlikely to occur below a power level of 9 Mw. The experimental goal is to develop a conditioning procedure and evaluate the performance of RF windows. During the experimental evaluation, much was learned about processing of the windows to improve the RF performance. Methods of

  5. Theoretical prediction of thermodynamic activities of liquid Au-Sn-X (X=Bi, Sb, Zn) solder systems

    Energy Technology Data Exchange (ETDEWEB)

    Awe, O.E., E-mail: draweoe2004@yahoo.com [Department of Physics, University of Ibadan, Ibadan (Nigeria); Department of Physics and Engineering Physics, Obafemi Awolowo University, Ile-Ife (Nigeria); Oshakuade, O.M. [Department of Physics, University of Ibadan, Ibadan (Nigeria)

    2017-02-15

    Molecular interaction volume model has been theoretically used to predict the thermodynamic activities of tin in Au-Sn-Bi and Au-Sn-Sb and the thermodynamic activity of zinc in Au-Sn-Zn at experimental temperatures 800 K, 873 K and 973 K, respectively. On the premise of agreement between the predicted and experimental values, we predicted the activities of the remaining two components in each of the three systems. This prediction was extended from three cross-sections to five cross-sections, and to temperature range 400–600 K, relevant for applications. Iso-activities were plotted. Results show that addition of tin reduces the tendency for chemical short range order in both Au-Sb and Au-Zn systems, while addition of gold and bismuth, respectively, reduce the tendency for chemical short range order in Sn-Sb and Au-Sn systems. Also, we found that, in the desired high-temperature region for applications, while a combination of chemical order and miscibility of components exist in both Au-Sn-Bi and Au-Sn-Zn systems, only chemical order exist in the Au-Sn-Sb system. Results, further show that increase in temperature reduces the phase separation tendency in Au-Sn-Bi system.

  6. Theoretical predictions for how temperature affects the dynamics of interacting herbivores and plants.

    Science.gov (United States)

    O'Connor, Mary I; Gilbert, Benjamin; Brown, Christopher J

    2011-11-01

    Concern about climate change has spurred experimental tests of how warming affects species' abundance and performance. As this body of research grows, interpretation and extrapolation to other species and systems have been limited by a lack of theory. To address the need for theory for how warming affects species interactions, we used consumer-prey models and the metabolic theory of ecology to develop quantitative predictions for how systematic differences between the temperature dependence of heterotrophic and autotrophic population growth lead to temperature-dependent herbivory. We found that herbivore and plant abundances change with temperature in proportion to the ratio of autotrophic to heterotrophic metabolic temperature dependences. This result is consistent across five different formulations of consumer-prey models and over varying resource supply rates. Two models predict that temperature-dependent herbivory causes primary producer abundance to be independent of temperature. This finding contradicts simpler extensions of metabolic theory to abundance that ignore trophic interactions, and is consistent with patterns in terrestrial ecosystems. When applied to experimental data, the model explained 77% and 66% of the variation in phytoplankton and zooplankton abundances, respectively. We suggest that metabolic theory provides a foundation for understanding the effects of temperature change on multitrophic ecological communities.

  7. Experimental and theoretical analysis of a method to predict thermal runaway in Li-ion cells

    Science.gov (United States)

    Shah, Krishna; Chalise, Divya; Jain, Ankur

    2016-10-01

    Thermal runaway is a well-known safety concern in Li-ion cells. Methods to predict and prevent thermal runaway are critically needed for enhanced safety and performance. While much work has been done on understanding the kinetics of various heat generation processes during thermal runaway, relatively lesser work exists on understanding how heat removal from the cell influences thermal runaway. Through a unified analysis of heat generation and heat removal, this paper derives and experimentally validates a non-dimensional parameter whose value governs whether or not thermal runaway will occur in a Li-ion cell. This parameter is named the Thermal Runaway Number (TRN), and comprises contributions from thermal transport within and outside the cell, as well as the temperature dependence of heat generation rate. Experimental data using a 26650 thermal test cell are in good agreement with the model, and demonstrate the dependence of thermal runaway on various thermal transport and heat generation parameters. This parameter is used to predict the thermal design space in which the cell will or will not experience thermal runaway. By combining all thermal processes contributing to thermal runaway in a single parameter, this work contributes towards a unified understanding of thermal runaway, and provides the fundamental basis for design tools for safe, high-performance Li-ion batteries.

  8. A theoretical framework to predict the most likely ion path in particle imaging

    CERN Document Server

    Collins-Fekete, Charles-Antoine; Portillo, Stephen K N; Beaulieu, Luc; Seco, Joao

    2016-01-01

    In this work, a generic rigorous Bayesian formalism is introduced to predict the most likely path of any ion crossing a medium between two detection points. The path is predicted based on a combination of the particle scattering in the material and measurements of its initial and final position, direction and energy. The path estimate's precision is compared to the Monte Carlo simulated path. Every ion from hydrogen to carbon is simulated in two scenarios to estimate the accuracy achievable: one where the range is fixed and one where the initial velocity is fixed. In the scenario where the range is kept constant, the maximal root-mean-square error between the estimated path and the Monte Carlo path drops significantly between the proton path estimate (0.50 mm) and the helium path estimate (0.18 mm), but less so up to the carbon path estimate (0.09 mm). In the scenario where the initial velocity is kept constant, helium have systematically the minimal root-mean-square error throughout the path. As a result, he...

  9. Theoretical prediction of novel two-dimensional planar aluminum nitride allotropes: first principles calculations

    Science.gov (United States)

    Kazempour, Behnam; Safari, E. Keshavarz; Rostami, R.

    2018-03-01

    This paper uses first principles calculations based on density functional theory to predict the possibility or ability to synthesize two-dimensional planar allotropes of aluminum nitride, as well as study their structural and electronic properties. The investigated systems include six allotropes in which the atoms of aluminum and nitrogen participate in chemical bonds with sp 2 and sp 1 + sp 2 hybridization. After the structural relaxation, all these allotropes—despite being less stable than the graphene-like aluminum nitride allotrope—still retain their original structure. The degree of structural stability of these allotropes depends on the hybridization of the constituent atoms and the number density of atoms per unit cell. Regardless of the structure type and the hybridization of the atoms, all these allotropes are semiconductors; however, the amount and type of energy gap varies for different structures.

  10. Theoretical prediction of Reynolds stresses and velocity profiles for barotropic turbulent jets

    Science.gov (United States)

    Woillez, E.; Bouchet, F.

    2017-06-01

    It is extremely uncommon to be able to predict the velocity profile of a turbulent flow. In two-dimensional flows, atmosphere dynamics, and plasma physics, large-scale coherent jets are created through inverse energy transfers from small scales to the largest scales of the flow. We prove that in the limits of vanishing energy injection, vanishing friction, and small-scale forcing, the velocity profile of a jet obeys an equation independently of the details of the forcing. We find another general relation for the maximal curvature of a jet and we give strong arguments to support the existence of a hydrodynamic instability at the point with minimal jet velocity. Those results are the first computations of Reynolds stresses and self-consistent velocity profiles from the turbulent dynamics, and the first consistent analytic theory of zonal jets in barotropic turbulence.

  11. Theoretical Prediction of Hydrogen-Bond Basicity pKBHX Using Quantum Chemical Topology Descriptors

    Science.gov (United States)

    2014-01-01

    Hydrogen bonding plays an important role in the interaction of biological molecules and their local environment. Hydrogen-bond strengths have been described in terms of basicities by several different scales. The pKBHX scale has been developed with the interests of medicinal chemists in mind. The scale uses equilibrium constants of acid···base complexes to describe basicity and is therefore linked to Gibbs free energy. Site specific data for polyfunctional bases are also available. The pKBHX scale applies to all hydrogen-bond donors (HBDs) where the HBD functional group is either OH, NH, or NH+. It has been found that pKBHX can be described in terms of a descriptor defined by quantum chemical topology, ΔE(H), which is the change in atomic energy of the hydrogen atom upon complexation. Essentially the computed energy of the HBD hydrogen atom correlates with a set of 41 HBAs for five common HBDs, water (r2 = 0.96), methanol (r2 = 0.95), 4-fluorophenol (r2 = 0.91), serine (r2 = 0.93), and methylamine (r2 = 0.97). The connection between experiment and computation was strengthened with the finding that there is no relationship between ΔE(H) and pKBHX when hydrogen fluoride was used as the HBD. Using the methanol model, pKBHX predictions were made for an external set of bases yielding r2 = 0.90. Furthermore, the basicities of polyfunctional bases correlate with ΔE(H), giving r2 = 0.93. This model is promising for the future of computation in fragment-based drug design. Not only has a model been established that links computation to experiment, but the model may also be extrapolated to predict external experimental pKBHX values. PMID:24460383

  12. AB Initio Protein Tertiary Structure Prediction: Comparative-Genetic Algorithm with Graph Theoretical Methods

    Energy Technology Data Exchange (ETDEWEB)

    Gregurick, S. K.

    2001-04-20

    During the period from September 1, 1998 until September 1, 2000 I was awarded a Sloan/DOE postdoctoral fellowship to work in collaboration with Professor John Moult at the Center for Advanced Research in Biotechnology (CARB). Our research project, ''Ab Initio Protein Tertiary Structure Prediction and a Comparative Genetic algorithm'', yielded promising initial results. In short, the project is designed to predict the native fold, or native tertiary structure, of a given protein by inputting only the primary sequence of the protein (one or three letter code). The algorithm is based on a general learning, or evolutionary algorithm and is called Genetic Algorithm (GAS). In our particular application of GAS, we search for native folds, or lowest energy structures, using two different descriptions for the interactions of the atoms and residues in a given protein sequence. One potential energy function is based on a free energy description, while the other function is a threading potential derived by Moult and Samudrala. This modified genetic algorithm was loosely termed a Comparative Genetic Algorithm and was designed to search for native folded structures on both potential energy surfaces, simultaneously. We tested the algorithm on a series of peptides ranging from 11 to 15 residues in length, which are thought to be independent folding units and thereby will fold to native structures independent of the larger protein environment. Our initial results indicated a modest increase in accuracy, as compared to a standard Genetic Algorithm. We are now in the process of improving the algorithm to increase the sensitivity to other inputs, such as secondary structure requirements. The project did not involve additional students and as of yet, the work has not been published.

  13. Theoretical predictions for spatially-focused heating of magnetic nanoparticles guided by magnetic particle imaging field gradients

    Energy Technology Data Exchange (ETDEWEB)

    Dhavalikar, Rohan [Department of Chemical Engineering, University of Florida, 1030 Center Drive, Gainesville, FL 32611 (United States); Rinaldi, Carlos, E-mail: carlos.rinaldi@bme.ufl.edu [Department of Chemical Engineering, University of Florida, 1030 Center Drive, Gainesville, FL 32611 (United States); J. Crayton Pruitt Family Department of Biomedical Engineering, University of Florida, 1275 Center Drive, Gainesville, FL 32611 (United States)

    2016-12-01

    Magnetic nanoparticles in alternating magnetic fields (AMFs) transfer some of the field's energy to their surroundings in the form of heat, a property that has attracted significant attention for use in cancer treatment through hyperthermia and in developing magnetic drug carriers that can be actuated to release their cargo externally using magnetic fields. To date, most work in this field has focused on the use of AMFs that actuate heat release by nanoparticles over large regions, without the ability to select specific nanoparticle-loaded regions for heating while leaving other nanoparticle-loaded regions unaffected. In parallel, magnetic particle imaging (MPI) has emerged as a promising approach to image the distribution of magnetic nanoparticle tracers in vivo, with sub-millimeter spatial resolution. The underlying principle in MPI is the application of a selection magnetic field gradient, which defines a small region of low bias field, superimposed with an AMF (of lower frequency and amplitude than those normally used to actuate heating by the nanoparticles) to obtain a signal which is proportional to the concentration of particles in the region of low bias field. Here we extend previous models for estimating the energy dissipation rates of magnetic nanoparticles in uniform AMFs to provide theoretical predictions of how the selection magnetic field gradient used in MPI can be used to selectively actuate heating by magnetic nanoparticles in the low bias field region of the selection magnetic field gradient. Theoretical predictions are given for the spatial decay in energy dissipation rate under magnetic field gradients representative of those that can be achieved with current MPI technology. These results underscore the potential of combining MPI and higher amplitude/frequency actuation AMFs to achieve selective magnetic fluid hyperthermia (MFH) guided by MPI. - Highlights: • SAR predictions based on a field-dependent magnetization relaxation model.

  14. Colloid filtration in surface dense vegetation: experimental results and theoretical predictions.

    Science.gov (United States)

    Wu, Lei; Muñoz-Carpena, Rafael; Gao, Bin; Yang, Wen; Pachepsky, Yakov A

    2014-04-01

    Understanding colloid and colloid-facilitated contaminant transport in overland flow through dense vegetation is important to protect water quality in the environment, especially for water bodies receiving agricultural and urban runoff. In previous studies, a single-stem efficiency theory for rigid and clean stem systems was developed to predict colloid filtration by plant stems of vegetation in laminar overland flow. Hence, in order to improve the accuracy of the single-stem efficiency theory to real dense vegetation system, we incorporated the effect of natural organic matter (NOM) on the filtration of colloids by stems. Laboratory dense vegetation flow chamber experiments and model simulations were used to determine the kinetic deposition (filtration) rate of colloids under various conditions. The results show that, in addition to flow hydrodynamics and solution chemistry, steric repulsion afforded by NOM layer on the plants stem surface also plays a significant role in controlling colloid deposition on vegetation in overland flow. For the first time, a refined single-stem efficiency theory with considerations of the NOM effect is developed that describes the experimental data with good accuracy. This theory can be used to not only help construct and refine mathematical models of colloid transport in real vegetation systems in overland flow, but also inform the development of theories of colloid deposition on NOM-coated surfaces in natural, engineered, and biomedical systems.

  15. Temperature dependences of growth rates and carrying capacities of marine bacteria depart from metabolic theoretical predictions

    KAUST Repository

    Huete-Stauffer, Tamara Megan

    2015-09-11

    Using the metabolic theory of ecology (MTE) framework, we evaluated over a whole annual cycle the monthly responses to temperature of the growth rates (μ) and carrying capacities (K) of heterotrophic bacterioplankton at a temperate coastal site. We used experimental incubations spanning 6oC with bacterial physiological groups identified by flow cytometry according to membrane integrity (live), nucleic acid content (HNA and LNA) and respiratory activity (CTC+). The temperature dependence of μat the exponential phase of growth was summarized by the activation energy (E), which was variable (-0.52 to 0.72 eV) but followed a seasonal pattern, only reaching the hypothesized value for aerobic heterotrophs of 0.65 eV during the spring bloom for the most active bacterial groups (live, HNA, CTC+). K (i.e. maximum experimental abundance) peaked at 4 × 106 cells mL-1 and generally covaried with μbut, contrary to MTE predictions, it did not decrease consistently with temperature. In the case of live cells, the responses of μand K to temperature were positively correlated and related to seasonal changes in substrate availability, indicating that the responses of bacteria to warming are far from homogeneous and poorly explained by MTE at our site. © FEMS 2015.

  16. Using Game Theoretic Models to Predict Pilot Behavior in NextGen Merging and Landing Scenario

    Science.gov (United States)

    Yildiz, Yildiray; Lee, Ritchie; Brat, Guillaume

    2012-01-01

    In this paper, we present an implementation of the Semi Network-Form Game framework to predict pilot behavior in a merging and landing scenario. In this scenario, two aircraft are approaching to a freeze horizon with approximately equal distance when they become aware of each other via an ADS-B communication link that will be available in NextGen airspace. Both pilots want to gain advantage over the other by entering the freeze horizon earlier and obtain the first place in landing. They re-adjust their speed accordingly. However, they cannot simply increase their speed to the maximum allowable values since they are concerned with safety, separation distance, effort, possibility of being vectored-off from landing and possibility of violating speed constraints. We present how to model these concerns and the rest of the system using semi network-from game framework. Using this framework, based on certain assumptions on pilot utility functions and on system configuration, we provide estimates of pilot behavior and overall system evolution in time. We also discuss the possible employment of this modeling tool for airspace design optimization. To support this discussion, we provide a case where we investigate the effect of increasing the merging point speed limit on the commanded speed distribution and on the percentage of vectored aircraft.

  17. A Universe of ultradiffuse galaxies: theoretical predictions from ΛCDM simulations

    Science.gov (United States)

    Rong, Yu; Guo, Qi; Gao, Liang; Liao, Shihong; Xie, Lizhi; Puzia, Thomas H.; Sun, Shuangpeng; Pan, Jun

    2017-10-01

    A particular population of galaxies have drawn much interest recently, which are as faint as typical dwarf galaxies but have the sizes as large as L* galaxies, the so called ultradiffuse galaxies (UDGs). The lack of tidal features of UDGs in dense environments suggests that their host haloes are perhaps as massive as that of the Milky Way. On the other hand, galaxy formation efficiency should be much higher in the haloes of such masses. Here, we use the model galaxy catalogue generated by populating two large simulations: the Millennium-II cosmological simulation and Phoenix simulations of nine big clusters with the semi-analytic galaxy formation model. This model reproduces remarkably well the observed properties of UDGs in the nearby clusters, including the abundance, profile, colour and morphology, etc. We search for UDG candidates using the public data and find two UDG candidates in our Local Group and 23 in our Local Volume, in excellent agreement with the model predictions. We demonstrate that UDGs are genuine dwarf galaxies, formed in the haloes of ˜1010 M⊙. It is the combination of the late formation time and high spins of the host haloes that results in the spatially extended feature of this particular population. The lack of tidal disruption features of UDGs in clusters can also be explained by their late infall-time.

  18. Temperature dependences of growth rates and carrying capacities of marine bacteria depart from metabolic theoretical predictions.

    Science.gov (United States)

    Huete-Stauffer, Tamara Megan; Arandia-Gorostidi, Nestor; Díaz-Pérez, Laura; Morán, Xosé Anxelu G

    2015-10-01

    Using the metabolic theory of ecology (MTE) framework, we evaluated over a whole annual cycle the monthly responses to temperature of the growth rates (μ) and carrying capacities (K) of heterotrophic bacterioplankton at a temperate coastal site. We used experimental incubations spanning 6ºC with bacterial physiological groups identified by flow cytometry according to membrane integrity (live), nucleic acid content (HNA and LNA) and respiratory activity (CTC+). The temperature dependence of μ at the exponential phase of growth was summarized by the activation energy (E), which was variable (-0.52 to 0.72 eV) but followed a seasonal pattern, only reaching the hypothesized value for aerobic heterotrophs of 0.65 eV during the spring bloom for the most active bacterial groups (live, HNA, CTC+). K (i.e. maximum experimental abundance) peaked at 4 × 10(6) cells mL(-1) and generally covaried with μ but, contrary to MTE predictions, it did not decrease consistently with temperature. In the case of live cells, the responses of μ and K to temperature were positively correlated and related to seasonal changes in substrate availability, indicating that the responses of bacteria to warming are far from homogeneous and poorly explained by MTE at our site. © FEMS 2015. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  19. Theoretical prediction of the mechanical properties of zeolitic imidazolate frameworks (ZIFs)

    KAUST Repository

    Zheng, Bin

    2017-08-25

    A good resistance against mechanical stress is essential for the utilization of metal-organic frameworks (MOFs) in practical applications such as gas sorption, separation, catalysis or energy conversion. Here, we report on the successful modification of the mechanical properties of zeolitic imidazolate frameworks (ZIFs) achieved through a substitution of the terminal group. The mechanical modulus of SALEM-2 was found to significantly improve when the -H groups at position 2 of the imidazole linkers were replaced with electron withdrawing groups (-CHO, -Cl, or -Br). The charge distribution and electron density were analyzed to reveal the mechanism behind the observed variation of the elastic stiffness. Furthermore, ZIF-I with a -I group at position 2 of the imidazole linkers was predicted to exhibit an excellent mechanical strength in our study and then prepared experimentally. The results indicate that an inconspicuous change of the structure of ZIFs, i.e., additional groups strengthening the ZnN4 tetrahedron, will lead to a stiffer framework.

  20. Predictive Genomic Analyses Inform the Basis for Vitamin Metabolism and Provisioning in Bacteria-Arthropod Endosymbioses

    Directory of Open Access Journals (Sweden)

    Laura R. Serbus

    2017-06-01

    Full Text Available The requirement of vitamins for core metabolic processes creates a unique set of pressures for arthropods subsisting on nutrient-limited diets. While endosymbiotic bacteria carried by arthropods have been widely implicated in vitamin provisioning, the underlying molecular mechanisms are not well understood. To address this issue, standardized predictive assessment of vitamin metabolism was performed in 50 endosymbionts of insects and arachnids. The results predicted that arthropod endosymbionts overall have little capacity for complete de novo biosynthesis of conventional or active vitamin forms. Partial biosynthesis pathways were commonly predicted, suggesting a substantial role in vitamin provisioning. Neither taxonomic relationships between host and symbiont, nor the mode of host-symbiont interaction were clear predictors of endosymbiont vitamin pathway capacity. Endosymbiont genome size and the synthetic capacity of nonsymbiont taxonomic relatives were more reliable predictors. We developed a new software application that also predicted that last-step conversion of intermediates into active vitamin forms may contribute further to vitamin biosynthesis by endosymbionts. Most instances of predicted vitamin conversion were paralleled by predictions of vitamin use. This is consistent with achievement of provisioning in some cases through upregulation of pathways that were retained for endosymbiont benefit. The predicted absence of other enzyme classes further suggests a baseline of vitamin requirement by the majority of endosymbionts, as well as some instances of putative mutualism. Adaptation of this workflow to analysis of other organisms and metabolic pathways will provide new routes for considering the molecular basis for symbiosis on a comprehensive scale.

  1. CLPX-Model: Local Analysis and Prediction System: 4-D Atmospheric Analyses, Version 1

    Data.gov (United States)

    National Aeronautics and Space Administration — The Local Analysis and Prediction System (LAPS), run by the NOAA's Forecast Systems Laboratory (FSL), combines numerous observed meteorological data sets into a...

  2. CLPX-Model: Local Analysis and Prediction System: 4-D Atmospheric Analyses

    Data.gov (United States)

    National Aeronautics and Space Administration — The Local Analysis and Prediction System (LAPS), run by the NOAA's Forecast Systems Laboratory (FSL), combines numerous observed meteorological data sets into a...

  3. PASMet: a web-based platform for prediction, modelling and analyses of metabolic systems

    OpenAIRE

    Sriyudthsak, Kansuporn; Mejia, Ramon Francisco; Arita, Masanori; Hirai, Masami Yokota

    2016-01-01

    PASMet (Prediction, Analysis and Simulation of Metabolic networks) is a web-based platform for proposing and verifying mathematical models to understand the dynamics of metabolism. The advantages of PASMet include user-friendliness and accessibility, which enable biologists and biochemists to easily perform mathematical modelling. PASMet offers a series of user-functions to handle the time-series data of metabolite concentrations. The functions are organised into four steps: (i) Prediction of...

  4. Analysing the Relevance of Experience Partitions to the Prediction of Players’ Self-Reports of Affect

    DEFF Research Database (Denmark)

    Martínez, Héctor Pérez; Yannakakis, Georgios N.

    2011-01-01

    A common practice in modeling affect from physiological signals consists of reducing the signals to a set of statistical features that feed predictors of self-reported emotions. This paper analyses the impact of various time-windows, used for the extraction of physiological features, to the accur......A common practice in modeling affect from physiological signals consists of reducing the signals to a set of statistical features that feed predictors of self-reported emotions. This paper analyses the impact of various time-windows, used for the extraction of physiological features...

  5. Combining Results from Distinct MicroRNA Target Prediction Tools Enhances the Performance of Analyses.

    Science.gov (United States)

    Oliveira, Arthur C; Bovolenta, Luiz A; Nachtigall, Pedro G; Herkenhoff, Marcos E; Lemke, Ney; Pinhal, Danillo

    2017-01-01

    Target prediction is generally the first step toward recognition of bona fide microRNA (miRNA)-target interactions in living cells. Several target prediction tools are now available, which use distinct criteria and stringency to provide the best set of candidate targets for a single miRNA or a subset of miRNAs. However, there are many false-negative predictions, and consensus about the optimum strategy to select and use the output information provided by the target prediction tools is lacking. We compared the performance of four tools cited in literature-TargetScan (TS), miRanda-mirSVR (MR), Pita, and RNA22 (R22), and we determined the most effective approach for analyzing target prediction data (individual, union, or intersection). For this purpose, we calculated the sensitivity, specificity, precision, and correlation of these approaches using 10 miRNAs (miR-1-3p, miR-17-5p, miR-21-5p, miR-24-3p, miR-29a-3p, miR-34a-5p, miR-124-3p, miR-125b-5p, miR-145-5p, and miR-155-5p) and 1,400 genes (700 validated and 700 non-validated) as targets of these miRNAs. The four tools provided a subset of high-quality predictions and returned few false-positive predictions; however, they could not identify several known true targets. We demonstrate that union of TS/MR and TS/MR/R22 enhanced the quality of in silico prediction analysis of miRNA targets. We conclude that the union rather than the intersection of the aforementioned tools is the best strategy for maximizing performance while minimizing the loss of time and resources in subsequent in vivo and in vitro experiments for functional validation of miRNA-target interactions.

  6. Theoretical Prediction of Volumetric Mass Transfer Coefficient (kLa for Designing an Aeration Tank

    Directory of Open Access Journals (Sweden)

    Gilles Hebrard

    2009-11-01

    Full Text Available The objective of this present paper is to propose a new theoretical prediction method of the volumetric mass transfer coefficient (kLa occurring in a gas-liquid contactor based on the dissociation of the liquid-side mass transfer coefficient (kL and the interfacial area (a. The calculated results have been compared with those obtained with the experimental process in a small-scale bubble column. Tap water was used as liquid phase and an elastic membrane with a single orifice as gas sparger. Only the dynamic bubble regime was considered in this work (ReOR= 1501000 and We = 0.0024. This study has clearly shown that, whatever the operating conditions under test, the generated bubble diameters (dB, bubble frequency (fB and their associated rising velocities (UB were the important parameters in order to predict, not only the values of kLa, but also the values of a and of kL. Moreover, these obtained results could provide a better understanding of the parameters which influence the oxygen transfer mechanism in the aeration process. By using the correlations to estimate these bubble hydrodynamics (dB and UB, it diminishes times for measuring the associated mass transfer parameters and also their experimental complexities and errors.

  7. Iron-based Heusler compounds Fe2YZ: Comparison with theoretical predictions of the crystal structure and magnetic properties

    Science.gov (United States)

    Gasi, T.; Ksenofontov, V.; Kiss, J.; Chadov, S.; Nayak, A. K.; Nicklas, M.; Winterlik, J.; Schwall, M.; Klaer, P.; Adler, P.; Felser, C.

    2013-02-01

    The present work reports on the new soft ferromagnetic Heusler phases Fe2NiGe, Fe2CuGa, and Fe2CuAl, which in previous theoretical studies have been predicted to exist in a tetragonal Heusler structure. Together with the known phases Fe2CoGe and Fe2NiGa these materials have been synthesized and characterized by powder x-ray diffraction, 57Fe Mössbauer spectroscopy, superconducting quantum interference device, and energy-dispersive x-ray measurements. In particular Mössbauer spectroscopy was used to monitor the degree of local atomic order/disorder and to estimate magnetic moments at the Fe sites from the hyperfine fields. It is shown that in contrast to the previous predictions all the materials except Fe2NiGa basically adopt the inverse cubic Heusler (X) structure with differing degrees of disorder. The experimental data are compared with results from ab initio electronic structure calculations on local-density approximation level incorporating the effects of atomic disorder by using the coherent potential approximation. A good agreement between calculated and experimental magnetic moments is found for the cubic inverse Heusler phases. Model calculations on various atomic configurations demonstrate that antisite disorder tends to enhance the stability of the X structure.

  8. Theoretical prediction and validation of cell recovery rates in preparing platelet-rich plasma through a centrifugation.

    Science.gov (United States)

    Piao, Linfeng; Park, Hyungmin; Jo, Chris Hyunchul

    2017-01-01

    In the present study, we propose a theoretical framework to predict the recovery rates of platelets and white blood cells in the process of centrifugal separation of whole blood contained in a tube for the preparation of platelet-rich plasma. Compared to previous efforts to optimize or standardize the protocols of centrifugation, we try to further the physical background (i.e., based on the multiphase flow phenomena) of analysis to develop a universal approach that can be applied to widely different conditions. That is, one-dimensional quasi-linear partial differential equation to describe the centrifugal sedimentation of dispersed phase (red and white blood cells) in continuous phase (plasma) is derived based on the kinematic-wave theory. With the information of whole blood volume and tube geometry considered, it is possible to determine the positions of interfaces between supernatant/suspension and suspension/sediment, i.e., the particle concentration gradient in a tube, for a wide range of centrifugation parameters (time and acceleration). While establishing a theory to predict the recovery rates of the platelet and white blood cell from the pre-determined interface positions, we also propose a new correlation model between the recovery rates of plasma and platelets, which is found to be a function of the whole blood volume, centrifugal time and acceleration, and tube geometry. The present predictions for optimal condition show good agreements with available human clinical data, obtained from different conditions, indicating the universal applicability of our method. Furthermore, the dependence of recovery rates on centrifugal conditions reveals that there exist a different critical acceleration and time for the maximum recovery rate of platelets and white blood cells, respectively. The other parameters such as hematocrit, whole blood volume and tube geometry are also found to strongly affect the maximum recovery rates of blood cells, and finally, as a strategy

  9. Simulation, prediction, and genetic analyses of daily methane emissions in dairy cattle.

    Science.gov (United States)

    Yin, T; Pinent, T; Brügemann, K; Simianer, H; König, S

    2015-08-01

    This study presents an approach combining phenotypes from novel traits, deterministic equations from cattle nutrition, and stochastic simulation techniques from animal breeding to generate test-day methane emissions (MEm) of dairy cows. Data included test-day production traits (milk yield, fat percentage, protein percentage, milk urea nitrogen), conformation traits (wither height, hip width, body condition score), female fertility traits (days open, calving interval, stillbirth), and health traits (clinical mastitis) from 961 first lactation Brown Swiss cows kept on 41 low-input farms in Switzerland. Test-day MEm were predicted based on the traits from the current data set and 2 deterministic prediction equations, resulting in the traits labeled MEm1 and MEm2. Stochastic simulations were used to assign individual concentrate intake in dependency of farm-type specifications (requirement when calculating MEm2). Genetic parameters for MEm1 and MEm2 were estimated using random regression models. Predicted MEm had moderate heritabilities over lactation and ranged from 0.15 to 0.37, with highest heritabilities around DIM 100. Genetic correlations between MEm1 and MEm2 ranged between 0.91 and 0.94. Antagonistic genetic correlations in the range from 0.70 to 0.92 were found for the associations between MEm2 and milk yield. Genetic correlations between MEm with days open and with calving interval increased from 0.10 at the beginning to 0.90 at the end of lactation. Genetic relationships between MEm2 and stillbirth were negative (0 to -0.24) from the beginning to the peak phase of lactation. Positive genetic relationships in the range from 0.02 to 0.49 were found between MEm2 with clinical mastitis. Interpretation of genetic (co)variance components should also consider the limitations when using data generated by prediction equations. Prediction functions only describe that part of MEm which is dependent on the factors and effects included in the function. With high

  10. FUN3D Analyses in Support of the Second Aeroelastic Prediction Workshop

    Science.gov (United States)

    Chwalowski, Pawel; Heeg, Jennifer

    2016-01-01

    This paper presents the computational aeroelastic results generated in support of the second Aeroelastic Prediction Workshop for the Benchmark Supercritical Wing (BSCW) configurations and compares them to the experimental data. The computational results are obtained using FUN3D, an unstructured grid Reynolds- Averaged Navier-Stokes solver developed at NASA Langley Research Center. The analysis results include aerodynamic coefficients and surface pressures obtained for steady-state, static aeroelastic equilibrium, and unsteady flow due to a pitching wing or flutter prediction. Frequency response functions of the pressure coefficients with respect to the angular displacement are computed and compared with the experimental data. The effects of spatial and temporal convergence on the computational results are examined.

  11. Protein function prediction by massive integration of evolutionary analyses and multiple data sources

    OpenAIRE

    2013-01-01

    Background Accurate protein function annotation is a severe bottleneck when utilizing the deluge of high-throughput, next generation sequencing data. Keeping database annotations up-to-date has become a major scientific challenge that requires the development of reliable automatic predictors of protein function. The CAFA experiment provided a unique opportunity to undertake comprehensive 'blind testing' of many diverse approaches for automated function prediction. We report on the methodology...

  12. Computational Prediction and Biochemical Analyses of New Inverse Agonists for the CB1 Receptor.

    Science.gov (United States)

    Scott, Caitlin E; Ahn, Kwang H; Graf, Steven T; Goddard, William A; Kendall, Debra A; Abrol, Ravinder

    2016-01-25

    Human cannabinoid type 1 (CB1) G-protein coupled receptor is a potential therapeutic target for obesity. The previously predicted and experimentally validated ensemble of ligand-free conformations of CB1 [Scott, C. E. et al. Protein Sci. 2013 , 22 , 101 - 113 ; Ahn, K. H. et al. Proteins 2013 , 81 , 1304 - 1317] are used here to predict the binding sites for known CB1-selective inverse agonists including rimonabant and its seven known derivatives. This binding pocket, which differs significantly from previously published models, is used to identify 16 novel compounds expected to be CB1 inverse agonists by exploiting potential new interactions. We show experimentally that two of these compounds exhibit inverse agonist properties including inhibition of basal and agonist-induced G-protein coupling activity, as well as an enhanced level of CB1 cell surface localization. This demonstrates the utility of using the predicted binding sites for an ensemble of CB1 receptor structures for designing new CB1 inverse agonists.

  13. Aluminum/hydrocarbon gel propellants: An experimental and theoretical investigation of secondary atomization and predicted rocket engine performance

    Science.gov (United States)

    Mueller, Donn Christopher

    1997-12-01

    Experimental and theoretical investigations of aluminum/hydrocarbon gel propellant secondary atomization and its potential effects on rocket engine performance were conducted. In the experimental efforts, a dilute, polydisperse, gel droplet spray was injected into the postflame region of a burner and droplet size distributions was measured as a function of position above the burner using a laser-based sizing/velocimetry technique. The sizing/velocimetry technique was developed to measure droplets in the 10-125 mum size range and avoids size-biased detection through the use of a uniformly illuminated probe volume. The technique was used to determine particle size distributions and velocities at various axial locations above the burner for JP-10, and 50 and 60 wt% aluminum gels. Droplet shell formation models were applied to aluminum/hydrocarbon gels to examine particle size and mass loading effects on the minimum droplet diameter that will permit secondary atomization. This diameter was predicted to be 38.1 and 34.7 mum for the 50 and 60 wt% gels, which is somewhat greater than the experimentally measured 30 and 25 mum diameters. In the theoretical efforts, three models were developed and an existing rocket code was exercised to gain insights into secondary atomization. The first model was designed to predict gel droplet properties and shell stresses after rigid shell formation, while the second, a one-dimensional gel spray combustion model was created to quantify the secondary atomization process. Experimental and numerical comparisons verify that secondary atomization occurs in 10-125 mum diameter particles although an exact model could not be derived. The third model, a one-dimensional gel-fueled rocket combustion chamber, was developed to evaluate secondary atomization effects on various engine performance parameters. Results show that only modest secondary atomization may be required to reduce propellant burnout distance and radiation losses. A solid propellant

  14. Prediction of venous thromboembolism using semantic and sentiment analyses of clinical narratives.

    Science.gov (United States)

    Sabra, Susan; Mahmood Malik, Khalid; Alobaidi, Mazen

    2018-01-03

    Venous thromboembolism (VTE) is the third most common cardiovascular disorder. It affects people of both genders at ages as young as 20 years. The increased number of VTE cases with a high fatality rate of 25% at first occurrence makes preventive measures essential. Clinical narratives are a rich source of knowledge and should be included in the diagnosis and treatment processes, as they may contain critical information on risk factors. It is very important to make such narrative blocks of information usable for searching, health analytics, and decision-making. This paper proposes a Semantic Extraction and Sentiment Assessment of Risk Factors (SESARF) framework. Unlike traditional machine-learning approaches, SESARF, which consists of two main algorithms, namely, ExtractRiskFactor and FindSeverity, prepares a feature vector as the input to a support vector machine (SVM) classifier to make a diagnosis. SESARF matches and maps the concepts of VTE risk factors and finds adjectives and adverbs that reflect their levels of severity. SESARF uses a semantic- and sentiment-based approach to analyze clinical narratives of electronic health records (EHR) and then predict a diagnosis of VTE. We use a dataset of 150 clinical narratives, 80% of which are used to train our prediction classifier support vector machine, with the remaining 20% used for testing. Semantic extraction and sentiment analysis results yielded precisions of 81% and 70%, respectively. Using a support vector machine, prediction of patients with VTE yielded precision and recall values of 54.5% and 85.7%, respectively. Copyright © 2018 The Authors. Published by Elsevier Ltd.. All rights reserved.

  15. When Bitcoin encounters information in an online forum: Using text mining to analyse user opinions and predict value fluctuation.

    Directory of Open Access Journals (Sweden)

    Young Bin Kim

    Full Text Available Bitcoin is an online currency that is used worldwide to make online payments. It has consequently become an investment vehicle in itself and is traded in a way similar to other open currencies. The ability to predict the price fluctuation of Bitcoin would therefore facilitate future investment and payment decisions. In order to predict the price fluctuation of Bitcoin, we analyse the comments posted in the Bitcoin online forum. Unlike most research on Bitcoin-related online forums, which is limited to simple sentiment analysis and does not pay sufficient attention to note-worthy user comments, our approach involved extracting keywords from Bitcoin-related user comments posted on the online forum with the aim of analytically predicting the price and extent of transaction fluctuation of the currency. The effectiveness of the proposed method is validated based on Bitcoin online forum data ranging over a period of 2.8 years from December 2013 to September 2016.

  16. When Bitcoin encounters information in an online forum: Using text mining to analyse user opinions and predict value fluctuation.

    Science.gov (United States)

    Kim, Young Bin; Lee, Jurim; Park, Nuri; Choo, Jaegul; Kim, Jong-Hyun; Kim, Chang Hun

    2017-01-01

    Bitcoin is an online currency that is used worldwide to make online payments. It has consequently become an investment vehicle in itself and is traded in a way similar to other open currencies. The ability to predict the price fluctuation of Bitcoin would therefore facilitate future investment and payment decisions. In order to predict the price fluctuation of Bitcoin, we analyse the comments posted in the Bitcoin online forum. Unlike most research on Bitcoin-related online forums, which is limited to simple sentiment analysis and does not pay sufficient attention to note-worthy user comments, our approach involved extracting keywords from Bitcoin-related user comments posted on the online forum with the aim of analytically predicting the price and extent of transaction fluctuation of the currency. The effectiveness of the proposed method is validated based on Bitcoin online forum data ranging over a period of 2.8 years from December 2013 to September 2016.

  17. When Bitcoin encounters information in an online forum: Using text mining to analyse user opinions and predict value fluctuation

    Science.gov (United States)

    Lee, Jurim; Park, Nuri; Choo, Jaegul; Kim, Jong-Hyun; Kim, Chang Hun

    2017-01-01

    Bitcoin is an online currency that is used worldwide to make online payments. It has consequently become an investment vehicle in itself and is traded in a way similar to other open currencies. The ability to predict the price fluctuation of Bitcoin would therefore facilitate future investment and payment decisions. In order to predict the price fluctuation of Bitcoin, we analyse the comments posted in the Bitcoin online forum. Unlike most research on Bitcoin-related online forums, which is limited to simple sentiment analysis and does not pay sufficient attention to note-worthy user comments, our approach involved extracting keywords from Bitcoin-related user comments posted on the online forum with the aim of analytically predicting the price and extent of transaction fluctuation of the currency. The effectiveness of the proposed method is validated based on Bitcoin online forum data ranging over a period of 2.8 years from December 2013 to September 2016. PMID:28498843

  18. Intrinsic disorder in Viral Proteins Genome-Linked: experimental and predictive analyses

    Directory of Open Access Journals (Sweden)

    Van Dorsselaer Alain

    2009-02-01

    Full Text Available Abstract Background VPgs are viral proteins linked to the 5' end of some viral genomes. Interactions between several VPgs and eukaryotic translation initiation factors eIF4Es are critical for plant infection. However, VPgs are not restricted to phytoviruses, being also involved in genome replication and protein translation of several animal viruses. To date, structural data are still limited to small picornaviral VPgs. Recently three phytoviral VPgs were shown to be natively unfolded proteins. Results In this paper, we report the bacterial expression, purification and biochemical characterization of two phytoviral VPgs, namely the VPgs of Rice yellow mottle virus (RYMV, genus Sobemovirus and Lettuce mosaic virus (LMV, genus Potyvirus. Using far-UV circular dichroism and size exclusion chromatography, we show that RYMV and LMV VPgs are predominantly or partly unstructured in solution, respectively. Using several disorder predictors, we show that both proteins are predicted to possess disordered regions. We next extend theses results to 14 VPgs representative of the viral diversity. Disordered regions were predicted in all VPg sequences whatever the genus and the family. Conclusion Based on these results, we propose that intrinsic disorder is a common feature of VPgs. The functional role of intrinsic disorder is discussed in light of the biological roles of VPgs.

  19. Estimated contrail frequency and coverage over the contiguous United States from numerical weather prediction analyses and flight track data

    Energy Technology Data Exchange (ETDEWEB)

    Duda, D.P.; Minnis, P. [Science Directorate, NASA Langley Research Center, Hampton (United States); Palikonda, R. [Analytical Services and Materials, Inc., Hampton (United States)

    2005-08-01

    Estimates of contrail frequency and coverage over the contiguous United States (CONUS) are developed using hourly meteorological analyses from the rapid update cycle (RUC) numerical weather prediction model and commercial air traffic data for 2 months during 2001. The potential contrail frequency over the CONUS is computed directly from RUC analyses using several modified forms of the classical Appleman criteria for persistent contrail formation. Various schemes for diagnosing contrails from the RUC analyses were tested by first tuning each model to mean satellite estimates of contrail coverage for the domain and then comparing the resulting distributions to those from the satellite retrievals. The most accurate method for forming persistent contrails for both months uses a fourth root relationship between flight lengths and contrail coverage, accounts for contrail overlap and for the dry bias in the humidity profiles, and assumes that contrails can be detected in all cloudiness conditions. The differences between the simulated and satellite-derived contrail amounts are due to errors in the satellite observations, possible diurnally dependent saturation effects, and uncertainties in the numerical weather analysis humidity fields and other input variables. The algorithms developed here are suitable for eventual application to real-time predictions of potential contrail outbreaks. When refined, the methodology could be useful for both contrail mitigation and for contrail-climate effects assessment. (orig.)

  20. Automated failure mode effects and criticality analyses for reliability prediction of multibody mechanical systems

    Science.gov (United States)

    Chiang, Alex Chih-Chien

    Reliability is important to ensure both serviceability and safety of a mechanical system. A method for simulation-based Failure Mode Effects and Criticality Analysis (FMECA) for reliability prediction of mechanical systems is presented. This approach integrates recursive formulation for dynamic analysis, failure criteria for failure determination, graphics techniques for collision detection, and new techniques for modifying dynamics model during the simulation. The automated FMECA method developed consists of three libraries and a graphics collision detection technique. First, a library of mechanical failure modes is created using cause-effect relationships for mechanical failure modes. Second, a library of component failure criteria is constructed by collecting different material test data. Third, a library of simulation algorithms and supporting techniques is built by developing simulation technologies to perform FMECA for mechanical failure modes. In addition, the automated FMECA method uses the developed graphics software VDS for collision detection. Finally, this approach is used to investigate the consequences of four failure modes of a vehicle system. The difficulty in formulating mathematical expressions for a damaged mechanical system is resolved by manipulating the number of cut joint constraints and generalized coordinates to implicitly update the original system topology. Formulations for virtual joints are derived, as well as other new techniques to permit multiple failures during a dynamic simulation. A near-minimum set of generalized coordinates is thus retained throughout the dynamic simulation. Four general-purpose dynamics codes are implemented and effects of four mechanical failure modes of a mechanical system are investigated; suspension failure, joint degradation and breakage, joint stiction, and component yielding and breakage. Failure histories as well as Mean Time Between Failure (MTBF) and Mean Time To Failure (MTTF) are obtained. The

  1. Circulating biomarkers for predicting cardiovascular disease risk; a systematic review and comprehensive overview of meta-analyses.

    Directory of Open Access Journals (Sweden)

    Thijs C van Holten

    Full Text Available BACKGROUND: Cardiovascular disease is one of the major causes of death worldwide. Assessing the risk for cardiovascular disease is an important aspect in clinical decision making and setting a therapeutic strategy, and the use of serological biomarkers may improve this. Despite an overwhelming number of studies and meta-analyses on biomarkers and cardiovascular disease, there are no comprehensive studies comparing the relevance of each biomarker. We performed a systematic review of meta-analyses on levels of serological biomarkers for atherothrombosis to compare the relevance of the most commonly studied biomarkers. METHODS AND FINDINGS: Medline and Embase were screened on search terms that were related to "arterial ischemic events" and "meta-analyses". The meta-analyses were sorted by patient groups without pre-existing cardiovascular disease, with cardiovascular disease and heterogeneous groups concerning general populations, groups with and without cardiovascular disease, or miscellaneous. These were subsequently sorted by end-point for cardiovascular disease or stroke and summarized in tables. We have identified 85 relevant full text articles, with 214 meta-analyses. Markers for primary cardiovascular events include, from high to low result: C-reactive protein, fibrinogen, cholesterol, apolipoprotein B, the apolipoprotein A/apolipoprotein B ratio, high density lipoprotein, and vitamin D. Markers for secondary cardiovascular events include, from high to low result: cardiac troponins I and T, C-reactive protein, serum creatinine, and cystatin C. For primary stroke, fibrinogen and serum uric acid are strong risk markers. Limitations reside in that there is no acknowledged search strategy for prognostic studies or meta-analyses. CONCLUSIONS: For primary cardiovascular events, markers with strong predictive potential are mainly associated with lipids. For secondary cardiovascular events, markers are more associated with ischemia. Fibrinogen is a

  2. Conceptual aspects: analyses law, ethical, human, technical, social factors of development ICT, e-learning and intercultural development in different countries setting out the previous new theoretical model and preliminary findings

    NARCIS (Netherlands)

    Kommers, Petrus A.M.; Smyrnova-Trybulska, Eugenia; Morze, Natalia; Issa, Tomayess; Issa, Theodora

    2015-01-01

    This paper, prepared by an international team of authors focuses on the conceptual aspects: analyses law, ethical, human, technical, social factors of ICT development, e-learning and intercultural development in different countries, setting out the previous and new theoretical model and preliminary

  3. Electronic Effects versus Distortion Energies During Strain-Promoted Alkyne-Azide Cycloadditions: A Theoretical Tool to Predict Reaction Kinetics

    NARCIS (Netherlands)

    Garcia-Hartjes, J.; Dommerholt, J.; Wennekes, T.; Delft, van F.L.; Zuilhof, H.

    2013-01-01

    Second-order reaction kinetics of known strain-promoted azide–alkyne cycloaddition (SPAAC) reactions were compared with theoretical data from a range of ab initio methods. This produced both detailed insights into the factors determining the reaction rates and two straightforward theoretical tools

  4. Genetically predicted body mass index and Alzheimer's disease-related phenotypes in three large samples: Mendelian randomization analyses.

    Science.gov (United States)

    Mukherjee, Shubhabrata; Walter, Stefan; Kauwe, John S K; Saykin, Andrew J; Bennett, David A; Larson, Eric B; Crane, Paul K; Glymour, M Maria

    2015-12-01

    Observational research shows that higher body mass index (BMI) increases Alzheimer's disease (AD) risk, but it is unclear whether this association is causal. We applied genetic variants that predict BMI in Mendelian randomization analyses, an approach that is not biased by reverse causation or confounding, to evaluate whether higher BMI increases AD risk. We evaluated individual-level data from the AD Genetics Consortium (ADGC: 10,079 AD cases and 9613 controls), the Health and Retirement Study (HRS: 8403 participants with algorithm-predicted dementia status), and published associations from the Genetic and Environmental Risk for AD consortium (GERAD1: 3177 AD cases and 7277 controls). No evidence from individual single-nucleotide polymorphisms or polygenic scores indicated BMI increased AD risk. Mendelian randomization effect estimates per BMI point (95% confidence intervals) were as follows: ADGC, odds ratio (OR) = 0.95 (0.90-1.01); HRS, OR = 1.00 (0.75-1.32); GERAD1, OR = 0.96 (0.87-1.07). One subscore (cellular processes not otherwise specified) unexpectedly predicted lower AD risk. Copyright © 2015 The Alzheimer's Association. Published by Elsevier Inc. All rights reserved.

  5. Proximate analyses and predicting HHV of chars obtained from cocracking of petroleum vacuum residue with coal, plastics and biomass.

    Science.gov (United States)

    Ahmaruzzaman, M

    2008-07-01

    Higher heating value (HHV) and analysis of chars obtained from cocracking of petroleum vacuum residue (XVR) with coal (SC), biomass (BG, CL) and plastics (PP, PS, BL) are important which define the energy content and determine the clean and efficient use of these chars. The main aim of the present study is to analyze the char obtained from cocracking in terms of their proximate analysis data and determination of the HHV of the chars. The char obtained from XVR+PP cocracking showed a HHV of 32.84 MJ/kg, whereas that from CL cracking showed a HHV of 18.52 MJ/kg. The experimentally determined heating values of the char samples obtained from cocracking have been correlated with the theoretical equation based on proximate analysis data. There exists a variety of correlations for predicting HHV from proximate analysis of fuels. Based upon proximate analysis data, the models were tested. The best results show coefficient of determination (R2) of 0.965 and average absolute and bias error of 3.07% and 0.41%, respectively. The heating values obtained from the model were in good agreement with that obtained by experiment. Proximate analysis of the chars obtained from the cocracking of XVR with coal, biomass and plastics showed that there exists a definite interaction of the reactive species, when they were cocracked together.

  6. Systematic Selection of Key Logistic Regression Variables for Risk Prediction Analyses: A Five-Factor Maximum Model.

    Science.gov (United States)

    Hewett, Timothy E; Webster, Kate E; Hurd, Wendy J

    2017-08-16

    The evolution of clinical practice and medical technology has yielded an increasing number of clinical measures and tests to assess a patient's progression and return to sport readiness after injury. The plethora of available tests may be burdensome to clinicians in the absence of evidence that demonstrates the utility of a given measurement. Thus, there is a critical need to identify a discrete number of metrics to capture during clinical assessment to effectively and concisely guide patient care. The data sources included Pubmed and PMC Pubmed Central articles on the topic. Therefore, we present a systematic approach to injury risk analyses and how this concept may be used in algorithms for risk analyses for primary anterior cruciate ligament (ACL) injury in healthy athletes and patients after ACL reconstruction. In this article, we present the five-factor maximum model, which states that in any predictive model, a maximum of 5 variables will contribute in a meaningful manner to any risk factor analysis. We demonstrate how this model already exists for prevention of primary ACL injury, how this model may guide development of the second ACL injury risk analysis, and how the five-factor maximum model may be applied across the injury spectrum for development of the injury risk analysis.

  7. Combined Analyses of hENT1, TS, and DPD Predict Outcomes of Borderline-resectable Pancreatic Cancer.

    Science.gov (United States)

    Yabushita, Yasuhiro; Mori, Ryutaro; Taniguchi, Koichi; Matsuyama, Ryusei; Kumamoto, Takafumi; Sakamaki, Kentaro; Kubota, Kensuke; Endo, Itaru

    2017-05-01

    Predicting chemosensitivity to neoadjuvant chemoradiotherapy (NACRT) in pancreatic cancer is desired. The present study aimed to examine the relationship between intratumoral expression of human equilibrative nucleoside transporter 1 (hENT1), thymidylate synthase (TS), and dihydropyrimidine dehydrogenase (DPD) and the outcomes of NACRT with gemcitabine (GEM) combined with S-1 in patients with borderline-resectable pancreatic cancer (BRPC). Forty-seven patients who underwent NACRT with GEM plus S-1, following curative surgery, were recruited in our Institution between 2009 and 2012. Immunohistochemical expressions of hENT1, TS, and DPD in fine-needle aspiration (FNA) biopsies and resected specimens were examined. The correlation between these enzyme expressions and long-term outcome was analyzed. In 21 FNA specimens, no relationship between clinical responses to NACRT and long-term survival was found. However, in 47 resected specimens, patients were classified according to the number of favorable hENT1, TS, and DPD expression factors (hENT1 positive/TS negative/DPD negative). The presence of three favorable factors was strongly associated with improved partial response rates to NACRT (p=0.002). Patients with 2 or more favorable factors showed a significantly longer overall survival than the other patients (p=0.002). Combined expression analyses of hENT1, TS, and DPD may predict long-term outcomes in patients with BRPC after NACRT. Copyright© 2017, International Institute of Anticancer Research (Dr. George J. Delinasios), All rights reserved.

  8. Theoretical strengthening of the concept of appealing in analysed sermons on Matthew 25:31–46 in the context of poverty in South Africa

    Directory of Open Access Journals (Sweden)

    Hennie J.C. Pieterse

    2013-08-01

    Full Text Available From a qualitative grounded theory analysis in a sample of 26 sermons with Matthew 25:31–46 as sermon text, a rhetorical structure of how the preachers try to convince their listeners to care for the poor emerged. The homiletical concept of appealingrelated to all the categories borne out of the analysis of the inner world of the 26 sermons, and also to the categories showing this rhetorical structure in the sermons. The article discusses what the dimensions are in the concept of appealingborne out of the sermons in which the rhetorical structure was apparent, which rhetorical theory would fit as theoretical base for the concept of appealing in its relationship with the rhetorical structure in the sermons, and what dilemma the preachers face when they try to convince their listeners to participate in the care for the poor. The rhetorical theory of deliberative rhetoric (Aristotle and the classical theory with the three dimensions logos, ethosand pathosis discussed in this article as theoretical thickening of the concept of appealingto the listeners of the sermons. This article attempts to demonstrate how to go about theorising from a grounded theory analysis of sermons with Matthew 25:31–46 as a sermon text with, as result, a theory that could help preachers in preaching from this text in the context of poverty in South Africa.

  9. Joint analyses of longitudinal and time-to-event data in research on aging: Implications for predicting health and survival

    Directory of Open Access Journals (Sweden)

    Konstantin G. Arbeev

    2014-11-01

    Full Text Available Longitudinal data on aging, health and longevity provide a wealth of information to investigate different aspects of the processes of aging and development of diseases leading to death. Statistical methods aimed at analyses of time-to-event data jointly with longitudinal measurements became known as the joint models (JM. An important point to consider in analyses of such data in the context of studies on aging, health, and longevity is how to incorporate knowledge and theories about mechanisms and regularities of aging-related changes that accumulate in the research field into respective analytic approaches. In the absence of specific observations of longitudinal dynamics of relevant biomarkers manifesting such mechanisms and regularities, traditional approaches have a rather limited utility to estimate respective parameters that can be meaningfully interpreted from the biological point of view. A conceptual analytic framework for these purposes, the stochastic process model of aging (SPM, has been recently developed in the biodemographic literature. It incorporates available knowledge about mechanisms of aging-related changes which may be hidden in the individual longitudinal trajectories of physiological variables and this allows for analyzing their indirect impact on risks of diseases and death. Despite, essentially, serving similar purposes, JM and SPM developed in parallel in different disciplines with very limited cross-referencing. Although there were several publications separately reviewing these two approaches, there were no publications presenting both these approaches in some detail. Here we overview both approaches jointly and provide some new modifications of SPM. We discuss the use of stochastic processes to capture biological variation and heterogeneity in longitudinal patterns and important and promising (but still largely underused applications of JM and SPM to predictions of individual and population mortality and health

  10. Design by theoretical and CFD analyses of a multi-blade screw pump evolving liquid lead for a Generation IV LFR

    Energy Technology Data Exchange (ETDEWEB)

    Ferrini, Marcello [GeNERG - DIME/TEC, University of Genova, via all’Opera Pia 15/a, 16145 Genova (Italy); Borreani, Walter [Ansaldo Nucleare S.p.A., Corso F.M. Perrone 25, 16152 Genova (Italy); INFN, Via Dodecaneso 33, 16146 Genova (Italy); Lomonaco, Guglielmo, E-mail: guglielmo.lomonaco@unige.it [GeNERG - DIME/TEC, University of Genova, via all’Opera Pia 15/a, 16145 Genova (Italy); INFN, Via Dodecaneso 33, 16146 Genova (Italy); Magugliani, Fabrizio [Ansaldo Nucleare S.p.A., Corso F.M. Perrone 25, 16152 Genova (Italy)

    2016-02-15

    Lead-cooled fast reactor (LFR) has both a long history and a penchant of innovation. With early work related to its use for submarine propulsion dating to the 1950s, Russian scientists pioneered the development of reactors cooled by heavy liquid metals (HLM). More recently, there has been substantial interest in both critical and subcritical reactors cooled by lead (Pb) or lead–bismuth eutectic (LBE), not only in Russia, but also in Europe, Asia, and the USA. The growing knowledge of the thermal-fluid-dynamic properties of these fluids and the choice of the LFR as one of the six reactor types selected by Generation IV International Forum (GIF) for further research and development has fostered the exploration of new geometries and new concepts aimed at optimizing the key components that will be adopted in the Advanced Lead Fast Reactor European Demonstrator (ALFRED), the 300 MW{sub t} pool-type reactor aimed at proving the feasibility of the design concept adopted for the European Lead-cooled Fast Reactor (ELFR). In this paper, a theoretical and computational analysis is presented of a multi-blade screw pump evolving liquid Lead as primary pump for the adopted reference conceptual design of ALFRED. The pump is at first analyzed at design operating conditions from the theoretical point of view to determine the optimal geometry according to the velocity triangles and then modeled with a 3D CFD code (ANSYS CFX). The choice of a 3D simulation is dictated by the need to perform a detailed spatial simulation taking into account the peculiar geometry of the pump as well as the boundary layers and turbulence effects of the flow, which are typically tri-dimensional. The use of liquid Lead impacts significantly the fluid dynamic design of the pump because of the key requirement to avoid any erosion affects. These effects have a major impact on the performance, reliability and lifespan of the pump. Albeit some erosion-related issues remain to be fully addressed, the results

  11. Concurrence of the Blandford-Payne Process and the Bardeen-Petterson Effect: Theoretical Prediction and its Observational Evidences

    OpenAIRE

    Kim, Hongsu; Kim, Yanghwan

    2015-01-01

    Although the Blandford-Payne process, the standard model for the production of AGN jet outflow, has been fully acknowledged and long-known in both the theoretical Astrophysics and observational Astronomy communities, subsequent research works to gain observational supports have been quite rare. In the present work, therefore, we would like to suggest a likely event and encourage its observation which demonstrates observational supports for the Blandford-Payne process. That is, we propose the ...

  12. Theoretical investigation on the microstructure of triethylene glycol based deep eutectic solvents: COSMO-RS and TURBOMOLE prediction

    Science.gov (United States)

    Aissaoui, Tayeb; Benguerba, Yacine; AlNashef, Inas M.

    2017-08-01

    The in-silico combination mechanism of triethylene glycol based DESs has been studied. COSMO-RS and graphical user interface TmoleX software were used to predict the interaction mechanism of hydrogen bond donors (HBDs) with hydrogen bond acceptors (HBA) to form DESs. The predicted IR results were compared with the previously reported experimental FT-IR analysis for the same studied DESs. The sigma profiles for the HBD, HBAs and formed DESs were interpreted to identify qualitatively molecular properties like polarity or hydrogen bonding donor and acceptor abilities. The predicted physicochemical properties reported in this study were in good agreement with experimental ones.

  13. The Theorical Validity of the Dimension of Analysing the Indicators of Corporate Social Responsibility Projects: A Theoretical Approach of the Ethos Indicators’ Adherence to Academic Models

    Directory of Open Access Journals (Sweden)

    Geceler Leandro Senefonte

    2014-06-01

    Full Text Available Corporate social responsibility revives the discussion regarding the creation of shared value, where organizations should generate social value, without compromising the unquestionable mission of generating economic value for shareholders. The projects of corporate social responsibility and sustainability, as in any kind of project, have resource, deadlines and scope constraints, and they need to be managed and assessed through indicators. The literature describes some models of indicators for the assessment of projects on corporate social responsibility and sustainability. This paper aims to: discuss four models found in the literature, analyzing the indicators proposed by the Ethos Institute and checking out for adhesion between these indicators and the models discussed. This is a theoretical article, based on a bibliographic research and it begets as a result, in addition to the aims set out, the consolidation of the dimensions of analysis of the models studied. As a proposition for new studies, this article recommends research in the field about the adherence of the dimensions of analysis by the indicators developed empirically in organizations, with the dimensions consolidated in this article.

  14. Experimental and theoretical study of horizontal-axis wind turbines

    OpenAIRE

    Anderson, Michael Broughton

    1981-01-01

    An experimental and theoretical study of horizontal-axis wind turbines is undertaken. The theoretical analyses cover the four major areas of aerodynamics, turbulence. aeroelasticity and blade optimisation. EXisting aerodynamic theories based on blade-element theory for predicting the loads on a wind turbine blade are reviewed and extended to include non-uniform flow, tip losses and the 'turbulent wake' state. A theoretical model based on a free vortex representation of a ...

  15. Loneliness Predicts Increased Blood Pressure: Five-Year Cross-Lagged Analyses in Middle-Aged and Older Adults

    Science.gov (United States)

    Hawkley, Louise C.; Thisted, Ronald A.; Masi, Christopher M.; Cacioppo, John T.

    2009-01-01

    Loneliness is a prevalent social problem with serious physiological and health implications. However, much of the research to date is based on cross-sectional data, including our own earlier finding that loneliness was associated with elevated blood pressure. In this study, we tested the hypothesis that the effect of loneliness accumulates to produce greater increases in SBP over a four-year period than are observed in less lonely individuals. A population-based sample of 229 50–68 year-old White, Black, and Hispanic men and women in the Chicago Health, Aging, and Social Relations Study was tested annually for each of five consecutive years. Cross-lagged panel analyses revealed that loneliness at study onset predicted increases in SBP 2, 3, and 4 years later (B = 0.152, SE = 0.091, p loneliness were associated with greater increases in SBP over a 4-year period. The effect of loneliness on SBP was independent of age, gender, race/ethnicity, cardiovascular risk factors, medications, health conditions, and the effects of depressive symptoms, social support, perceived stress, and hostility. PMID:20230134

  16. ATOP - The Advanced Taiwan Ocean Prediction System Based on the mpiPOM. Part 1: Model Descriptions, Analyses and Results

    Directory of Open Access Journals (Sweden)

    Leo Oey

    2013-01-01

    Full Text Available A data-assimilated Taiwan Ocean Prediction (ATOP system is being developed at the National Central University, Taiwan. The model simulates sea-surface height, three-dimensional currents, temperature and salinity and turbulent mixing. The model has options for tracer and particle-tracking algorithms, as well as for wave-induced Stokes drift and wave-enhanced mixing and bottom drag. Two different forecast domains have been tested: a large-grid domain that encompasses the entire North Pacific Ocean at 0.1° × 0.1° horizontal resolution and 41 vertical sigma levels, and a smaller western North Pacific domain which at present also has the same horizontal resolution. In both domains, 25-year spin-up runs from 1988 - 2011 were first conducted, forced by six-hourly Cross-Calibrated Multi-Platform (CCMP and NCEP reanalysis Global Forecast System (GSF winds. The results are then used as initial conditions to conduct ocean analyses from January 2012 through February 2012, when updated hindcasts and real-time forecasts begin using the GFS winds. This paper describes the ATOP system and compares the forecast results against satellite altimetry data for assessing model skills. The model results are also shown to compare well with observations of (i the Kuroshio intrusion in the northern South China Sea, and (ii subtropical counter current. Review and comparison with other models in the literature of ¡§(i¡¨ are also given.

  17. Theoretical strengthening of the concept of appealing in analysed sermons on Matthew 25:31–46 in the context of poverty in South Africa

    Directory of Open Access Journals (Sweden)

    Hennie J.C. Pieterse

    2013-08-01

    Full Text Available From a qualitative grounded theory analysis in a sample of 26 sermons with Matthew 25:31–46 as sermon text, a rhetorical structure of how the preachers try to convince their listeners to care for the poor emerged. The homiletical concept of appealing related to all the categories borne out of the analysis of the inner world of the 26 sermons, and also to the categories showing this rhetorical structure in the sermons. The article discusses what the dimensions are in the concept of appealing borne out of the sermons in which the rhetorical structure was apparent, which rhetorical theory would fit as theoretical base for the concept of appealing in its relationship with the rhetorical structure in the sermons, and what dilemma the preachers face when they try to convince their listeners to participate in the care for the poor. The rhetorical theory of deliberative rhetoric (Aristotle and the classical theory with the three dimensions logos, ethos and pathosis discussed in this article as theoretical thickening of the concept of appealing to the listeners of the sermons. This article attempts to demonstrate how to go about theorising from a grounded theory analysis of sermons with Matthew 25:31–46 as a sermon text with, as result, a theory that could help preachers in preaching from this text in the context of poverty in South Africa. Vanuit ’n kwalitatief-gegronde teorie-ontleding (grounded theory analysis van 26 preke met Matteus 25:31–46 as preekteks, het ’n retoriese struktuur na vore gekom waarmee predikers hulle toehoorders wil oorreed om armes te versorg. Die homiletiese konsep van appèl, hou verband met al die kategorieë wat uit die inhoudsanalise van die binnewêreld van die 26 preke na vore gekom het, asook die kategorieë waarin die retoriese struktuur sigbaar is. Die artikel bespreek die dimensies in die konsep van appèl wat na vore kom uit die preke waarin die retoriese struktuur duidelik is, welke retoriese teorie as

  18. Aportes teóricos para análise política da Universidade Theoretical contributions for the political analyse of the University

    Directory of Open Access Journals (Sweden)

    Roseana Costa Leite

    2011-04-01

    Full Text Available Dada a centralidade das instituições educativas de ensino superior no processo de globalização e a emergência de novos conflitos no interior das mesmas, apresenta-se um estudo que constrói uma proposta teórica multidimensional, baseada nas teorias da sociologia política, para análise dos processos políticos da educação superior. Tal proposta integra processos e níveis das teorias sobre o Estado e o sistema político, teorias sociológicas da educação e teorias do poder em suas dimensões instrumental, de controle de agendas e de construção ideológica, todas centradas na análise do conflito e do político. O estudo reconhece que as organizações de educação são espaços políticos em que se confrontam visões e projetos alternativos e que os conflitos giram em torno de temáticas centrais, que podem ser sintetizadas em: acesso, uso social do conhecimento, destinação de recursos, a natureza das profissões e das disciplinas acadêmicas e a característica do trabalho acadêmico.Regarding the centrality of higher education institutions in the globalization process and the emergency of new conflicts inside the same, this article introduces itself as a study that builds a multidimensional theoretical proposal, based on the social political theories, to analyze the higher education political process. The study acknowledges educational institutions as political spaces in which different conceptions and alternative projects are confronted and main conflicts spin around some central themes, such as: access, social use of knowledge, resource allotment, professional and academics characteristics.

  19. An equation to estimate the difference between theoretically predicted and SDS PAGE-displayed molecular weights for an acidic peptide.

    Science.gov (United States)

    Guan, Yihong; Zhu, Qinfang; Huang, Delai; Zhao, Shuyi; Jan Lo, Li; Peng, Jinrong

    2015-08-27

    The molecular weight (MW) of a protein can be predicted based on its amino acids (AA) composition. However, in many cases a non-chemically modified protein shows an SDS PAGE-displayed MW larger than its predicted size. Some reports linked this fact to high content of acidic AA in the protein. However, the exact relationship between the acidic AA composition and the SDS PAGE-displayed MW is not established. Zebrafish nucleolar protein Def is composed of 753 AA and shows an SDS PAGE-displayed MW approximately 13 kDa larger than its predicted MW. The first 188 AA in Def is defined by a glutamate-rich region containing ~35.6% of acidic AA. In this report, we analyzed the relationship between the SDS PAGE-displayed MW of thirteen peptides derived from Def and the AA composition in each peptide. We found that the difference between the predicted and SDS PAGE-displayed MW showed a linear correlation with the percentage of acidic AA that fits the equation y = 276.5x - 31.33 (x represents the percentage of acidic AA, 11.4% ≤ x ≤ 51.1%; y represents the average ΔMW per AA). We demonstrated that this equation could be applied to predict the SDS PAGE-displayed MW for thirteen different natural acidic proteins.

  20. An Approach for Validating Actinide and Fission Product Burnup Credit Criticality Safety Analyses-Isotopic Composition Predictions

    Energy Technology Data Exchange (ETDEWEB)

    Radulescu, Georgeta [ORNL; Gauld, Ian C [ORNL; Ilas, Germina [ORNL; Wagner, John C [ORNL

    2011-01-01

    The expanded use of burnup credit in the United States (U.S.) for storage and transport casks, particularly in the acceptance of credit for fission products, has been constrained by the availability of experimental fission product data to support code validation. The U.S. Nuclear Regulatory Commission (NRC) staff has noted that the rationale for restricting the Interim Staff Guidance on burnup credit for storage and transportation casks (ISG-8) to actinide-only is based largely on the lack of clear, definitive experiments that can be used to estimate the bias and uncertainty for computational analyses associated with using burnup credit. To address the issues of burnup credit criticality validation, the NRC initiated a project with the Oak Ridge National Laboratory to (1) develop and establish a technically sound validation approach for commercial spent nuclear fuel (SNF) criticality safety evaluations based on best-available data and methods and (2) apply the approach for representative SNF storage and transport configurations/conditions to demonstrate its usage and applicability, as well as to provide reference bias results. The purpose of this paper is to describe the isotopic composition (depletion) validation approach and resulting observations and recommendations. Validation of the criticality calculations is addressed in a companion paper at this conference. For isotopic composition validation, the approach is to determine burnup-dependent bias and uncertainty in the effective neutron multiplication factor (keff) due to bias and uncertainty in isotopic predictions, via comparisons of isotopic composition predictions (calculated) and measured isotopic compositions from destructive radiochemical assay utilizing as much assay data as is available, and a best-estimate Monte Carlo based method. This paper (1) provides a detailed description of the burnup credit isotopic validation approach and its technical bases, (2) describes the application of the approach for

  1. Predicting uptake of continuous positive airway pressure (CPAP) therapy in obstructive sleep apnoea (OSA): a belief-based theoretical approach.

    Science.gov (United States)

    Skinner, Timothy; McNeil, Lindsay; Olaithe, Michelle; Eastwood, Peter; Hillman, David; Phang, Janet; de Regt, Tamara; Bucks, Romola S

    2013-12-01

    Obstructive sleep apnoea (OSA) is a common disorder, for which continuous positive airway pressure (CPAP) therapy is a standard treatment. Despite its well-established efficacy, many patients choose not to initiate CPAP treatment. The present study investigated the degree to which biological measures (e.g. Apnoea-Hypopnoea Index [AHI]), symptom experiences (e.g. fatigue) and illness representations (e.g. perceived consequences) predict the decision of individuals newly diagnosed with OSA to undergo a trial of CPAP therapy. Four hundred forty-nine individuals (316 males) newly diagnosed with OSA. Epworth sleepiness scale (ESS), Fatigue Severity Scale, Depression Anxiety Stress Scale and Illness Perception Questionnaire-Revised (IPQ-R) were administered at time of sleep study. These, patient demographics and sleep study variables were used to determine factors predicting patient decision to proceed with a trial of CPAP. The participants were most likely to attribute their OSA to unchangeable and psychological factors. For those with moderate OSA (AHI, 15 to 30) IPQ-R illness consequence was predictive of decision to initiate CPAP (p = 0.002). For severe OSA (AHI >30) age, ESS and IPQ illness causal beliefs were predictive of decision to initiate CPAP (p OSA patients whether or not to undertake a trial of CPAP therapy. Concerns about illness consequences were important in those with moderate OSA. In severe OSA, sleepiness symptoms are more prominent and a more significant determinant of CPAP uptake along with age and causal beliefs.

  2. A Bayesian network model for predicting aquatic toxicity mode of action using two dimensional theoretical molecular descriptors

    Science.gov (United States)

    The mode of toxic action (MoA) has been recognized as a key determinant of chemical toxicity, but development of predictive MoA classification models in aquatic toxicology has been limited. We developed a Bayesian network model to classify aquatic toxicity MoA using a recently pu...

  3. THEORETICAL ASPECTS OF THE PREDICTIONAL INSTRUMENTATION FOR APPLICATION IN THE STATE REGULATION OF THE PARTICIPANTS RELATIONSHIPS IN THE ELECTRICITY MARKET

    Directory of Open Access Journals (Sweden)

    Anastasiia Koliesnichenko

    2017-11-01

    Full Text Available The article presents the problems of current trends in the development of the electric power industry in conditions of increasing capital concentration, informing the economy and increasing the dynamics of the movement of significant amounts of cash flows which require a permanent analysis of the current situation and the necessary adjustment and / or modification of the parameters for the regulation of energy markets. From this article it can be concluded that the task of constructing forecasts acquires high relevance in many subject areas. It is an integral component of the daily work of modern social and economical systems. The interrelations of the subjects of the electric energy market are the one of the its most important institutions. The purpose of this article is to study the theoretical basis for the adaptive application of forecasting methods in the functioning of energy markets. In order to avoid the dominance of commercial interests of certain groups of participants in the energy market, the emergence of price distortions in the market that have a destructive effect on obtaining potential benefits from the introduction of competitive mechanisms, the key to finding the most effective and economical way to solve these problems is the use of systemic regulation of emerging deviations in achieving target milestones especially in the context of reform. The informational and analytical support formation for the performance of the functions assigned to the regulatory apparatus requires the use of forecasting methods and approaches to preserve the dynamic development of the electric energy market and to maintain the balance of interests of all its subjects in the conditions of reform. The article uses a number of methods: classification and systematization in the analysis of scientific methods for forecasting and planning social and economic processes, logical generalization when reviewing existing modeling methods and assessing their

  4. Predictive functional profiling using marker gene sequences and community diversity analyses of microbes in full-scale anaerobic sludge digesters.

    Science.gov (United States)

    Gao, Jing; Liu, Guoji; Li, Hongping; Xu, Li; Du, Lili; Yang, Bo

    2016-07-01

    Anaerobic digestion (AD) is widely used in treating the sewage sludge, as it can reduce the amount of sludge, eliminate pathogens and produce biofuel. To enhance the operational performance and stability of anaerobic bioreactors, operational and conventional chemical data from full-scale sludge anaerobic digesters were collected over a 2-year period and summarized, and the microbial community diversity of the sludge sample was investigated at various stages of the AD process. For the purpose of distinguishing between the functional and community diversity of the microbes, Phylogenetic Investigation of Communities by Reconstruction of Unobserved States (PICRUSt) software was used to impute the prevalence of 16S rDNA marker gene sequences in the difference in various sludge samples. Meanwhile, a taxa analysis was also carried out to investigate the different sludge samples. The microbial community diversity analysis of one AD sludge sample showed that the most dominant bacterial genera were Saccharicrinis, Syntrophus, Anaerotruncus and Thermanaerothrix. Among archaea, acetoclastic Methanosaeta represented 56.0 %, and hydrogenotrophic Methanospirillum, Methanoculleus, Methanothermus and Methanolinea accounted for 41.3 % of all methanogens. The taxa, genetic and functional prediction analyses of the feedstock and AD sludge samples suggested great community diversity differences between them. The taxa of bacteria in two AD sludge samples were considerably different, but the abundances of the functional KEGG pathways took on similar levels. The numbers of identified pathogens were significantly lower in the digested sludge than in the feedstock, but the PICRUSt results showed the difference in "human diseases" abundances in the level-1 pathway between the two sludge samples was small.

  5. Argumentation et Analyse du discours : perspectives théoriques et découpages disciplinaires Argumentation and Discourse Analysis: Theoretical perspectives and disciplinary boundaries

    Directory of Open Access Journals (Sweden)

    Ruth Amossy

    2008-09-01

    Full Text Available L’objectif principal de cet article est double : exposer les avantages d’une intégration de l’argumentation dans l’AD (dans son versant français contemporain ; traiter des questions d’interdisciplinarité issues de cette approche dans leurs dimensions à la fois scientifiques et institutionnelles. La première partie offre une synthèse de la théorie de « l’argumentation dans le discours » où l’argumentation en langue naturelle apparaît comme une partie intégrante d’un fonctionnement discursif global. Celui-ci doit être exploré dans sa situation de discours, son genre and ses aspects dialogiques, intertextuels et rh��toriques (ethos et pathos. Cette théorie se fonde sur une définition de l’argumentation empruntée à la nouvelle rhétorique de Perelman mais élargie - au-delà des discours à visée persuasive - aux discours qui, sans se targuer de persuader, déploient néanmoins une « dimension argumentative » qui contribue à faire voir le réel d’une certaine façon. La seconde partie interroge le statut disciplinaire de l’analyse du discours et de l’argumentation dans le discours comme une branche de la linguistique, d’une part, et comme une discipline autorisant des investigations littéraires, historiques, etc., d’autre part. Tout en exemplifiant la nature du type de questions étudiées dans chaque discipline, elle met en lumière les problèmes que suscite la transgression des limites disciplinaires traditionnelles. Elle suggère de faire la différence entre l’étude de questions strictement discursives propres aux sciences du langage, et la tentative de répondre à l’aide d’une analyse discursive et argumentative aux questionnements qui se font jour dans d’autres disciplines. Il apparaît néanmoins que la recherche fondée sur l’analyse de corpus éclaire souvent quelque aspect d’une discipline étrangère même quand elle met l’accent sur son questionnement propre

  6. Comparison between measurements, simulations, and theoretical predictions of the extraction kicker transverse dipole instability in the Spallation Neutron Source

    Directory of Open Access Journals (Sweden)

    J. A. Holmes

    2011-07-01

    Full Text Available Occasionally, it is possible to bring together experiment, theory, and simulation in detail. Such an occasion occurred during a high intensity beam physics study in the Spallation Neutron Source (SNS. A transverse dipole instability in the vertical direction has been observed in the accumulator ring for a coasting beam that was stored for 10 000 turns. This instability was observed at a beam intensity of about 12   μC and was characterized by a frequency spectrum peaking at about 6 MHz. The probable cause of the instability is the impedance of the ring extraction kickers. We carry out here a detailed benchmark of the observed instability, uniting an analysis of the experimental data, a precise ORBIT code tracking simulation, and a theoretical estimate of the observed beam instability.

  7. Theoretical prediction and experimental confirmation of unusual ternary ordered semiconductor compounds in Sr-Pb-S system.

    Science.gov (United States)

    Hao, Shiqiang; Zhao, Li-Dong; Chen, Chang-Qiang; Dravid, Vinayak P; Kanatzidis, Mercouri G; Wolverton, Christopher M

    2014-01-29

    We examine the thermodynamics of phase separation and ordering in the ternary Ca(x)Pb(1-x)S and Sr(x)Pb(1-x)S systems by density-functional theory combined with a cluster expansion and Monte Carlo simulations. Similar to most other ternary III-V or IV-VI semiconductor alloys, we find that bulk phase separation is thermodynamically preferred for PbS-CaS. However, we predict the surprising existence of stable, ordered ternary compounds in the PbS-SrS system. These phases are previously unreported ordered rocksalt-based compounds: SrPb3S4, SrPbS2, and Sr3PbS4. The stability of these predicted ordered phases is confirmed by transmission electron microscopy observations and band gap measurements. We believe this work paves the way for a combined theory-experiment approach to decipher complex phase relations in multicomponent chalcogenide systems.

  8. Perspectives for tests of neutrino mass generation at the GeV scale. Experimental reach versus theoretical predictions

    Energy Technology Data Exchange (ETDEWEB)

    Rasmussen, Rasmus W.; Winter, Walter

    2016-11-15

    We discuss the parameter space reach of future experiments searching for heavy neutral leptons (HNLs) at the GeV scale in terms of neutrino mass models with three HNL generations. We focus on two classes of models: Generic assumptions (such as random mass matrices or the Casas-Ibarra parameterization) and flavor symmetry-generated models. We demonstrate that the generic approaches lead to comparable parameter space predictions, which tend to be at least partially within the reach of future experiments. On the other hand, specific flavor symmetry models yield more refined predictions, some of these can be more clearly excluded. We also highlight the importance to measure the flavor-dependent couplings of the HNLs as a model discriminator, and we clarify the impact of assumptions frequently used in the literature to show the parameter space reach for the active-sterile mixings.

  9. Theoretical prediction of noble gas inserted halocarbenes: FNgCX (Ng = Kr, and Xe; X = F, Cl, Br, and I)

    Science.gov (United States)

    Chopra, Pragya; Ghosh, Ayan; Roy, Banasri; Ghanty, Tapan K.

    2017-09-01

    A new series of neutral noble gas inserted compounds involving halocarbenes, mainly, FNgCX (Ng = Kr, and Xe; X = F, Cl, Br, and I) has been predicted through various ab initio quantum chemical techniques such as MP2, DFT, CCSD(T) and MRCI. The structure, stabilities, charge distribution, harmonic vibrational frequencies and topological properties of these compounds have been investigated. It is found that the predicted species are energetically stable with respect to all the plausible 2-body and 3-body dissociation pathways, with the exception of the 2-body channel that leads to the global minimum products (FCX + Ng). Despite this, existence of finite barrier heights indicates that these compounds are kinetically stable with respect to global minimum products. The computational results indicate that it might be possible to prepare and characterize the most stable singlet state of FNgCX molecules under cryogenic conditions through suitable experimental technique(s).

  10. Mechanism of Alkoxy Groups Substitution by Grignard Reagents on Aromatic Rings and Experimental Verification of Theoretical Predictions of Anomalous Reactions

    Science.gov (United States)

    Jiménez-Osés, Gonzalo; Brockway, Anthony J.; Shaw, Jared T.; Houk, K. N.

    2013-01-01

    The mechanism of direct displacement of alkoxy groups in vinylogous and aromatic esters by Grignard reagents, a reaction that is not observed with expectedly better tosyloxy leaving groups, is elucidated computationally. The mechanism of this reaction has been determined to proceed through the inner-sphere attack of nucleophilic alkyl groups from magnesium to the reacting carbons via a metalaoxetane transition state. The formation of a strong magnesium chelate with the reacting alkoxy and carbonyl groups dictates the observed reactivity and selectivity. The influence of ester, ketone and aldehyde substituents was investigated. In some cases, the calculations predicted the formation of products different than those previously reported; these predictions were then verified experimentally. The importance of studying the actual system, and not simplified models as computational systems, is demonstrated. PMID:23601086

  11. Theoretical study on modeling and prediction of optical rotation for biodegradable polymers containing α-amino acids using QSAR approaches.

    Science.gov (United States)

    Mallakpour, Shadpour; Hatami, Mehdi; Golmohammadi, Hassan

    2011-07-01

    The main purpose of the present study was modeling and prediction of the optical rotation ([M](D)) of some biodegradable polymers containing α-amino acids using quantitative structure-activity relationship (QSAR) approaches. In order to attain this goal, the optical rotation of a collection of 53 polymers was selected as a data set. The data set was randomly divided into three sections, training, test and external validation sets. By using dragon software, various descriptors were calculated for all molecules in the data set. The important descriptors were selected applying genetic algorithm-partial least squares (GA-PLS) method. Then an artificial neural network (ANN) was written with MATLAB 7 and used these descriptors as inputs and its output was optical rotation of desired polymers. Then, the constructed network was used for the prediction of ([M](D)) values of validation set. The squared correlation coefficient R² values of the ANN model for the training, test and validation sets were 0.998, 0.996 and 0.996 respectively. The results showed the ability of developed ANN to predict optical rotation of various polymers.

  12. An assessment of theoretical procedures for predicting the thermochemistry and kinetics of hydrogen abstraction by methyl radical from benzene.

    Science.gov (United States)

    Hemelsoet, Karen; Moran, Damian; Van Speybroeck, Veronique; Waroquier, Michel; Radom, Leo

    2006-07-20

    The reaction enthalpy (298 K), barrier (0 K), and activation energy and preexponential factor (600-800 K) have been examined computationally for the abstraction of hydrogen from benzene by the methyl radical, to assess their sensitivity to the applied level of theory. The computational methods considered include high-level composite procedures, including W1, G3-RAD, G3(MP2)-RAD, and CBS-QB3, as well as conventional ab initio and density functional theory (DFT) methods, with the latter two classes employing the 6-31G(d), 6-31+G(d,p) and/or 6-311+G(3df,2p) basis sets, and including ZPVE/thermal corrections obtained from 6-31G(d) or 6-31+G(d,p) calculations. Virtually all the theoretical procedures except UMP2 are found to give geometries that are suitable for subsequent calculation of the reaction enthalpy and barrier. For the reaction enthalpy, W1, G3-RAD, and URCCSD(T) give best agreement with experiment, while the large-basis-set DFT procedures slightly underestimate the endothermicity. The reaction barrier is slightly more sensitive to the choice of basis set and/or correlation level, with URCCSD(T) and the low-cost BMK method providing values in close agreement with the benchmark G3-RAD value. Inspection of the theoretically calculated rate parameters reveals a minor dependence on the level of theory for the preexponential factor. There is more sensitivity for the activation energy, with a reasonable agreement with experiment being obtained for the G3 methods and the hybrid functionals BMK, BB1K, and MPW1K, especially in combination with the 6-311+G(3df,2p) basis set. Overall, the high-level G3-RAD composite procedure, URCCSD(T), and the cost-effective DFT methods BMK, BB1K, and MPW1K give the best results among the methods assessed for calculating the thermochemistry and kinetics of hydrogen abstraction by the methyl radical from benzene.

  13. Hierarchical representations of the five-factor model of personality in predicting job performance: integrating three organizing frameworks with two theoretical perspectives.

    Science.gov (United States)

    Judge, Timothy A; Rodell, Jessica B; Klinger, Ryan L; Simon, Lauren S; Crawford, Eean R

    2013-11-01

    Integrating 2 theoretical perspectives on predictor-criterion relationships, the present study developed and tested a hierarchical framework in which each five-factor model (FFM) personality trait comprises 2 DeYoung, Quilty, and Peterson (2007) facets, which in turn comprise 6 Costa and McCrae (1992) NEO facets. Both theoretical perspectives-the bandwidth-fidelity dilemma and construct correspondence-suggest that lower order traits would better predict facets of job performance (task performance and contextual performance). They differ, however, as to the relative merits of broad and narrow traits in predicting a broad criterion (overall job performance). We first meta-analyzed the relationship of the 30 NEO facets to overall job performance and its facets. Overall, 1,176 correlations from 410 independent samples (combined N = 406,029) were coded and meta-analyzed. We then formed the 10 DeYoung et al. facets from the NEO facets, and 5 broad traits from those facets. Overall, results provided support for the 6-2-1 framework in general and the importance of the NEO facets in particular. (c) 2013 APA, all rights reserved.

  14. Theoretical Prediction of Rate Constants for Hydrogen Abstraction by OH, H, O, CH3, and HO2 Radicals from Toluene.

    Science.gov (United States)

    Li, Shu-Hao; Guo, Jun-Jiang; Li, Rui; Wang, Fan; Li, Xiang-Yuan

    2016-05-26

    Hydrogen abstraction from toluene by OH, H, O, CH3, and HO2 radicals are important reactions in oxidation process of toluene. Geometries and corresponding harmonic frequencies of the reactants, transition states as well as products involved in these reactions are determined at the B3LYP/6-31G(2df,p) level. To achieve highly accurate thermochemical data for these stationary points on the potential energy surfaces, the Gaussian-4(G4) composite method was employed. Torsional motions are treated either as free rotors or hindered rotors in calculating partion functions to determine thermodynamic properties. The obtained standard enthalpies of formation for reactants and some prodcuts are shown to be in excellent agreement with experimental data with the largest error of 0.5 kcal mol(-1). The conventional transition state theory (TST) with tunneling effects was adopted to determine rate constants of these hydrogen abstraction reactions based on results from quantum chemistry calculations. To faciliate its application in kinetic modeling, the obtained rate constants are given in Arrhenius expression: k(T) = AT(n) exp(-EaR/T). The obtained reaction rate constants also agree reasonably well with available expermiental data and previous theoretical values. Branching ratios of these reactions have been determined. The present reaction rates for these reactions have been used in a toluene combustion mechanism, and their effects on some combustion properties are demonstrated.

  15. Theoretical prediction of energy release rate for interface crack initiation by thermal stress in environmental barrier coatings for ceramics

    Science.gov (United States)

    Kawai, E.; Umeno, Y.

    2017-05-01

    As weight reduction of turbines for aircraft engines is demanded to improve fuel consumption and curb emission of carbon dioxide, silicon carbide (SiC) fiber reinforced SiC matrix composites (SiC/SiC) are drawing enormous attention as high-pressure turbine materials. For preventing degradation of SiC/SiC, environmental barrier coatings (EBC) for ceramics are deposited on the composites. The purpose of this study is to establish theoretical guidelines for structural design which ensures the mechanical reliability of EBC. We conducted finite element method (FEM) analysis to calculate energy release rates (ERRs) for interface crack initiation due to thermal stress in EBC consisting of Si-based bond coat, Mullite and Ytterbium (Yb)-silicate layers on a SiC/SiC substrate. In the FEM analysis, the thickness of one EBC layer was changed from 25 μm to 200 μm while the thicknesses of the other layers were fixed at 25 μm, 50 μm and 100 μm. We compared ERRs obtained by the FEM analysis and a simple theory for interface crack in a single-layered structure where ERR is estimated as nominal strain energy in the coating layers multiplied by a constant factor (independent of layer thicknesses). We found that, unlike the case of single-layered structures, the multiplication factor is no longer a constant but is determined by the combination of consisting coating layer thicknesses.

  16. Predicting the solubility of xenon in n-hexane and n-perfluorohexane: a simulation and theoretical study

    Science.gov (United States)

    Bonifacio, Rui P.; Filipe, Eduardo J. M.; McCabe, Clare; Costa Gomes, Margarida F.; Padua, Agilio A. H.

    The solubility of xenon in n-hexane and n-perfluorohexane has been studied using both molecular simulation and a version of the SAFT approach (SAFT-VR). The calculations were performed close to the saturation line of each solvent, between 200K and 450K, which exceeds the smaller temperature range where experimental data are available in the literature. Molecular dynamics simulations, associated with Widom's test particle insertion method, were used to calculate the residual chemical potential of xenon in n-hexane and nperfluorohexane and the corresponding Henry's law coefficients. The simulation results overestimate the solubility of xenon in both solvents when simple geometric combining rules are used, but are in good agreement if a binary interaction parameter is included. With the SAFTVR approach we are able to reproduce the experimental solubility for xenon in n-hexane, using simple Lorentz-Berthelot rules to describe the unlike interaction. In the case of nperfluorohexane as a solvent, a binary interaction parameter was introduced, taken from previous work on (Xe + C 2 F 6 ) mixtures. Overall, good agreement is obtained between the simulation, theoretical and experimental data.

  17. Biomimetic synthesis of silver nanoparticles by Citrus limon (lemon) aqueous extract and theoretical prediction of particle size.

    Science.gov (United States)

    Prathna, T C; Chandrasekaran, N; Raichur, Ashok M; Mukherjee, Amitava

    2011-01-01

    In the present study, silver nanoparticles were rapidly synthesized at room temperature by treating silver ions with the Citrus limon (lemon) extract. The effect of various process parameters like the reductant concentration, mixing ratio of the reactants and the concentration of silver nitrate were studied in detail. In the standardized process, 10(-2)M silver nitrate solution was interacted for 4h with lemon juice (2% citric acid concentration and 0.5% ascorbic acid concentration) in the ratio of 1:4 (vol:vol). The formation of silver nanoparticles was confirmed by Surface Plasmon Resonance as determined by UV-Visible spectra in the range of 400-500 nm. X-ray diffraction analysis revealed the distinctive facets (111, 200, 220, 222 and 311 planes) of silver nanoparticles. We found that citric acid was the principal reducing agent for the nanosynthesis process. FT-IR spectral studies demonstrated citric acid as the probable stabilizing agent. Silver nanoparticles below 50 nm with spherical and spheroidal shape were observed from transmission electron microscopy. The correlation between absorption maxima and particle sizes were derived for different UV-Visible absorption maxima (corresponding to different citric acid concentrations) employing "MiePlot v. 3.4". The theoretical particle size corresponding to 2% citric acid concentration was compared to those obtained by various experimental techniques like X-ray diffraction analysis, atomic force microscopy, and transmission electron microscopy. Copyright © 2010 Elsevier B.V. All rights reserved.

  18. An Experimental Path to Constraining the Origins of the Jupiter Trojans Using Observations, Theoretical Predictions, and Laboratory Simulants

    Science.gov (United States)

    Blacksberg, Jordana; Eiler, John; Brown, Mike; Ehlmann, Bethany; Hand, Kevin; Hodyss, Robert; Mahjoub, Ahmed; Poston, Michael; Liu, Yang; Choukroun, Mathieu; Carey, Elizabeth; Wong, Ian

    2014-11-01

    Hypotheses based on recent dynamical models (e.g. the Nice Model) shape our current understanding of solar system evolution, suggesting radical rearrangement in the first hundreds of millions of years of its history, changing the orbital distances of Jupiter, Saturn, and a large number of small bodies. The goal of this work is to build a methodology to concretely tie individual solar system bodies to dynamical models using observables, providing evidence for their origins and evolutionary pathways. Ultimately, one could imagine identifying a set of chemical or mineralogical signatures that could quantitatively and predictably measure the radial distance at which icy and rocky bodies first accreted. The target of the work presented here is the Jupiter Trojan asteroids, predicted by the Nice Model to have initially formed in the Kuiper belt and later been scattered inward to co-orbit with Jupiter. Here we present our strategy which is fourfold: (1) Generate predictions about the mineralogical, chemical, and isotopic compositions of materials accreted in the early solar system as a function of distance from the Sun. (2) Use temperature and irradiation to simulate evolutionary processing of ices and silicates, and measure the alteration in spectral properties from the UV to mid-IR. (3) Characterize simulants to search for potential fingerprints of origin and processing pathways, and (4) Use telescopic observations to increase our knowledge of the Trojan asteroids, collecting data on populations and using spectroscopy to constrain their compositions. In addition to the overall strategy, we will present preliminary results on compositional modeling, observations, and the synthesis, processing, and characterization of laboratory simulants including ices and silicates. This work has been supported by the Keck Institute for Space Studies (KISS). The research described here was carried out at the Jet Propulsion Laboratory, Caltech, under a contract with the National

  19. Theoretical prediction of electrocaloric effect based on non-linear behaviors of dielectric permittivity under temperature and electric fields

    Directory of Open Access Journals (Sweden)

    Hongbo Liu

    2015-11-01

    Full Text Available The electrocaloric (EC effect has been paid great attentions recently for applications on cooling or electricity generation. However, the directly commercial measurement equipment for the effect is still unavailable. Here we report a novel method to predict EC effect by non-linear behaviors of dielectric permittivity under temperature and electric fields. According to the method, the analytical equations of EC temperature change ΔT are directly given for normal ferroelectrics and relaxor. The calculations have been performed on several materials and it is shown that the method is suitable for both inorganic and organic ferroelectrics, and relaxor.

  20. An Approach for Validating Actinide and Fission Product Burnup Credit Criticality Safety Analyses--Criticality (keff) Predictions

    Energy Technology Data Exchange (ETDEWEB)

    Scaglione, John M [ORNL; Mueller, Don [ORNL; Wagner, John C [ORNL

    2011-01-01

    One of the most significant remaining challenges associated with expanded implementation of burnup credit in the United States is the validation of depletion and criticality calculations used in the safety evaluation - in particular, the availability and use of applicable measured data to support validation, especially for fission products. Applicants and regulatory reviewers have been constrained by both a scarcity of data and a lack of clear technical basis or approach for use of the data. U.S. Nuclear Regulatory Commission (NRC) staff have noted that the rationale for restricting their Interim Staff Guidance on burnup credit (ISG-8) to actinide-only is based largely on the lack of clear, definitive experiments that can be used to estimate the bias and uncertainty for computational analyses associated with using burnup credit. To address the issue of validation, the NRC initiated a project with the Oak Ridge National Laboratory to (1) develop and establish a technically sound validation approach (both depletion and criticality) for commercial spent nuclear fuel (SNF) criticality safety evaluations based on best-available data and methods and (2) apply the approach for representative SNF storage and transport configurations/conditions to demonstrate its usage and applicability, as well as to provide reference bias results. The purpose of this paper is to describe the criticality (k{sub eff}) validation approach, and resulting observations and recommendations. Validation of the isotopic composition (depletion) calculations is addressed in a companion paper at this conference. For criticality validation, the approach is to utilize (1) available laboratory critical experiment (LCE) data from the International Handbook of Evaluated Criticality Safety Benchmark Experiments and the French Haut Taux de Combustion (HTC) program to support validation of the principal actinides and (2) calculated sensitivities, nuclear data uncertainties, and the limited available fission

  1. Analyses of Potential Predictive Markers and Response to Targeted Therapy in Patients with Advanced Clear-cell Renal Cell Carcinoma

    Directory of Open Access Journals (Sweden)

    Yan Song

    2015-01-01

    Full Text Available Background: Vascular endothelial growth factor-targeted agents are standard treatments in advanced clear-cell renal cell carcinoma (ccRCC, but biomarkers of activity are lacking. The aim of this study was to investigate the association of Von Hippel-Lindau (VHL gene status, vascular endothelial growth factor receptor (VEGFR or stem cell factor receptor (KIT expression, and their relationships with characteristics and clinical outcome of advanced ccRCC. Methods: A total of 59 patients who received targeted treatment with sunitinib or pazopanib were evaluated for determination at Cancer Hospital and Institute, Chinese Academy of Medical Sciences between January 2010 and November 2012. Paraffin-embedded tumor samples were collected and status of the VHL gene and expression of VEGFR and KIT were determined by VHL sequence analysis and immunohistochemistry. Clinical-pathological features were collected and efficacy such as response rate and Median progression-free survival (PFS and overall survival (OS were calculated and then compared based on expression status. The Chi-square test, the Kaplan-Meier method, and the Lon-rank test were used for statistical analyses. Results: Of 59 patients, objective responses were observed in 28 patients (47.5%. The median PFS was 13.8 months and median OS was 39.9 months. There was an improved PFS in patients with the following clinical features: Male gender, number of metastatic sites 2 or less, VEGFR-2 positive or KIT positive. Eleven patients (18.6% had evidence of VHL mutation, with an objective response rate of 45.5%, which showed no difference with patients with no VHL mutation (47.9%. VHL mutation status did not correlate with either overall response rate (P = 0.938 or PFS (P = 0.277. The PFS was 17.6 months and 22.2 months in VEGFR-2 positive patients and KIT positive patients, respectively, which was significantly longer than that of VEGFR-2 or KIT negative patients (P = 0.026 and P = 0.043. Conclusion

  2. The improvement of a simple theoretical model for the prediction of the sound insulation of double leaf walls.

    Science.gov (United States)

    Davy, John L

    2010-02-01

    This paper presents a revised theory for predicting the sound insulation of double leaf cavity walls that removes an approximation, which is usually made when deriving the sound insulation of a double leaf cavity wall above the critical frequencies of the wall leaves due to the airborne transmission across the wall cavity. This revised theory is also used as a correction below the critical frequencies of the wall leaves instead of a correction due to Sewell [(1970). J. Sound Vib. 12, 21-32]. It is found necessary to include the "stud" borne transmission of the window frames when modeling wide air gap double glazed windows. A minimum value of stud transmission is introduced for use with resilient connections such as steel studs. Empirical equations are derived for predicting the effective sound absorption coefficient of wall cavities without sound absorbing material. The theory is compared with experimental results for double glazed windows and gypsum plasterboard cavity walls with and without sound absorbing material in their cavities. The overall mean, standard deviation, maximum, and minimum of the differences between experiment and theory are -0.6 dB, 3.1 dB, 10.9 dB at 1250 Hz, and -14.9 dB at 160 Hz, respectively.

  3. Theoretical predictions on the decay properties of superheavy nuclei Z = 123 in the region 297 ≤ A ≤ 307

    Energy Technology Data Exchange (ETDEWEB)

    Santhosh, K.P.; Nithya, C. [Kannur University, School of Pure and Applied Physics, Payyanur, Kerala (India)

    2016-12-15

    Decay modes of isotopes of the superheavy element Z = 123 within the range 297 ≤ A ≤ 307 have been studied by comparing the alpha decay half-lives with the spontaneous fission half-lives. Three different mass tables were used for the calculation of the alpha decay energy. A close study of alpha decay half-lives within the range 297 ≤ A ≤ 307 has been performed using the Coulomb and proximity potential model for deformed nuclei (CPPMDN). The alpha half-lives calculated using CPPMDN are in harmony with the values obtained by the Viola-Seaborg systematic, the universal curve of Poenaru et al., and the analytical formula of Royer. Spontaneous fission half-lives are evaluated using the new shell-effect-dependent formula proposed by Santhosh et al., and the semi-empirical formula of Xu et al. Through our study it is seen that the isotopes {sup 300-303}123 exhibit 8α chains and the isotopes {sup 304-307}123 exhibit 5α chains with half-lives in a measurable range. Clearly the isotopes of Z = 123 within the range 300 ≤ A ≤ 307 will decay through alpha emission followed by spontaneous fission and thus can be predicted as synthesized and detected in laboratory via alpha decay. Since the predictions on decay modes of isotopes of the superheavy element Z = 123 is done for the first time it is hoped that the study will open up new areas in experimental investigations. (orig.)

  4. Thermodynamic Properties of CO{sub 2} Capture Reaction by Solid Sorbents: Theoretical Predictions and Experimental Validations

    Energy Technology Data Exchange (ETDEWEB)

    Duan, Yuhua; Luebke, David; Pennline, Henry; Li, Liyu; King, David; Zhang,; Keling,; Zhao,; Lifeng,; Xiao, Yunhan

    2012-01-01

    It is generally accepted that current technologies for capturing CO{sub 2} are still too energy intensive. Hence, there is a critical need for development of new materials that can capture CO{sub 2} reversibly with acceptable energy costs. Accordingly, solid sorbents have been proposed to be used for CO{sub 2} capture applications through a reversible chemical transformation. By combining thermodynamic database mining with first principles density functional theory and phonon lattice dynamics calculations, a theoretical screening methodology to identify the most promising CO{sub 2} sorbent candidates from the vast array of possible solid materials has been proposed and validated. The calculated thermodynamic properties of different classes of solid materials versus temperature and pressure changes were further used to evaluate the equilibrium properties for the CO{sub 2} adsorption/desorption cycles. According to the requirements imposed by the pre- and post- combustion technologies and based on our calculated thermodynamic properties for the CO{sub 2} capture reactions by the solids of interest, we were able to screen only those solid materials for which lower capture energy costs are expected at the desired pressure and temperature conditions. These CO{sub 2} sorbent candidates were further considered for experimental validations. In this presentation, we first introduce our screening methodology with validating by solid dataset of alkali and alkaline metal oxides, hydroxides and bicarbonates which thermodynamic properties are available. Then, by studying a series of lithium silicates, we found that by increasing the Li{sub 2}O/SiO{sub 2} ratio in the lithium silicates their corresponding turnover temperatures for CO{sub 2} capture reactions can be increased. Compared to anhydrous K{sub 2}CO{sub 3}, the dehydrated K{sub 2}CO{sub 3}1.5H{sub 2}O can only be applied for post-combustion CO{sub 2} capture technology at temperatures lower than its phase transition (to

  5. Prediction of gas/particle partitioning of polybrominated diphenyl ethers (PBDEs) in global air: A theoretical study

    Science.gov (United States)

    Li, Y.-F.; Ma, W.-L.; Yang, M.

    2015-02-01

    Gas/particle (G/P) partitioning of semi-volatile organic compounds (SVOCs) is an important process that primarily governs their atmospheric fate, long-range atmospheric transport, and their routes of entering the human body. All previous studies on this issue are hypothetically based on equilibrium conditions, the results of which do not predict results from monitoring studies well in most cases. In this study, a steady-state model instead of an equilibrium-state model for the investigation of the G/P partitioning behavior of polybrominated diphenyl ethers (PBDEs) was established, and an equation for calculating the partition coefficients under steady state (KPS) of PBDEs (log KPS = log KPE + logα) was developed in which an equilibrium term (log KPE = log KOA + logfOM -11.91 where fOM is organic matter content of the particles) and a non-equilibrium term (log α, caused by dry and wet depositions of particles), both being functions of log KOA (octanol-air partition coefficient), are included. It was found that the equilibrium is a special case of steady state when the non-equilibrium term equals zero. A criterion to classify the equilibrium and non-equilibrium status of PBDEs was also established using two threshold values of log KOA, log KOA1, and log KOA2, which divide the range of log KOA into three domains: equilibrium, non-equilibrium, and maximum partition domain. Accordingly, two threshold values of temperature t, tTH1 when log KOA = log KOA1 and tTH2 when log KOA = log KOA2, were identified, which divide the range of temperature also into the same three domains for each PBDE congener. We predicted the existence of the maximum partition domain (the values of log KPS reach a maximum constant of -1.53) that every PBDE congener can reach when log KOA ≥ log KOA2, or t ≤ tTH2. The novel equation developed in this study was applied to predict the G/P partition coefficients of PBDEs for our Chinese persistent organic pollutants (POPs) Soil and Air Monitoring

  6. Rapid response predicts 12-month post-treatment outcomes in binge-eating disorder: theoretical and clinical implications

    Science.gov (United States)

    Grilo, C. M.; White, M. A.; Wilson, G. T.; Gueorguieva, R.; Masheb, R. M.

    2011-01-01

    Background We examined rapid response in obese patients with binge-eating disorder (BED) in a clinical trial testing cognitive behavioral therapy (CBT) and behavioral weight loss (BWL). Method Altogether, 90 participants were randomly assigned to CBT or BWL. Assessments were performed at baseline, throughout and post-treatment and at 6- and 12-month follow-ups. Rapid response, defined as ≥70% reduction in binge eating by week four, was determined by receiver operating characteristic curves and used to predict outcomes. Results Rapid response characterized 57% of participants (67% of CBT, 47% of BWL) and was unrelated to most baseline variables. Rapid response predicted greater improvements across outcomes but had different prognostic significance and distinct time courses for CBT versus BWL. Patients receiving CBT did comparably well regardless of rapid response in terms of reduced binge eating and eating disorder psychopathology but did not achieve weight loss. Among patients receiving BWL, those without rapid response failed to improve further. However, those with rapid response were significantly more likely to achieve binge-eating remission (62% v. 13%) and greater reductions in binge-eating frequency, eating disorder psychopathology and weight loss. Conclusions Rapid response to treatment in BED has prognostic significance through 12-month follow-up, provides evidence for treatment specificity and has clinical implications for stepped-care treatment models for BED. Rapid responders who receive BWL benefit in terms of both binge eating and short-term weight loss. Collectively, these findings suggest that BWL might be a candidate for initial intervention in stepped-care models with an evaluation of progress after 1 month to identify non-rapid responders who could be advised to consider a switch to a specialized treatment. PMID:21923964

  7. Theoretical Analyses of Superconductivity in Iron Based ...

    African Journals Online (AJOL)

    fire7-

    2Department of Physics, College of Science, Bahir Dar University, Bahir Dar, Ethiopia. 3Department of Physics, Addis Ababa University, Addis Ababa, ... Superconductivity is a remarkable macroscopic quantum phenomenon, which was discovered by. Onnes (1911) while investigating the electrical resistivity of mercury at ...

  8. 1989 Volvo Award in biomechanics. Mechanical recruitment of low-back muscles. Theoretical predictions and experimental validation.

    Science.gov (United States)

    Ladin, Z; Murthy, K R; De Luca, C J

    1989-09-01

    A biomechanical model for studying lumbar muscle load sharing for a class of physical tasks that involve gravitational loading (holding weights) of the upper body in an erect posture is presented. The model assumes that the lumbar muscles balance the externally applied flexion and lateral bending moments. The concept of a 'loading plane' whose axes are the two bending moments is introduced. Any point in the plane can be viewed as a 'loading-point' describing a combination of bending moments that are applied to the body. The study of lumbar-muscle load sharing revealed loading conditions that required activation or deactivation of a particular muscle. The loading plane thus could be divided into regions of activity and inactivity for each muscle, separated by a 'switching curve.' The concept of 'switching curves' proved very useful for examining previously described physiologic assumptions on the loading conditions of particular muscle groups, and for grouping the 22 muscles described in the model into ten functional units. Electromyographic validation studies were conducted and showed a high degree of correlation between the model predictions and actual measurements for the contralateral (with respect to the load) muscles and to a lesser degree of correlation for the ipsilateral muscles.

  9. All-theoretical prediction of cabin noise due to impingement of propeller vortices on a wing structure

    Science.gov (United States)

    Martinez, R.; Cole, J. E., III; Martini, K.; Westagard, A.

    1987-01-01

    Reported calculations of structure-borne cabin noise for a small twin engine aircraft powered by tractor propellers rely on the following three-stage methodological breakup of the problem: (1) the unsteady-aerodynamic prediction of wing lift harmonics caused by the whipping action of the vortex system trailed from each propeller; (2) the associated wing/fuselage structural response; (3) the cabin noise field for the computed wall vibration. The first part--the estimate of airloads--skirts a full-fledged aeroelastic situation by assuming the wing to be fixed in space while cancelling the downwash field of the cutting vortices. The model is based on an approximate high-frequency lifting-surface theory justified by the blade rate and flight Mach number of application. Its results drive a finite-element representation of the wing accounting for upper and lower skin surfaces, spars, ribs, and the presence of fuel. The fuselage, modeled as a frame-stiffened cylindrical shell, is bolted to the wing.

  10. Experimental analysis and theoretical predictions of the limit strains of a hot-dip galvanized interstitial-free steel sheet

    Directory of Open Access Journals (Sweden)

    Maria Carolina dos Santos Freitas

    2013-04-01

    Full Text Available In this work, the formability of a hot-dip galvanized interstitial-free (IF steel sheet was evaluated by means of uniaxial tensile and Forming Limit Curve (FLC tests. The FLC was defined using the flat-bottomed Marciniak's punch technique, where the strain analysis was made using a digital image correlation software. A plastic localization model was also proposed wherein the governing equations are solved with the help of the Newton's method. The investigated hot-dip galvanized IF steel sheet presented a very good formability level in the deep-drawing range consistent with the measured Lankford values. The predicted limit strains were found to be in good agreement with the experimental data of the hot-dip galvanized IF steel sheet owing to the definition of the localization model geometrical imperfection as a function of the experimental surface roughness evolution and, in particular, to the yield surface flattening near to the plane-strain stress state authorized by the adopted yield criterion.

  11. Laser cutting speeds for ceramic tile: a theoretical empirical comparison

    Science.gov (United States)

    Black, I.

    1998-03-01

    This paper presents a comparison of theoretically-predicted optimum cutting speeds for decorative ceramic tile with experimentally-derived data. Four well-established theoretical analyses are considered and applied to the laser cutting of ceramic tile, i.e. Rosenthal's moving point heat-source model and the heat balance approaches of Powell, Steen and Chryssolouris. The theoretical results are subsequently compared and contrasted with actual cutting data taken from an existing laser machining database. Empirical models developed by the author are described which have been successfully used to predict cutting speeds for various thicknesses of ceramic tile.

  12. A two-factor model for predicting when a couple will divorce: exploratory analyses using 14-year longitudinal data.

    Science.gov (United States)

    Gottman, John Mordechai; Levenson, Robert Wayne

    2002-01-01

    This article examines 14-year longitudinal data and attempts to create a post hoc model that uses Time-1 data to "predict" the length of time the marriage will last. The sample consists of the 21 couples (of 79 studied) who divorced over a 14-year period. A two-factor model is proposed. One factor is the amount of unregulated volatile positive and negative affect in the marriage, and this factor predicts a short marriage length for the divorcing couples. A second factor is called "neutral affective style," and this factor predicts a long marriage length for the divorcing couples. This model is compared to a Time-1 model of ailing marriage in which Time-1 marital satisfaction is used to predict the timing of divorce.

  13. Mass-loss Rates from Coronal Mass Ejections: A Predictive Theoretical Model for Solar-type Stars

    Science.gov (United States)

    Cranmer, Steven R.

    2017-05-01

    Coronal mass ejections (CMEs) are eruptive events that cause a solar-type star to shed mass and magnetic flux. CMEs tend to occur together with flares, radio storms, and bursts of energetic particles. On the Sun, CME-related mass loss is roughly an order of magnitude less intense than that of the background solar wind. However, on other types of stars, CMEs have been proposed to carry away much more mass and energy than the time-steady wind. Earlier papers have used observed correlations between solar CMEs and flare energies, in combination with stellar flare observations, to estimate stellar CME rates. This paper sidesteps flares and attempts to calibrate a more fundamental correlation between surface-averaged magnetic fluxes and CME properties. For the Sun, there exists a power-law relationship between the magnetic filling factor and the CME kinetic energy flux, and it is generalized for use on other stars. An example prediction of the time evolution of wind/CME mass-loss rates for a solar-mass star is given. A key result is that for ages younger than about 1 Gyr (i.e., activity levels only slightly higher than the present-day Sun), the CME mass loss exceeds that of the time-steady wind. At younger ages, CMEs carry 10-100 times more mass than the wind, and such high rates may be powerful enough to dispel circumstellar disks and affect the habitability of nearby planets. The cumulative CME mass lost by the young Sun may have been as much as 1% of a solar mass.

  14. An empirical/theoretical model with dimensionless numbers to predict the performance of electrodialysis systems on the basis of operating conditions.

    Science.gov (United States)

    Karimi, Leila; Ghassemi, Abbas

    2016-07-01

    Among the different technologies developed for desalination, the electrodialysis/electrodialysis reversal (ED/EDR) process is one of the most promising for treating brackish water with low salinity when there is high risk of scaling. Multiple researchers have investigated ED/EDR to optimize the process, determine the effects of operating parameters, and develop theoretical/empirical models. Previously published empirical/theoretical models have evaluated the effect of the hydraulic conditions of the ED/EDR on the limiting current density using dimensionless numbers. The reason for previous studies' emphasis on limiting current density is twofold: 1) to maximize ion removal, most ED/EDR systems are operated close to limiting current conditions if there is not a scaling potential in the concentrate chamber due to a high concentration of less-soluble salts; and 2) for modeling the ED/EDR system with dimensionless numbers, it is more accurate and convenient to use limiting current density, where the boundary layer's characteristics are known at constant electrical conditions. To improve knowledge of ED/EDR systems, ED/EDR models should be also developed for the Ohmic region, where operation reduces energy consumption, facilitates targeted ion removal, and prolongs membrane life compared to limiting current conditions. In this paper, theoretical/empirical models were developed for ED/EDR performance in a wide range of operating conditions. The presented ion removal and selectivity models were developed for the removal of monovalent ions and divalent ions utilizing the dominant dimensionless numbers obtained from laboratory scale electrodialysis experiments. At any system scale, these models can predict ED/EDR performance in terms of monovalent and divalent ion removal. Copyright © 2016 Elsevier Ltd. All rights reserved.

  15. Elastic anisotropy of layered rocks: Ultrasonic measurements of plagioclase-biotite-muscovite (sillimanite) gneiss versus texture-based theoretical predictions (effective media modeling)

    Science.gov (United States)

    Ivankina, T. I.; Zel, I. Yu.; Lokajicek, T.; Kern, H.; Lobanov, K. V.; Zharikov, A. V.

    2017-08-01

    In this paper we present experimental and theoretical studies on a highly anisotropic layered rock sample characterized by alternating layers of biotite and muscovite (retrogressed from sillimanite) and plagioclase and quartz, respectively. We applied two different experimental methods to determine seismic anisotropy at pressures up to 400 MPa: (1) measurement of P- and S-wave phase velocities on a cube in three foliation-related orthogonal directions and (2) measurement of P-wave group velocities on a sphere in 132 directions The combination of the spatial distribution of P-wave velocities on the sphere (converted to phase velocities) with S-wave velocities of three orthogonal structural directions on the cube made it possible to calculate the bulk elastic moduli of the anisotropic rock sample. On the basis of the crystallographic preferred orientations (CPOs) of major minerals obtained by time-of-flight neutron diffraction, effective media modeling was performed using different inclusion methods and averaging procedures. The implementation of a nonlinear approximation of the P-wave velocity-pressure relation was applied to estimate the mineral matrix properties and the orientation distribution of microcracks. Comparison of theoretical calculations of elastic properties of the mineral matrix with those derived from the nonlinear approximation showed discrepancies in elastic moduli and P-wave velocities of about 10%. The observed discrepancies between the effective media modeling and ultrasonic velocity data are a consequence of the inhomogeneous structure of the sample and inability to perform long-wave approximation. Furthermore, small differences between elastic moduli predicted by the different theoretical models, including specific fabric characteristics such as crystallographic texture, grain shape and layering were observed. It is shown that the bulk elastic anisotropy of the sample is basically controlled by the CPO of biotite and muscovite and their volume

  16. Theoretical technique for predicting the cumulative impact of iron and manganese oxidation in streams receiving discharge from coal mines

    Science.gov (United States)

    Bobay, Keith E.

    1986-01-01

    Two U.S. Geological Survey computer programs are modified and linked to predict the cumulative impact of iron and manganese oxidation in coal-mine discharge water on the dissolved chemical quality of a receiving stream. The coupled programs calculate the changes in dissolved iron, dissolved manganese, and dissolved oxygen concentrations; alkalinity; and, pH of surface water downstream from the point of discharge. First, the one-dimensional, stead-state stream, water quality program uses a dissolved oxygen model to calculate the changes in concentration of elements as a function of the chemical reaction rates and time-of-travel. Second, a program (PHREEQE) combining pH, reduction-oxidation potential, and equilibrium equations uses an aqueous-ion association model to determine the saturation indices and to calculate pH; it then mixes the discharge with a receiving stream. The kinetic processes of the first program dominate the system, whereas the equilibrium thermodynamics of the second define the limits of the reactions. A comprehensive test of the technique was not possible because a complete set of data was unavailable. However, the cumulative impact of representative discharges from several coal mines on stream quality in a small watershed in southwestern Indiana was simulated to illustrate the operation of the technique and to determine its sensitivity to changes in physical, chemical, and kinetic parameters. Mine discharges averaged 2 cu ft/sec, with a pH of 6.0, and concentrations of 7.0 mg/L dissolved iron, 4.0 mg/L dissolved manganese, and 8.08 mg/L dissolved oxygen. The receiving stream discharge was 2 cu ft/sec, with a pH of 7.0, and concentrations of 0.1 mg/L dissolved iron, 0.1 mg/L dissolved manganese, and 8.70 mg/L dissolved oxygen. Results of the simulations indicated the following cumulative impact on the receiving stream from five discharges as compared with the effect from one discharge: 0.30 unit decrease in pH, 1.82 mg/L increase in dissolved

  17. Improved prediction of peroxisomal PTS1 proteins from genome sequences based on experimental subcellular targeting analyses as exemplified for protein kinases from Arabidopsis.

    Science.gov (United States)

    Ma, Changle; Reumann, Sigrun

    2008-01-01

    Due to current experimental limitations in peroxisome proteome research, the identification of low-abundance regulatory proteins such as protein kinases largely relies on computational protein prediction. To test and improve the identification of regulatory proteins by such a prediction-based approach, the Arabidopsis genome was screened for genes that encode protein kinases with predicted type 1 or type 2 peroxisome targeting signals (PTS1 or PTS2). Upon transient expression in onion epidermal cells, the predicted PTS1 domains of four of the seven protein kinases re-directed the reporter protein, enhanced yellow green fluorescent (EYFP), to peroxisomes and were thus verified as functional PTS1 domains. The full-length fusions, however, remained cytosolic, suggesting that PTS1 exposure is induced by specific signals. To investigate why peroxisome targeting of three other kinases was incorrectly predicted and ultimately to improve the prediction algorithms, selected amino acid residues located upstream of PTS1 tripeptides were mutated and the effect on subcellular targeting of the reporter protein was analysed. Acidic residues in close proximity to major PTS1 tripeptides were demonstrated to inhibit protein targeting to plant peroxisomes even in the case of the prototypical PTS1 tripeptide SKL>, whereas basic residues function as essential auxiliary targeting elements in front of weak PTS1 tripeptides such as SHL>. The functional characterization of these inhibitory and essential enhancer-targeting elements allows their consideration in predictive algorithms to improve the prediction accuracy of PTS1 proteins from genome sequences.

  18. Teachers' Analyses of Classroom Video Predict Student Learning of Mathematics: Further Explorations of a Novel Measure of Teacher Knowledge

    Science.gov (United States)

    Kersting, Nicole B.; Givvin, Karen B.; Sotelo, Francisco L.; Stigler, James W.

    2010-01-01

    This study explores the relationship between teacher knowledge and student learning in the area of mathematics by developing and evaluating an innovative approach to assessing teacher knowledge. This approach is based on teachers' analyses of classroom video clips. Teachers watched 13 video clips of classroom instruction and then provided written…

  19. Within What Distance Does "Greenness" Best Predict Physical Health? A Systematic Review of Articles with GIS Buffer Analyses across the Lifespan.

    Science.gov (United States)

    Browning, Matthew; Lee, Kangjae

    2017-06-23

    Is the amount of "greenness" within a 250-m, 500-m, 1000-m or a 2000-m buffer surrounding a person's home a good predictor of their physical health? The evidence is inconclusive. We reviewed Web of Science articles that used geographic information system buffer analyses to identify trends between physical health, greenness, and distance within which greenness is measured. Our inclusion criteria were: (1) use of buffers to estimate residential greenness; (2) statistical analyses that calculated significance of the greenness-physical health relationship; and (3) peer-reviewed articles published in English between 2007 and 2017. To capture multiple findings from a single article, we selected our unit of inquiry as the analysis, not the article. Our final sample included 260 analyses in 47 articles. All aspects of the review were in accordance with PRISMA guidelines. Analyses were independently judged as more, less, or least likely to be biased based on the inclusion of objective health measures and income/education controls. We found evidence that larger buffer sizes, up to 2000 m, better predicted physical health than smaller ones. We recommend that future analyses use nested rather than overlapping buffers to evaluate to what extent greenness not immediately around a person's home (i.e., within 1000-2000 m) predicts physical health.

  20. Predicting the potential distribution of invasive exotic species using GIS and information-theoretic approaches: A case of ragweed (Ambrosia artemisiifolia L.) distribution in China

    Science.gov (United States)

    Hao, Chen; LiJun, Chen; Albright, Thomas P.

    2007-01-01

    Invasive exotic species pose a growing threat to the economy, public health, and ecological integrity of nations worldwide. Explaining and predicting the spatial distribution of invasive exotic species is of great importance to prevention and early warning efforts. We are investigating the potential distribution of invasive exotic species, the environmental factors that influence these distributions, and the ability to predict them using statistical and information-theoretic approaches. For some species, detailed presence/absence occurrence data are available, allowing the use of a variety of standard statistical techniques. However, for most species, absence data are not available. Presented with the challenge of developing a model based on presence-only information, we developed an improved logistic regression approach using Information Theory and Frequency Statistics to produce a relative suitability map. This paper generated a variety of distributions of ragweed (Ambrosia artemisiifolia L.) from logistic regression models applied to herbarium specimen location data and a suite of GIS layers including climatic, topographic, and land cover information. Our logistic regression model was based on Akaike's Information Criterion (AIC) from a suite of ecologically reasonable predictor variables. Based on the results we provided a new Frequency Statistical method to compartmentalize habitat-suitability in the native range. Finally, we used the model and the compartmentalized criterion developed in native ranges to "project" a potential distribution onto the exotic ranges to build habitat-suitability maps. ?? Science in China Press 2007.

  1. Analyse - technologies; Analyse - technologies

    Energy Technology Data Exchange (ETDEWEB)

    Roudil, D.; Chevalier, M.; Cormont, Ph.; Viala, F.; Kopp, Ch.; Peillet, O.; Chatroux, D.; Lausenaz, Y.; Villard, J.F.; Bruel, L.; Berhouet, F.; Chartier, F.; Aubert, M.; Blanchet, P.; Steiner, F.; Puech, M.H.; Bienvenu, Ph.; Noire, M.H.; Bouzon, C.; Schrive, L

    1999-07-01

    In this chapter of the DCC 1999 scientific report, the following theoretical studies are detailed: emulsions characterization by ultrasonics, high resolution wavelength meter, optimization methodology for diffractive and hybrid optic system, reliability for fast switches in power electronics, study of cesium isolation in irradiated fuels, chemical optodes based on evanescent wave absorption, radionuclides (Zirconium 93 and molybdenum 93) determination in irradiated fuels processing effluents, study of viscous liquid ultrafiltration using supercritical CO{sub 2} fluid. (A.L.B.)

  2. Theoretical Predictions for Pionium Searches

    OpenAIRE

    Sander, M.; Kuhrts, C.; von Geramb, H. V.

    1996-01-01

    Characteristic properties of pionium $A_{2\\pi}$ and associated low energy s--wave cross sections $\\sigma(\\pi^0\\pi^0\\to \\pi^0\\pi^0)$, $\\sigma(\\pi^+\\pi^-\\to\\pi^0\\pi^0)$ and $\\sigma(\\pi^0\\pi^0\\to \\pi^+\\pi^-)$ are investigated with a coupled channels potential model. Some experimental results and conclusions are to be reconsidered.

  3. Can the lifetime of the superheater tubes be predicted according to the fuel analyses? Assessment from field and laboratory data

    Energy Technology Data Exchange (ETDEWEB)

    Salmenoja, K. [Kvaerner Pulping Oy, Tampere (Finland)

    1998-12-31

    Lifetime of the superheaters in different power boilers is more or less still a mystery. This is especially true in firing biomass based fuels (biofuels), such as bark, forest residues, and straw. Due to the unhomogeneous nature of the biofuels, the lifetime of the superheaters may vary from case to case. Sometimes the lifetime is significantly shorter than originally expected, sometimes no corrosion even in the hottest tubes is observed. This is one of the main reasons why the boiler operators often demand for a better predictability on the corrosion resistance of the materials to avoid unscheduled shutdowns. (orig.) 9 refs.

  4. Basic Diagnosis and Prediction of Persistent Contrail Occurrence using High-resolution Numerical Weather Analyses/Forecasts and Logistic Regression. Part II: Evaluation of Sample Models

    Science.gov (United States)

    Duda, David P.; Minnis, Patrick

    2009-01-01

    Previous studies have shown that probabilistic forecasting may be a useful method for predicting persistent contrail formation. A probabilistic forecast to accurately predict contrail formation over the contiguous United States (CONUS) is created by using meteorological data based on hourly meteorological analyses from the Advanced Regional Prediction System (ARPS) and from the Rapid Update Cycle (RUC) as well as GOES water vapor channel measurements, combined with surface and satellite observations of contrails. Two groups of logistic models were created. The first group of models (SURFACE models) is based on surface-based contrail observations supplemented with satellite observations of contrail occurrence. The second group of models (OUTBREAK models) is derived from a selected subgroup of satellite-based observations of widespread persistent contrails. The mean accuracies for both the SURFACE and OUTBREAK models typically exceeded 75 percent when based on the RUC or ARPS analysis data, but decreased when the logistic models were derived from ARPS forecast data.

  5. Vigas mistas de madeira de reflorestamento e bambu laminado colado: análise teórica e experimental Composite beams of reforestation wood and glue-laminated bamboo: theoretical and experimental analyses

    Directory of Open Access Journals (Sweden)

    Humberto C. Lima Júnior

    2001-12-01

    Full Text Available Neste trabalho, apresenta-se e se discute a análise teórica e experimental de vigas de madeira, reforçadas com bambu. Para tanto, o comportamento mecânico de cinco vigas mistas e duas de madeira foi estudado. A parte interna das vigas mistas foi constituída de Pinus elliottii e o reforço de bambu Dendrocalamus giganteus; este reforço foi disposto tanto na parte inferior como na superior das vigas, além de analisadas diferentes espessuras de reforço. São apresentadas curvas carga vs. deslocamentos e carga vs. deformação. Observou-se aumento da ordem de 50% na rigidez das vigas de Pinus elliottii, quando da presença do reforço de bambu. Finalmente, um estudo numérico em que se utilizou o método dos elementos finitos é apresentado, observando-se boa correlação entre os valores numéricos e experimentais.This paper presents and discusses the experimental and theoretical analyses of layer composite beams of wood strengthened with bamboo. For this, the mechanical behavior of five composite beams and two wood beams was studied. The beam's stuffing was composed of Pinus elliottii and the reinforcement of bamboo Dendrocalamus giganteus. The bamboo reinforcement was placed on the top and at the bottom of the beams. Different thicknesses of reinforcement were investigated. Curves of load vs. displacement and load vs. strain are presented. An increase of 50% was observed in the stiffness, when the composite beams are compared with the wood one. Finally, a numerical study was carried out applying the finite element method and a good agreement was observed between the theoretical and experimental values.

  6. Towards A Theoretical Biology: Reminiscences

    Indian Academy of Sciences (India)

    cellular slime molds and interpreting them via theoretical analyses very much in the style of theoretical physics. Among them was V Nanjundiah who was a graduate student in physics. Thus while I cannot testify authoritatively as to the importance of the conferences for the development of theoretical biology generally, I can ...

  7. Synthesis, antimicrobial evaluation and theoretical prediction of NMR chemical shifts of thiazole and selenazole derivatives with high antifungal activity against Candida spp.

    Science.gov (United States)

    Łączkowski, Krzysztof Z.; Motylewska, Katarzyna; Baranowska-Łączkowska, Angelika; Biernasiuk, Anna; Misiura, Konrad; Malm, Anna; Fernández, Berta

    2016-03-01

    Synthesis and investigation of antimicrobial activities of novel thiazoles and selenazoles is presented. Their structures were determined using NMR, FAB(+)-MS, HRMS and elemental analyses. To support the experiment, theoretical calculations of the 1H NMR shifts were carried out for representative systems within the DFT B3LYP/6-311++G** approximation which additionally confirmed the structure of investigated compounds. Among the derivatives, compounds 4b, 4h, 4j and 4l had very strong activity against reference strains of Candida albicans ATCC and Candida parapsilosis ATCC 22019 with MIC = 0.49-7.81 μg/ml. In the case of compounds 4b, 4c, 4h - 4j and 4l, the activity was very strong against of Candida spp. isolated from clinical materials, i.e. C. albicans, Candida krusei, Candida inconspicua, Candida famata, Candida lusitaniae, Candida sake, C. parapsilosis and Candida dubliniensis with MIC = 0.24-15.62 μg/ml. The activity of several of these was similar to the activity of commonly used antifungal agent fluconazole. Additionally, compounds 4m - 4s were found to be active against Gram-positive bacteria, both pathogenic staphylococci Staphylococcus aureus ATCC with MIC = 31.25-125 μg/ml and opportunistic bacteria, such as Staphylococcus epidermidis ATCC 12228 and Micrococcus luteus ATCC 10240 with MIC = 7.81-31.25 μg/ml.

  8. Theoretical nuclear physics

    CERN Document Server

    Blatt, John M

    1979-01-01

    A classic work by two leading physicists and scientific educators endures as an uncommonly clear and cogent investigation and correlation of key aspects of theoretical nuclear physics. It is probably the most widely adopted book on the subject. The authors approach the subject as ""the theoretical concepts, methods, and considerations which have been devised in order to interpret the experimental material and to advance our ability to predict and control nuclear phenomena.""The present volume does not pretend to cover all aspects of theoretical nuclear physics. Its coverage is restricted to

  9. Using a theoretical predictive tool for the analysis of recent health department inspections at outbreak restaurants and relation of this information to foodborne illness likelihood.

    Science.gov (United States)

    Petran, Ruth L; White, Bruce W; Hedberg, Craig W

    2012-11-01

    Because U.S. restaurants are inspected at least annually against criteria in the U.S. Food and Drug Administration Model Food Code, large amounts of data are generated and should be systematically reviewed. The purpose of this study was to determine the relationships among the data obtained through health department inspections, the contributing factors to foodborne illness identified by the Centers for Disease Control and Prevention, and the risks of outbreaks of norovirus, Salmonella, and Clostridium perfringens infection associated with a specific restaurant. These agents were chosen for the analysis because they cause the majority of foodborne illnesses. A theoretical predictive assessment tool was built that extracts data from routine health department inspection reports for specific restaurants to establish a risk profile for each restaurant and identify the likelihood of a norovirus, Salmonella, or C. perfringens outbreak at that restaurant. The tool was used to examine inspection reports from restaurants known to have had confirmed norovirus, Salmonella, and C. perfringens outbreaks. Although evaluation of an extensive data set revealed lack of an overall association between outbreak inspection scores and routine inspection scores obtained at outbreak restaurant locations, certain specific violations were significantly more likely to be recorded. Significant differences in types of violations recorded during outbreak and routine inspections were determined. When risks based on violation type can be identified, targeted actions may be able to be prioritized and implemented to help decrease illnesses.

  10. Origins and predictions of stereoselective antibody catalysis: theoretical analysis of Diels-Alder catalysis by 39A11 and its germ-line antibody.

    Science.gov (United States)

    Zhang, Xiyun; Deng, Qiaolin; Yoo, Sandy H; Houk, K N

    2002-12-13

    The binding of enantiomeric haptens and transition states by the Schultz Diels-Alderase antibody 39A11 and its germ-line antibody were studied theoretically. The mechanisms by which one hapten and one transition state stereoisomer is recognized selectively are explored with docking simulations and quantum mechanical models. Transition states of the relevant Diels-Alder reaction were located with density functional theory. A prediction is made that the stereoselectivity of 39A11 will be achieved by two strategically placed hydrogen bonds and pi-stacking interactions of the maleimide with a binding-site tryptophan, arranged so as to coordinate one enantiomeric transition state. Binding of other ligands by antibody 39A11 and the germ-line antibody has also been investigated. The polyspecific nature of 39A11 and its germ-line precursor was found to originate from the general ability of the binding pockets to achieve hydrophobic binding of small organic substrates. Comparison of the highly homologous progesterone and Diels-Alderase antibodies (DB3, 1E9, and 39A11) highlights the fact that differences of several key residues in the binding pockets are sufficient to confer selectivity for different antigens.

  11. Landscaping analyses of the ROC predictions of discrete-slots and signal-detection models of visual working memory.

    Science.gov (United States)

    Donkin, Chris; Tran, Sophia Chi; Nosofsky, Robert

    2014-10-01

    A fundamental issue concerning visual working memory is whether its capacity limits are better characterized in terms of a limited number of discrete slots (DSs) or a limited amount of a shared continuous resource. Rouder et al. (2008) found that a mixed-attention, fixed-capacity, DS model provided the best explanation of behavior in a change detection task, outperforming alternative continuous signal detection theory (SDT) models. Here, we extend their analysis in two ways: first, with experiments aimed at better distinguishing between the predictions of the DS and SDT models, and second, using a model-based analysis technique called landscaping, in which the functional-form complexity of the models is taken into account. We find that the balance of evidence supports a DS account of behavior in change detection tasks but that the SDT model is best when the visual displays always consist of the same number of items. In our General Discussion section, we outline, but ultimately reject, a number of potential explanations for the observed pattern of results. We finish by describing future research that is needed to pinpoint the basis for this observed pattern of results.

  12. Does safety climate predict safety performance in Italy and the USA? Cross-cultural validation of a theoretical model of safety climate.

    Science.gov (United States)

    Barbaranelli, Claudio; Petitta, Laura; Probst, Tahira M

    2015-04-01

    Previous studies have acknowledged the relevance of assessing the measurement equivalence of safety related measures across different groups, and demonstrating whether the existence of disparities in safety perceptions might impair direct group comparisons. The Griffin and Neal (2000) model of safety climate, and the accompanying measure (Neal et al. [NGH], 2000), are both widely cited and utilized. Yet neither the model in its entirety nor the measure have been previously validated across different national contexts. The current study is the first to examine the NGH measurement equivalence by testing whether their model of safety climate predicting safety performance is tenable in both English speaking and non-English speaking countries. The study involved 616 employees from 21 organizations in the US, and 738 employees from 20 organizations in Italy. A multi-group confirmatory factor analytic approach was used to assess the equivalence of the measures across the two countries. Similarly, the structural model of relations among the NGH variables was examined in order to demonstrate its cross-country invariance. Results substantially support strict invariance across groups for the NGH safety scales. Moreover, the invariance across countries is also demonstrated for the effects of safety climate on safety knowledge and motivation, which in turn positively relate to both compliance and participation. Our findings have relevant theoretical implications by establishing measurement and relational equivalence of the NGH model. Practical implications are discussed for managers and practitioners dealing with multi-national organizational contexts. Future research should continue to investigate potential differences in safety related perceptions across additional non-English speaking countries. Copyright © 2015 Elsevier Ltd. All rights reserved.

  13. Theoretical study of the electronic structure of f-element complexes by quantum chemical methods; Analyse de la structure electronique des complexes contenant des elements F par des methodes de la chimie quantique

    Energy Technology Data Exchange (ETDEWEB)

    Vetere, V

    2002-09-15

    This thesis is related to comparative studies of the chemical properties of molecular complexes containing lanthanide or actinide trivalent cations, in the context of the nuclear waste disposal. More precisely, our aim was a quantum chemical analysis of the metal-ligand bonding in such species. Various theoretical approaches were compared, for the inclusion of correlation (density functional theory, multiconfigurational methods) and of relativistic effects (relativistic scalar and 2-component Hamiltonians, relativistic pseudopotentials). The performance of these methods were checked by comparing computed structural properties to published experimental data, on small model systems: lanthanide and actinide tri-halides and on X{sub 3}M-L species (X=F, Cl; M=La, Nd, U; L = NH{sub 3}, acetonitrile, CO). We have thus shown the good performance of density functionals combined with a quasi-relativistic method, as well as of gradient-corrected functionals associated with relativistic pseudopotentials. In contrast, functionals including some part of exact exchange are less reliable to reproduce experimental trends, and we have given a possible explanation for this result . Then, a detailed analysis of the bonding has allowed us to interpret the discrepancies observed in the structural properties of uranium and lanthanides complexes, based on a covalent contribution to the bonding, in the case of uranium(III), which does not exist in the lanthanide(III) homologues. Finally, we have examined more sizeable systems, closer to experimental species, to analyse the influence of the coordination number, of the counter-ions and of the oxidation state of uranium, on the metal-ligand bonding. (author)

  14. Theoretical prediction of the fundamental properties for the ternary Li{sub 2}PtH{sub 6} and Na{sub 2}PtH{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Ghebouli, M.A., E-mail: med.amineghebouli@yahoo.fr [Laboratory of materials and microelectronis systems (LMSE), University of Bachir Ibrahimi, Bordj-Bou-Arreridj 34000 (Algeria); Choutri, H. [Laboratory of materials and microelectronis systems (LMSE), University of Bachir Ibrahimi, Bordj-Bou-Arreridj 34000 (Algeria); Bouarissa, N. [Department of Physics, Faculty of Science, King Khalid University, Abha, PO Box 9004 (Saudi Arabia); Ghebouli, B. [Laboratory of Studies Surfaces and Interfaces of Solids Materials, Department of Physics, Faculty of Science, University Ferhat Abbas of Setif, Setif 19000 (Algeria); Bouhemadou, A. [Laboratory for Developing New Materials and their Characterization, Department of Physics, Faculty of Science, University Ferhat Abbas of Setif, 19000 Setif (Algeria); Department of Physics and Astronomy, College of Science, King Saud University, PO Box 2455, Riyadh 11451 (Saudi Arabia); Soyalp, F. [Yuzuncu Yil University, Faculty of Education, Department of Physics, Van 65080 (Turkey); Ucgun, E.; Ocak, H.Y. [Department of Physics, Faculty of Arts and Sciences, Dumlupinar University, Kutahya (Turkey)

    2012-12-15

    Li{sub 2}PtH{sub 6} and Na{sub 2}PtH{sub 6} are good candidate for hydrogen storage. The structural, elastic, electronic and optical properties of Li{sub 2}PtH{sub 6} and Na{sub 2}PtH{sub 6} compounds have been investigated using pseudo-potential plane-wave method based on the density functional theory. Computed lattice constant and H atom positional parameter at equilibrium agree well with the available experimental data. A quadratic pressure dependence of the elastic stiffness is found. A set of isotropic elastic parameters and related properties, namely bulk and shear moduli, Young's modulus, Poisson's ratio, average sound velocity and Debye temperature are numerically estimated in the framework of the Voigt-Reuss-Hill approximation for Li{sub 2}PtH{sub 6} and Na{sub 2}PtH{sub 6} polycrystalline aggregate. The analyses of the band structure indicates that Li{sub 2}PtH{sub 6} and Na{sub 2}PtH{sub 6} are indirect gap semiconductors. The static dielectric constant and static refractive index are inversely proportional to the fundamental gap. Highlights: Black-Right-Pointing-Pointer We predict elastic moduli, energy gaps and optical parameters. Black-Right-Pointing-Pointer Electron effective mass is anisotropic. Black-Right-Pointing-Pointer Li{sub 2}PtH{sub 6} and Na{sub 2}PtH{sub 6} are indirect gap semiconductors. Black-Right-Pointing-Pointer The contribution to the optical spectra from main transitions are predicted.

  15. Basic Diagnosis and Prediction of Persistent Contrail Occurrence using High-resolution Numerical Weather Analyses/Forecasts and Logistic Regression. Part I: Effects of Random Error

    Science.gov (United States)

    Duda, David P.; Minnis, Patrick

    2009-01-01

    Straightforward application of the Schmidt-Appleman contrail formation criteria to diagnose persistent contrail occurrence from numerical weather prediction data is hindered by significant bias errors in the upper tropospheric humidity. Logistic models of contrail occurrence have been proposed to overcome this problem, but basic questions remain about how random measurement error may affect their accuracy. A set of 5000 synthetic contrail observations is created to study the effects of random error in these probabilistic models. The simulated observations are based on distributions of temperature, humidity, and vertical velocity derived from Advanced Regional Prediction System (ARPS) weather analyses. The logistic models created from the simulated observations were evaluated using two common statistical measures of model accuracy, the percent correct (PC) and the Hanssen-Kuipers discriminant (HKD). To convert the probabilistic results of the logistic models into a dichotomous yes/no choice suitable for the statistical measures, two critical probability thresholds are considered. The HKD scores are higher when the climatological frequency of contrail occurrence is used as the critical threshold, while the PC scores are higher when the critical probability threshold is 0.5. For both thresholds, typical random errors in temperature, relative humidity, and vertical velocity are found to be small enough to allow for accurate logistic models of contrail occurrence. The accuracy of the models developed from synthetic data is over 85 percent for both the prediction of contrail occurrence and non-occurrence, although in practice, larger errors would be anticipated.

  16. Theoretical predictions of source rates for exospheric CO 2 on icy satellites of the outer planets due to sublimation of deep subsurface CO 2 ice

    Science.gov (United States)

    Wood, Stephen E.

    2016-10-01

    The abundances of CO2 observed in the exospheres of Callisto and, more recently, Rhea and Dione are difficult to explain. The previously proposed sources for the CO2 either have production rates well below the expected rates of escape/destruction or should produce other species (e.g. CO) that are not observed.We consider a potential source that has not been previously investigated - CO2 vapor originating from crustal CO2 ice and driven upward by the endogenic heat flux - and have developed a model to make quantitative estimates of the corresponding global subsurface vapor flux.Our model is based on previous theoretical work by Clifford (1993) and Mellon et al. (1997) for equatorial ground ice on Mars, who showed that in times or places where subsurface pore ice is undergoing long-term sublimation and diffusive loss, the ice table (the shallowest depth where any pore ice exists) will not continue to recede indefinitely. Beyond a certain, predictable depth, the linear diffusive profile of vapor density between the ice table and the surface will become supersaturated with respect to the local temperature and recondense as pore ice. This is true for any planetary body with a non-negligible interior heat source (e.g. radiogenic, tidal, etc) and is due to the fact that, while the ice temperature increases ~linearly with depth, the corresponding equilibrium vapor density increases exponentially.Once this occurs, a steady-state profile of ice volume fraction, f_ice(z), develops, with net mass loss only occurring from the retreating pore-filling ice layer. The rate of vapor flux to the surface is then determined only by the vapor density and temperature gradient at the ice table depth. We use a 1-D thermal model coupled with an analytic physical model for regolith thermal conductivity (including its depth- and T-dependence), to calculate the zonally-integrated global CO2 vapor flux corresponding to the range of expected heat flow values. Our preliminary results show

  17. Theoretical microfluidics

    DEFF Research Database (Denmark)

    Bruus, Henrik

    Microfluidics is a young and rapidly expanding scientific discipline, which deals with fluids and solutions in miniaturized systems, the so-called lab-on-a-chip systems. It has applications in chemical engineering, pharmaceutics, biotechnology and medicine. As the lab-on-a-chip systems grow...... in complexity, a proper theoretical understanding becomes increasingly important. The basic idea of the book is to provide a self-contained formulation of the theoretical framework of microfluidics, and at the same time give physical motivation and examples from lab-on-a-chip technology. After three chapters...... introducing microfluidics, the governing equations for mass, momentum and energy, and some basic flow solutions, the following 14 chapters treat hydraulic resistance/compliance, diffusion/dispersion, time-dependent flow, capillarity, electro- and magneto-hydrodynamics, thermal transport, two-phase flow...

  18. Theoretical Issues

    Energy Technology Data Exchange (ETDEWEB)

    Marc Vanderhaeghen

    2007-04-01

    The theoretical issues in the interpretation of the precision measurements of the nucleon-to-Delta transition by means of electromagnetic probes are highlighted. The results of these measurements are confronted with the state-of-the-art calculations based on chiral effective-field theories (EFT), lattice QCD, large-Nc relations, perturbative QCD, and QCD-inspired models. The link of the nucleon-to-Delta form factors to generalized parton distributions (GPDs) is also discussed.

  19. Computational fluid dynamics analyses of lateral heat conduction, coolant azimuthal mixing and heat transfer predictions in a BR2 fuel assembly geometry.

    Energy Technology Data Exchange (ETDEWEB)

    Tzanos, C. P.; Dionne, B. (Nuclear Engineering Division)

    2011-05-23

    To support the analyses related to the conversion of the BR2 core from highly-enriched (HEU) to low-enriched (LEU) fuel, the thermal-hydraulics codes PLTEMP and RELAP-3D are used to evaluate the safety margins during steady-state operation (PLTEMP), as well as after a loss-of-flow, loss-of-pressure, or a loss of coolant event (RELAP). In the 1-D PLTEMP and RELAP simulations, conduction in the azimuthal and axial directions is not accounted. The very good thermal conductivity of the cladding and the fuel meat and significant temperature gradients in the lateral directions (axial and azimuthal directions) could lead to a heat flux distribution that is significantly different than the power distribution. To evaluate the significance of the lateral heat conduction, 3-D computational fluid dynamics (CFD) simulations, using the CFD code STAR-CD, were performed. Safety margin calculations are typically performed for a hot stripe, i.e., an azimuthal region of the fuel plates/coolant channel containing the power peak. In a RELAP model, for example, a channel between two plates could be divided into a number of RELAP channels (stripes) in the azimuthal direction. In a PLTEMP model, the effect of azimuthal power peaking could be taken into account by using engineering factors. However, if the thermal mixing in the azimuthal direction of a coolant channel is significant, a stripping approach could be overly conservative by not taking into account this mixing. STAR-CD simulations were also performed to study the thermal mixing in the coolant. Section II of this document presents the results of the analyses of the lateral heat conduction and azimuthal thermal mixing in a coolant channel. Finally, PLTEMP and RELAP simulations rely on the use of correlations to determine heat transfer coefficients. Previous analyses showed that the Dittus-Boelter correlation gives significantly more conservative (lower) predictions than the correlations of Sieder-Tate and Petukhov. STAR-CD 3-D

  20. Prothrombin time is predictive of low plasma prothrombin concentration and clinical outcome in patients with trauma hemorrhage: analyses of prospective observational cohort studies.

    Science.gov (United States)

    Balendran, Clare A; Lövgren, Ann; Hansson, Kenny M; Nelander, Karin; Olsson, Marita; Johansson, Karin J; Brohi, Karim; Fries, Dietmar; Berggren, Anders

    2017-03-14

    Fibrinogen and prothrombin have been suggested to become rate limiting in trauma associated coagulopathy. Administration of fibrinogen is now recommended, however, the importance of prothrombin to patient outcome is unknown. We have utilized two trauma patient databases (database 1 n = 358 and database 2 n = 331) to investigate the relationship of plasma prothrombin concentration on clinical outcome and coagulation status. Database 1 has been used to assess the relationship of plasma prothrombin to administered packed red blood cells (PRBC), clinical outcome and coagulation biomarkers (Prothrombin Time (PT), ROTEM EXTEM Coagulation Time (CT) and Maximum Clot Firmness (MCF)). ROC analyses have been performed to investigate the ability of admission coagulation biomarkers to predict low prothrombin concentration (database 1), massive transfusion and 24 h mortality (database 1 and 2). The importance of prothrombin was further investigated in vitro by PT and ROTEM assays in the presence of a prothrombin neutralizing monoclonal antibody and following step-wise dilution. Patients who survived the first 24 h had higher admission prothrombin levels compared to those who died (94 vs.67 IU/dL). Patients with lower transfusion requirements within the first 24 h (≤10 units of PRBCs) also had higher admission prothrombin levels compared to patients with massive transfusion demands (>10 units of PRBCs) (95 vs.62 IU/dL). Admission PT, in comparison to admission ROTEM EXTEM CT and MCF, was found to be a better predictor of prothrombin concentration <60 IU/dL (AUC 0.94 in database 1), of massive transfusion (AUC 0.92 and 0.81 in database 1 and 2 respectively) and 24 h mortality (AUC 0.90 and 0.78 in database 1 and 2, respectively). In vitro experiments supported a critical role for prothrombin in coagulation and demonstrated that PT and ROTEM EXTEM CT are sensitive methods to measure low prothrombin concentration. Our analyses suggest that prothrombin concentration

  1. Theoretical physics

    CERN Document Server

    Joos, Georg

    1986-01-01

    Among the finest, most comprehensive treatments of theoretical physics ever written, this classic volume comprises a superb introduction to the main branches of the discipline and offers solid grounding for further research in a variety of fields. Students will find no better one-volume coverage of so many essential topics; moreover, since its first publication, the book has been substantially revised and updated with additional material on Bessel functions, spherical harmonics, superconductivity, elastomers, and other subjects.The first four chapters review mathematical topics needed by theo

  2. L'integration des savoirs theoriques a la pratique par l'analyse reflexive: Formation a la gestion de classe (The Integration of Theoretical Knowledge with the Practice of Reflective Analysis: Formation of Class Management).

    Science.gov (United States)

    Bourgeois, Noella

    1999-01-01

    Explores whether reflective analysis promotes integration of theoretical knowledge presented in a course on motivation, with the practice of classroom management during a practice teaching round. Analyzes narrative accounts of practice where subjects recorded observations and reflections of experiences. Results indicate the presence of principal…

  3. Genetically Predicted Body Mass Index and Breast Cancer Risk: Mendelian Randomization Analyses of Data from 145,000 Women of European Descent.

    Directory of Open Access Journals (Sweden)

    Yan Guo

    2016-08-01

    Full Text Available Observational epidemiological studies have shown that high body mass index (BMI is associated with a reduced risk of breast cancer in premenopausal women but an increased risk in postmenopausal women. It is unclear whether this association is mediated through shared genetic or environmental factors.We applied Mendelian randomization to evaluate the association between BMI and risk of breast cancer occurrence using data from two large breast cancer consortia. We created a weighted BMI genetic score comprising 84 BMI-associated genetic variants to predicted BMI. We evaluated genetically predicted BMI in association with breast cancer risk using individual-level data from the Breast Cancer Association Consortium (BCAC (cases  =  46,325, controls  =  42,482. We further evaluated the association between genetically predicted BMI and breast cancer risk using summary statistics from 16,003 cases and 41,335 controls from the Discovery, Biology, and Risk of Inherited Variants in Breast Cancer (DRIVE Project. Because most studies measured BMI after cancer diagnosis, we could not conduct a parallel analysis to adequately evaluate the association of measured BMI with breast cancer risk prospectively.In the BCAC data, genetically predicted BMI was found to be inversely associated with breast cancer risk (odds ratio [OR]  =  0.65 per 5 kg/m2 increase, 95% confidence interval [CI]: 0.56-0.75, p = 3.32 × 10-10. The associations were similar for both premenopausal (OR   =   0.44, 95% CI:0.31-0.62, p  =  9.91 × 10-8 and postmenopausal breast cancer (OR  =  0.57, 95% CI: 0.46-0.71, p  =  1.88 × 10-8. This association was replicated in the data from the DRIVE consortium (OR  =  0.72, 95% CI: 0.60-0.84, p   =   1.64 × 10-7. Single marker analyses identified 17 of the 84 BMI-associated single nucleotide polymorphisms (SNPs in association with breast cancer risk at p < 0.05; for 16 of them, the

  4. Genetically Predicted Body Mass Index and Breast Cancer Risk: Mendelian Randomization Analyses of Data from 145,000 Women of European Descent

    Science.gov (United States)

    Guo, Yan; Warren Andersen, Shaneda; Shu, Xiao-Ou; Michailidou, Kyriaki; Bolla, Manjeet K.; Wang, Qin; Garcia-Closas, Montserrat; Milne, Roger L.; Schmidt, Marjanka K.; Chang-Claude, Jenny; Dunning, Allison; Bojesen, Stig E.; Ahsan, Habibul; Aittomäki, Kristiina; Andrulis, Irene L.; Anton-Culver, Hoda; Beckmann, Matthias W.; Beeghly-Fadiel, Alicia; Benitez, Javier; Bogdanova, Natalia V.; Bonanni, Bernardo; Børresen-Dale, Anne-Lise; Brand, Judith; Brauch, Hiltrud; Brenner, Hermann; Brüning, Thomas; Burwinkel, Barbara; Casey, Graham; Chenevix-Trench, Georgia; Couch, Fergus J.; Cross, Simon S.; Czene, Kamila; Dörk, Thilo; Dumont, Martine; Fasching, Peter A.; Figueroa, Jonine; Flesch-Janys, Dieter; Fletcher, Olivia; Flyger, Henrik; Fostira, Florentia; Gammon, Marilie; Giles, Graham G.; Guénel, Pascal; Haiman, Christopher A.; Hamann, Ute; Hooning, Maartje J.; Hopper, John L.; Jakubowska, Anna; Jasmine, Farzana; Jenkins, Mark; John, Esther M.; Johnson, Nichola; Jones, Michael E.; Kabisch, Maria; Knight, Julia A.; Koppert, Linetta B.; Kosma, Veli-Matti; Kristensen, Vessela; Le Marchand, Loic; Lee, Eunjung; Li, Jingmei; Lindblom, Annika; Lubinski, Jan; Malone, Kathi E.; Mannermaa, Arto; Margolin, Sara; McLean, Catriona; Meindl, Alfons; Neuhausen, Susan L.; Nevanlinna, Heli; Neven, Patrick; Olson, Janet E.; Perez, Jose I. A.; Perkins, Barbara; Phillips, Kelly-Anne; Pylkäs, Katri; Rudolph, Anja; Santella, Regina; Sawyer, Elinor J.; Schmutzler, Rita K.; Seynaeve, Caroline; Shah, Mitul; Shrubsole, Martha J.; Southey, Melissa C.; Swerdlow, Anthony J.; Toland, Amanda E.; Tomlinson, Ian; Torres, Diana; Truong, Thérèse; Ursin, Giske; Van Der Luijt, Rob B.; Verhoef, Senno; Whittemore, Alice S.; Winqvist, Robert; Zhao, Hui; Zhao, Shilin; Hall, Per; Simard, Jacques; Kraft, Peter; Hunter, David; Easton, Douglas F.; Zheng, Wei

    2016-01-01

    Background Observational epidemiological studies have shown that high body mass index (BMI) is associated with a reduced risk of breast cancer in premenopausal women but an increased risk in postmenopausal women. It is unclear whether this association is mediated through shared genetic or environmental factors. Methods We applied Mendelian randomization to evaluate the association between BMI and risk of breast cancer occurrence using data from two large breast cancer consortia. We created a weighted BMI genetic score comprising 84 BMI-associated genetic variants to predicted BMI. We evaluated genetically predicted BMI in association with breast cancer risk using individual-level data from the Breast Cancer Association Consortium (BCAC) (cases  =  46,325, controls  =  42,482). We further evaluated the association between genetically predicted BMI and breast cancer risk using summary statistics from 16,003 cases and 41,335 controls from the Discovery, Biology, and Risk of Inherited Variants in Breast Cancer (DRIVE) Project. Because most studies measured BMI after cancer diagnosis, we could not conduct a parallel analysis to adequately evaluate the association of measured BMI with breast cancer risk prospectively. Results In the BCAC data, genetically predicted BMI was found to be inversely associated with breast cancer risk (odds ratio [OR]  =  0.65 per 5 kg/m2 increase, 95% confidence interval [CI]: 0.56–0.75, p = 3.32 × 10−10). The associations were similar for both premenopausal (OR   =   0.44, 95% CI:0.31–0.62, p  =  9.91 × 10−8) and postmenopausal breast cancer (OR  =  0.57, 95% CI: 0.46–0.71, p  =  1.88 × 10−8). This association was replicated in the data from the DRIVE consortium (OR  =  0.72, 95% CI: 0.60–0.84, p   =   1.64 × 10−7). Single marker analyses identified 17 of the 84 BMI-associated single nucleotide polymorphisms (SNPs) in association with breast cancer risk at p

  5. Silicene: Recent theoretical advances

    KAUST Repository

    Lew Yan Voon, L. C.

    2016-04-14

    Silicene is a two-dimensional allotrope of silicon with a puckered hexagonal structure closely related to the structure of graphene and that has been predicted to be stable. To date, it has been successfully grown in solution (functionalized) and on substrates. The goal of this review is to provide a summary of recent theoretical advances in the properties of both free-standing silicene as well as in interaction with molecules and substrates, and of proposed device applications.

  6. Cost-Benefit Analyses of Transportation Investments

    DEFF Research Database (Denmark)

    Næss, Petter

    2006-01-01

    This paper discusses the practice of cost-benefit analyses of transportation infrastructure investment projects from the meta-theoretical perspective of critical realism. Such analyses are based on a number of untenable ontological assumptions about social value, human nature and the natural...... environment. In addition, main input data are based on transport modelling analyses based on a misleading `local ontology' among the model makers. The ontological misconceptions translate into erroneous epistemological assumptions about the possibility of precise predictions and the validity of willingness......-to-pay investigations. Accepting the ontological and epistemological assumptions of cost-benefit analysis involves an implicit acceptance of the ethical and political values favoured by these assumptions. Cost-benefit analyses of transportation investment projects tend to neglect long-term environmental consequences...

  7. Copper subtype of Alzheimer's disease (AD): meta-analyses, genetic studies and predictive value of non-ceruloplasmim copper in mild cognitive impairment conversion to full AD.

    Science.gov (United States)

    Squitti, Rosanna

    2014-10-01

    Alzheimer's disease (AD) is the most common form of dementia. A myriad of complex factors contribute to AD, promoting the deposition in plaques of amyloid-beta (Aβ), which is the main constituent of this pathognomonic sign of AD at autopsy brain inspection. Aβ toxicity is related to oxidative stress, which results in synaptic loss in specific brain areas, eventually leading to cognitive decline. Metal, and especially copper, dyshomeostasis is a key factor in these processes. Recent studies have demonstrated that the serum fraction of copper that is not bound to ceruloplasmin (Non-Cp copper, also known as 'free' or labile copper) increases in a percentage of AD patients and mild cognitive impairment (MCI) subjects; this is considered a precursor of AD. Non-Cp copper is the exchangeable fraction of low molecular weight copper in serum. It is distinguished from the copper structurally bound to the ceruloplasmin protein, a master protein of iron metabolism. Non-Cp copper levels are higher than normal reference values (range 0-1.6μmol/L) in about 50% of amnestic MCI subjects and 60% of AD patients, typifying them in a subset of AD. Meta-analyses, genetic studies and a prognostic study evaluating the predictive value of Non-Cp copper in MCI conversion to full AD demonstrate the existence of this copper phenotype of AD. Copyright © 2014 Elsevier GmbH. All rights reserved.

  8. Phylogenetic and genomewide analyses suggest a functional relationship between kayak, the Drosophila fos homolog, and fig, a predicted protein phosphatase 2c nested within a kayak intron.

    Science.gov (United States)

    Hudson, Stephanie G; Garrett, Matthew J; Carlson, Joseph W; Micklem, Gos; Celniker, Susan E; Goldstein, Elliott S; Newfeld, Stuart J

    2007-11-01

    A gene located within the intron of a larger gene is an uncommon arrangement in any species. Few of these nested gene arrangements have been explored from an evolutionary perspective. Here we report a phylogenetic analysis of kayak (kay) and fos intron gene (fig), a divergently transcribed gene located in a kay intron, utilizing 12 Drosophila species. The evolutionary relationship between these genes is of interest because kay is the homolog of the proto-oncogene c-fos whose function is modulated by serine/threonine phosphorylation and fig is a predicted PP2C phosphatase specific for serine/threonine residues. We found that, despite an extraordinary level of diversification in the intron-exon structure of kay (11 inversions and six independent exon losses), the nested arrangement of kay and fig is conserved in all species. A genomewide analysis of protein-coding nested gene pairs revealed that approximately 20% of nested pairs in D. melanogaster are also nested in D. pseudoobscura and D. virilis. A phylogenetic examination of fig revealed that there are three subfamilies of PP2C phosphatases in all 12 species of Drosophila. Overall, our phylogenetic and genomewide analyses suggest that the nested arrangement of kay and fig may be due to a functional relationship between them.

  9. Theoretical Physics 1. Theoretical Mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Dreizler, Reiner M.; Luedde, Cora S. [Frankfurt Univ. (Germany). Inst. fuer Theoretische Physik

    2010-07-01

    After an introduction to basic concepts of mechanics more advanced topics build the major part of this book. Interspersed is a discussion of selected problems of motion. This is followed by a concise treatment of the Lagrangian and the Hamiltonian formulation of mechanics, as well as a brief excursion on chaotic motion. The last chapter deals with applications of the Lagrangian formulation to specific systems (coupled oscillators, rotating coordinate systems, rigid bodies). The level of this textbook is advanced undergraduate. The authors combine teaching experience of more than 40 years in all fields of Theoretical Physics and related mathematical disciplines and thorough knowledge in creating advanced eLearning content. The text is accompanied by an extensive collection of online material, in which the possibilities of the electronic medium are fully exploited, e.g. in the form of applets, 2D- and 3D-animations. (orig.)

  10. Realistic bandwidth estimation in the theoretically predicted radionuclide inventory of PWR-UO2 spent fuel derived from reactor design and operating data

    Energy Technology Data Exchange (ETDEWEB)

    Fast, Ivan

    2017-06-01

    declared for compacted metallic waste residual from the reprocessing of spent fuel assemblies. In Germany, the radionuclide declaration list for the disposal of used fuel assemblies is not yet specified. An estimation of the average radionuclide composition of the burnt-up fuel including the realistic inventory bandwidths for each of relevant radionuclides would be highly desirable beforehand. This information is needed for the development of proof tools for the product quality control or safeguards, but also for the evaluation of various safety scenarios regarding the radionuclide mobility or contamination. This work is focused on the development of a method for the determination of realistic radionuclide bandwidths in cases when no information of reactor design and operating data is available. Reactor parameters are classes as Primary Reactor Parameters of burn-up (BU) and cooling time (CT) that are considered to be known, and so-called Secondary Reactor Parameters (SRPs) that include nine parameters that are analysed: initial enrichment (IE), fuel density (FD), fuel temperature (FT), specific power (SP), downtime (DT), irradiation time (IT), moderator density (MD), moderator temperature (MT) and boric acid concentration (BA) used in the water for reactor control. The modelling of radionuclide inventories is carried out with the burn-up code SCALE 6.1 using the nuclear data library ENDF/B-VII.0. The input data include geometry of the fuel assembly and a set of the associated SRP values. The magnitude of the bandwidth significantly varies for different radionuclides and depends strongly on the primary parameters of burn-up and cooling time. The theoretical bandwidths are validated with experimental data. For this purpose the destructive radiochemical assay (RCA) data are taken from the Spent Fuel Isotopic Composition Database (SFCOMPO), which is maintained by the OECD Nuclear Energy Agency. There is, however, presently insufficient experimental data to validate the

  11. A theoretical perspective on road safety communication campaigns.

    Science.gov (United States)

    Elvik, Rune

    2016-12-01

    This paper proposes a theoretical perspective on road safety communication campaigns, which may help in identifying the conditions under which such campaigns can be effective. The paper proposes that, from a theoretical point of view, it is reasonable to assume that road user behaviour is, by and large, subjectively rational. This means that road users are assumed to behave the way they think is best. If this assumption is accepted, the best theoretical prediction is that road safety campaigns consisting of persuasive messages only will have no effect on road user behaviour and accordingly no effect on accidents. This theoretical prediction is not supported by meta-analyses of studies that have evaluated the effects of road safety communication campaigns. These analyses conclude that, on the average, such campaigns are associated with an accident reduction. The paper discusses whether this finding can be explained theoretically. The discussion relies on the distinction made by many modern theorists between bounded and perfect rationality. Road user behaviour is characterised by bounded rationality. Hence, if road users can gain insight into the bounds of their rationality, so that they see advantages to themselves of changing behaviour, they are likely to do so. It is, however, largely unknown whether such a mechanism explains why some road safety communication campaigns have been found to be more effective than others. Copyright © 2015 Elsevier Ltd. All rights reserved.

  12. The Determination of Predictive Construct of Physical Behavior Change on Osteoporosis Prevention Women Aged 30-50: A Trans-Theoretical Method Study

    National Research Council Canada - National Science Library

    Malekshahi, Farideh; Hidarnia, Alirezad; Niknami, Shamseddin; Aminshokravi, Frakhondeh

    2016-01-01

    .... Behavior change is one of the most powerful strategies to prevent osteoporosis. This study aimed to determine the predictive construct of physical preventive behavior of osteoporosis in women aged 30-50 in Khorramabad, west of Iran...

  13. Theoretical Mechanics Theoretical Physics 1

    CERN Document Server

    Dreizler, Reiner M

    2011-01-01

    After an introduction to basic concepts of mechanics more advanced topics build the major part of this book. Interspersed is a discussion of selected problems of motion. This is followed by a concise treatment of the Lagrangian and the Hamiltonian formulation of mechanics, as well as a brief excursion on chaotic motion. The last chapter deals with applications of the Lagrangian formulation to specific systems (coupled oscillators, rotating coordinate systems, rigid bodies). The level of this textbook is advanced undergraduate. The authors combine teaching experience of more than 40 years in all fields of Theoretical Physics and related mathematical disciplines and thorough knowledge in creating advanced eLearning content. The text is accompanied by an extensive collection of online material, in which the possibilities of the electronic medium are fully exploited, e.g. in the form of applets, 2D- and 3D-animations. - A collection of 74 problems with detailed step-by-step guidance towards the solutions. - A col...

  14. Predicting origins of passerines migrating through Canadian migration monitoring stations using stable-hydrogen isotope analyses of feathers: a new tool for bird conservation

    Directory of Open Access Journals (Sweden)

    Keith A. Hobson

    2015-06-01

    Full Text Available The Canadian Migration Monitoring Network (CMMN consists of standardized observation and migration count stations located largely along Canada's southern border. A major purpose of CMMN is to detect population trends of migratory passerines that breed primarily in the boreal forest and are otherwise poorly monitored by the North American Breeding Bird Survey (BBS. A primary limitation of this approach to monitoring is that it is currently not clear which geographic regions of the boreal forest are represented by the trends generated for each bird species at each station or group of stations. Such information on "catchment areas" for CMMN will greatly enhance their value in contributing to understanding causes of population trends, as well as facilitating joint trend analysis for stations with similar catchments. It is now well established that naturally occurring concentrations of deuterium in feathers grown in North America can provide information on their approximate geographic origins, especially latitude. We used stable hydrogen isotope analyses of feathers (δ²Hf from 15 species intercepted at 22 CMMN stations to assign approximate origins to populations moving through stations or groups of stations. We further constrained the potential catchment areas using prior information on potential longitudinal origins based upon bird migration trajectories predicted from band recovery data and known breeding distributions. We detected several cases of differences in catchment area of species passing through sites, and between seasons within species. We discuss the importance of our findings, and future directions for using this approach to assist conservation of migratory birds at continental scales.

  15. Classification of protein fold classes by knot theory and prediction of folds by neural networks: A combined theoretical and experimental approach

    DEFF Research Database (Denmark)

    Ramnarayan, K.; Bohr, Henrik; Jalkanen, Karl J.

    2008-01-01

    classifications, we utilize standard neural network methods for predicting protein fold classes from amino acid sequences. We also make an analysis of the redundancy of the structural classifications in relation to function and ligand binding. Finally we advocate the use of combining the measurement of the VA......We present different means of classifying protein structure. One is made rigorous by mathematical knot invariants that coincide reasonably well with ordinary graphical fold classification and another classification is by packing analysis. Furthermore when constructing our mathematical fold......, VCD, Raman, ROA, EA and ECD spectra with the primary sequence as a way to improve both the accuracy and reliability of fold class prediction schemes....

  16. Experimental (FT-IR, NMR and UV) and theoretical (M06-2X and DFT) investigation, and frequency estimation analyses on (E)-3-(4-bromo-5-methylthiophen-2-yl)acrylonitrile.

    Science.gov (United States)

    Sert, Yusuf; Balakit, Asim A; Öztürk, Nuri; Ucun, Fatih; El-Hiti, Gamal A

    2014-10-15

    The spectroscopic properties of (E)-3-(4-bromo-5-methylthiophen-2-yl)acrylonitrile have been investigated by FT-IR, UV, (1)H and (13)C NMR techniques. The theoretical vibrational frequencies and optimized geometric parameters (bond lengths and angles) have been calculated using density functional theory (DFT/B3LYP: Becke, 3-parameter, Lee-Yang-Parr) and DFT/M06-2X (the highly parameterized, empirical exchange correlation function) quantum chemical methods with 6-311++G(d,p) basis set by Gaussian 03 software, for the first time. The assignments of the vibrational frequencies have been carried out by potential energy distribution (PED) analysis by using VEDA 4 software. The theoretical optimized geometric parameters and vibrational frequencies were in good agreement with the corresponding experimental data, and with the results in the literature. (1)H and (13)C NMR chemical shifts were calculated by using the gauge-invariant atomic orbital (GIAO) method. The electronic properties, such as excitation energies, oscillator strength wavelengths were performed by B3LYP methods. In addition, the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) energies and the other related molecular energy values have been calculated and depicted. Copyright © 2014 Elsevier B.V. All rights reserved.

  17. Development of temporal modelling for forecasting and prediction of malaria infections using time-series and ARIMAX analyses: a case study in endemic districts of Bhutan.

    Science.gov (United States)

    Wangdi, Kinley; Singhasivanon, Pratap; Silawan, Tassanee; Lawpoolsri, Saranath; White, Nicholas J; Kaewkungwal, Jaranit

    2010-09-03

    Malaria still remains a public health problem in some districts of Bhutan despite marked reduction of cases in last few years. To strengthen the country's prevention and control measures, this study was carried out to develop forecasting and prediction models of malaria incidence in the endemic districts of Bhutan using time series and ARIMAX. This study was carried out retrospectively using the monthly reported malaria cases from the health centres to Vector-borne Disease Control Programme (VDCP) and the meteorological data from Meteorological Unit, Department of Energy, Ministry of Economic Affairs. Time series analysis was performed on monthly malaria cases, from 1994 to 2008, in seven malaria endemic districts. The time series models derived from a multiplicative seasonal autoregressive integrated moving average (ARIMA) was deployed to identify the best model using data from 1994 to 2006. The best-fit model was selected for each individual district and for the overall endemic area was developed and the monthly cases from January to December 2009 and 2010 were forecasted. In developing the prediction model, the monthly reported malaria cases and the meteorological factors from 1996 to 2008 of the seven districts were analysed. The method of ARIMAX modelling was employed to determine predictors of malaria of the subsequent month. It was found that the ARIMA (p, d, q) (P, D, Q)s model (p and P representing the auto regressive and seasonal autoregressive; d and D representing the non-seasonal differences and seasonal differencing; and q and Q the moving average parameters and seasonal moving average parameters, respectively and s representing the length of the seasonal period) for the overall endemic districts was (2,1,1)(0,1,1)12; the modelling data from each district revealed two most common ARIMA models including (2,1,1)(0,1,1)12 and (1,1,1)(0,1,1)12. The forecasted monthly malaria cases from January to December 2009 and 2010 varied from 15 to 82 cases in 2009

  18. Development of temporal modelling for forecasting and prediction of malaria infections using time-series and ARIMAX analyses: A case study in endemic districts of Bhutan

    Directory of Open Access Journals (Sweden)

    Wangdi Kinley

    2010-09-01

    Full Text Available Abstract Background Malaria still remains a public health problem in some districts of Bhutan despite marked reduction of cases in last few years. To strengthen the country's prevention and control measures, this study was carried out to develop forecasting and prediction models of malaria incidence in the endemic districts of Bhutan using time series and ARIMAX. Methods This study was carried out retrospectively using the monthly reported malaria cases from the health centres to Vector-borne Disease Control Programme (VDCP and the meteorological data from Meteorological Unit, Department of Energy, Ministry of Economic Affairs. Time series analysis was performed on monthly malaria cases, from 1994 to 2008, in seven malaria endemic districts. The time series models derived from a multiplicative seasonal autoregressive integrated moving average (ARIMA was deployed to identify the best model using data from 1994 to 2006. The best-fit model was selected for each individual district and for the overall endemic area was developed and the monthly cases from January to December 2009 and 2010 were forecasted. In developing the prediction model, the monthly reported malaria cases and the meteorological factors from 1996 to 2008 of the seven districts were analysed. The method of ARIMAX modelling was employed to determine predictors of malaria of the subsequent month. Results It was found that the ARIMA (p, d, q (P, D, Qs model (p and P representing the auto regressive and seasonal autoregressive; d and D representing the non-seasonal differences and seasonal differencing; and q and Q the moving average parameters and seasonal moving average parameters, respectively and s representing the length of the seasonal period for the overall endemic districts was (2,1,1(0,1,112; the modelling data from each district revealed two most common ARIMA models including (2,1,1(0,1,112 and (1,1,1(0,1,112. The forecasted monthly malaria cases from January to December 2009

  19. Theoretical prediction of the effect of heat transfer parameters on cooling rates of liquid-filled plastic straws used for cryopreservation of spermatozoa.

    Science.gov (United States)

    Sansinen, M; Santos, M V; Zaritzky, N; Baez, R; Chirife, J

    2010-01-01

    Heat transfer plays a key role in cryopreservation of liquid semen in plastic straws. The effect of several parameters on the cooling rate of a liquid-filled polypropylene straw when plunged into liquid nitrogen was investigated using a theoretical model. The geometry of the straw containing the liquid was assimilated as two concentric finite cylinders of different materials: the fluid and the straw; the unsteady-state heat conduction equation for concentric cylinders was numerically solved. Parameters studied include external (convection) heat transfer coefficient (h), the thermal properties of straw manufacturing material and wall thickness. It was concluded that the single most important parameter affecting the cooling rate of a liquid column contained in a straw is the external heat transfer coefficient in LN2. Consequently, in order to attain maximum cooling rates, conditions have to be designed to obtain the highest possible heat transfer coefficient when the plastic straw is plunged in liquid nitrogen.

  20. Prediction

    CERN Document Server

    Sornette, Didier

    2010-01-01

    This chapter first presents a rather personal view of some different aspects of predictability, going in crescendo from simple linear systems to high-dimensional nonlinear systems with stochastic forcing, which exhibit emergent properties such as phase transitions and regime shifts. Then, a detailed correspondence between the phenomenology of earthquakes, financial crashes and epileptic seizures is offered. The presented statistical evidence provides the substance of a general phase diagram for understanding the many facets of the spatio-temporal organization of these systems. A key insight is to organize the evidence and mechanisms in terms of two summarizing measures: (i) amplitude of disorder or heterogeneity in the system and (ii) level of coupling or interaction strength among the system's components. On the basis of the recently identified remarkable correspondence between earthquakes and seizures, we present detailed information on a class of stochastic point processes that has been found to be particu...

  1. A Maximum Muscle Strength Prediction Formula Using Theoretical Grade 3 Muscle Strength Value in Daniels et al.’s Manual Muscle Test, in Consideration of Age: An Investigation of Hip and Knee Joint Flexion and Extension

    Directory of Open Access Journals (Sweden)

    Hideyuki Usa

    2017-01-01

    Full Text Available This study attempted to develop a formula for predicting maximum muscle strength value for young, middle-aged, and elderly adults using theoretical Grade 3 muscle strength value (moment fair: Mf—the static muscular moment to support a limb segment against gravity—from the manual muscle test by Daniels et al. A total of 130 healthy Japanese individuals divided by age group performed isometric muscle contractions at maximum effort for various movements of hip joint flexion and extension and knee joint flexion and extension, and the accompanying resisting force was measured and maximum muscle strength value (moment max, Mm was calculated. Body weight and limb segment length (thigh and lower leg length were measured, and Mf was calculated using anthropometric measures and theoretical calculation. There was a linear correlation between Mf and Mm in each of the four movement types in all groups, excepting knee flexion in elderly. However, the formula for predicting maximum muscle strength was not sufficiently compatible in middle-aged and elderly adults, suggesting that the formula obtained in this study is applicable in young adults only.

  2. Shape of the self-concept clarity change during group psychotherapy predicts the outcome: an empirical validation of the theoretical model of the self-concept change

    Science.gov (United States)

    Styła, Rafał

    2015-01-01

    Background: Self-Concept Clarity (SCC) describes the extent to which the schemas of the self are internally integrated, well defined, and temporally stable. This article presents a theoretical model that describes how different shapes of SCC change (especially stable increase and “V” shape) observed in the course of psychotherapy are related to the therapy outcome. Linking the concept of Jean Piaget and the dynamic systems theory, the study postulates that a stable SCC increase is needed for the participants with a rather healthy personality structure, while SCC change characterized by a “V” shape or fluctuations is optimal for more disturbed patients. Method: Correlational study in a naturalistic setting with repeated measurements (M = 5.8) was conducted on the sample of 85 patients diagnosed with neurosis and personality disorders receiving intensive eclectic group psychotherapy under routine inpatient conditions. Participants filled in the Self-Concept Clarity Scale (SCCS), Symptoms' Questionnaire KS-II, and Neurotic Personality Questionnaire KON-2006 at the beginning and at the end of the course of psychotherapy. The SCCS was also administered every 2 weeks during psychotherapy. Results: As hypothesized, among the relatively healthiest group of patients the stable SCC increase was related to positive treatment outcome, while more disturbed patients benefited from the fluctuations and “V” shape of SCC change. Conclusions: The findings support the idea that for different personality dispositions either a monotonic increase or transient destabilization of SCC is a sign of a good treatment prognosis. PMID:26579001

  3. Shape of the self-concept clarity change during group psychotherapy predicts the outcome: an empirical validation of the theoretical model of the self-concept change.

    Science.gov (United States)

    Styła, Rafał

    2015-01-01

    Self-Concept Clarity (SCC) describes the extent to which the schemas of the self are internally integrated, well defined, and temporally stable. This article presents a theoretical model that describes how different shapes of SCC change (especially stable increase and "V" shape) observed in the course of psychotherapy are related to the therapy outcome. Linking the concept of Jean Piaget and the dynamic systems theory, the study postulates that a stable SCC increase is needed for the participants with a rather healthy personality structure, while SCC change characterized by a "V" shape or fluctuations is optimal for more disturbed patients. Correlational study in a naturalistic setting with repeated measurements (M = 5.8) was conducted on the sample of 85 patients diagnosed with neurosis and personality disorders receiving intensive eclectic group psychotherapy under routine inpatient conditions. Participants filled in the Self-Concept Clarity Scale (SCCS), Symptoms' Questionnaire KS-II, and Neurotic Personality Questionnaire KON-2006 at the beginning and at the end of the course of psychotherapy. The SCCS was also administered every 2 weeks during psychotherapy. As hypothesized, among the relatively healthiest group of patients the stable SCC increase was related to positive treatment outcome, while more disturbed patients benefited from the fluctuations and "V" shape of SCC change. The findings support the idea that for different personality dispositions either a monotonic increase or transient destabilization of SCC is a sign of a good treatment prognosis.

  4. Mechanical and electrical properties of novel poly(ether ether ketone)/carbon nanotube/inorganic fullerene-like WS{sub 2} hybrid nanocomposites: Experimental measurements and theoretical predictions

    Energy Technology Data Exchange (ETDEWEB)

    Diez-Pascual, Ana M. [Department of Physics and Engineering, Institute of Polymer Science and Technology, CSIC, Juan de la Cierva 3, 28006 Madrid (Spain); Naffakh, Mohammed, E-mail: mnaffakh@ictp.csic.es [Department of Physics and Engineering, Institute of Polymer Science and Technology, CSIC, Juan de la Cierva 3, 28006 Madrid (Spain); Gomez-Fatou, Marian A. [Department of Physics and Engineering, Institute of Polymer Science and Technology, CSIC, Juan de la Cierva 3, 28006 Madrid (Spain)

    2011-10-17

    Highlights: {center_dot} The mechanical properties of PEEK based hybrid nanocomposites were analyzed. {center_dot} The composites showed improved stiffness and strength than the neat polymer. {center_dot} Their Young's modulus was fairly well predicted by simple theoretical models. {center_dot} The hybrids with high SWCNT content exhibited semiconducting behaviour. {center_dot} These multifunctional materials are suitable for industrial applications. - Abstract: The mechanical and electrical properties of poly(ether ether ketone) (PEEK) based hybrid nanocomposites incorporating single-walled carbon nanotubes (SWCNTs) and inorganic fullerene-like tungsten disulfide (IF-WS{sub 2}) nanoparticles have been extensively investigated from both experimental and theoretical point of views. Dynamic mechanical studies revealed a remarkable increase in the storage modulus and glass transition temperature of the matrix by the inclusion of both nanofillers. Moreover, tensile and flexural tests indicated significant enhancements in stiffness and strength, attributed to synergistic reinforcement effects combined with strong PEEK-SWCNT interfacial interactions. The Young's modulus of these nanocomposites was fairly well predicted by simple theoretical models such as the rule of mixtures. The hybrids with SWCNT content equal or higher than 0.5 wt% exhibited semiconducting behaviour and the temperature dependence of their electrical conductivity followed a fluctuation-induced tunnelling model. Enhanced overall performance was found for composites prepared by a single-step melt-blending process compared to those manufactured in two stages. The addition of both nanoreinforcements opens up new opportunities for the development of high-performance multifunctional materials suitable for industrial applications.

  5. Prediction of Multi-Target Networks of Neuroprotective Compounds with Entropy Indices and Synthesis, Assay, and Theoretical Study of New Asymmetric 1,2-Rasagiline Carbamates

    Directory of Open Access Journals (Sweden)

    Francisco J. Romero Durán

    2014-09-01

    Full Text Available In a multi-target complex network, the links (Lij represent the interactions between the drug (di and the target (tj, characterized by different experimental measures (Ki, Km, IC50, etc. obtained in pharmacological assays under diverse boundary conditions (cj. In this work, we handle Shannon entropy measures for developing a model encompassing a multi-target network of neuroprotective/neurotoxic compounds reported in the CHEMBL database. The model predicts correctly >8300 experimental outcomes with Accuracy, Specificity, and Sensitivity above 80%–90% on training and external validation series. Indeed, the model can calculate different outcomes for >30 experimental measures in >400 different experimental protocolsin relation with >150 molecular and cellular targets on 11 different organisms (including human. Hereafter, we reported by the first time the synthesis, characterization, and experimental assays of a new series of chiral 1,2-rasagiline carbamate derivatives not reported in previous works. The experimental tests included: (1 assay in absence of neurotoxic agents; (2 in the presence of glutamate; and (3 in the presence of H2O2. Lastly, we used the new Assessing Links with Moving Averages (ALMA-entropy model to predict possible outcomes for the new compounds in a high number of pharmacological tests not carried out experimentally.

  6. Shape of the self-concept clarity change during group psychotherapy predicts the outcome: An empirical validation of the theoretical model of the self-concept change

    Directory of Open Access Journals (Sweden)

    Rafał eStyła

    2015-10-01

    Full Text Available Background: Self-concept clarity describes the extent to which the schemas of the self are internally integrated, well defined, and temporally stable. This article presents a theoretical model that describes how different shapes of self-concept clarity change (especially stable increase and V shape observed in the course of psychotherapy are related to the therapy outcome. Linking the concept of Jean Piaget and the dynamic systems theory, the study postulates that a stable self-concept clarity increase is needed for the participants with a rather healthy personality structure, while self-concept clarity change characterized by a V shape or fluctuations is optimal for more disturbed patients. Method: Correlational study in a naturalistic setting with repeated measurements (M=5.8 was conducted on the sample of 85 patients diagnosed with neurosis and personality disorders receiving intensive eclectic group psychotherapy under routine inpatient conditions. Participants filled in the Self-Concept Clarity Scale, Symptoms’ Questionnaire KS-II, and Neurotic Personality Questionnaire KON-2006 at the beginning and at the end of the course of psychotherapy. The Self-Concept Clarity Scale was also administered every two weeks during psychotherapy. Results: As hypothesized, among the relatively healthiest group of patients the stable self-concept clarity increase was related to positive treatment outcome, while more disturbed patients benefited from the fluctuations and V shape of self-concept clarity change. Conclusions: The findings support the idea that for different personality dispositions either a monotonic increase or transient destabilization of self-concept clarity is a sign of a good treatment prognosis.

  7. The groningen longitudinal glaucoma study III. The predictive value of frequency-doubling perimetry and GDx nerve fibre analyser test results for the development of glaucomatous visual field loss

    NARCIS (Netherlands)

    Heeg, G. P.; Jansonius, N. M.

    Purpose To investigate whether frequency-doubling perimetry (FDT) and nerve fibre analyser (GDx) test results are able to predict glaucomatous visual field loss in glaucoma suspect patients. Methods A large cohort of glaucoma suspect patients (patients with ocular hypertension or a positive family

  8. Theoretical prediction of phonon-mediated superconductivity with T c ≈ 25 K in Li-intercalated hexagonal boron nitride bilayer

    Science.gov (United States)

    Shimada, Nao H.; Minamitani, Emi; Watanabe, Satoshi

    2017-09-01

    A superconducting transition temperature (T c) up to 25 K in the Li-intercalated bilayer of hexagonal boron nitride (h-BN) is predicted according to ab-initio calculations. A T c higher than that of metal-intercalated graphene (MIG) is ascribed to the characteristic spatial distribution of electronic states near the Fermi level, which is distinctly different from that in MIG. In the Li-intercalated bilayer h-BN, the breaking of the symmetrical restriction and the increase in the overlap between the charge density and the Li in-plane motion enhance the electron-phonon coupling. Our results provide a new design guideline for two-dimensional superconductors based on intercalated layered materials.

  9. A new theoretical approach to the functional meaning of sleep and dreaming in humans based on the maintenance of ‘predictive psychic homeostasis’

    Science.gov (United States)

    Barlow, Peter W.; Baluška, František; Tonin, Paolo; Guescini, Michele; Leo, Giuseppina; Fuxe, Kjell

    2011-01-01

    Different theories have been put forward during the last decade to explain the functional meaning of sleep and dreaming in humans. In the present paper, a new theory is presented which, while taking advantage of these earlier theories, introduces the following new and original aspects:   • Circadian rhythms relevant to various organs of the body affect the reciprocal interactions which operate to maintain constancy of the internal milieu and thereby also affect the sleep/wakefulness cycle. Particular attention is given to the constancy of natraemia and osmolarity and to the permissive role that the evolution of renal function has had for the evolution of the central nervous system and its integrative actions. • The resetting of neuro-endocrine controls at the onset of wakefulness leads to the acquisition of new information and its integration within previously stored memories. This point is dealt with in relation to Moore-Ede’s proposal for the existence of a ’predictive homeostasis’. • The concept of ‘psychic homeostasis’ is introduced and is considered as one of the most important states since it is aimed at the well-being, or eudemonia, of the human psyche. Sleep and dreaming in humans are discussed as important functions for the maintenance of a newly proposed composite state: that of ‘predictive psychic homeostasis’. On the basis of these assumptions, and in accordance with the available neurobiological data, the present paper puts forward the novel hypothesis that sleep and dreaming play important functions in humans by compensating for psychic allostatic overloads. Hence, both consolatory dreams and disturbing nightmares can be part of the vis medicatrix naturae, the natural healing power, in this case, the state of eudemonia. PMID:22448302

  10. A new theoretical approach to the functional meaning of sleep and dreaming in humans based on the maintenance of 'predictive psychic homeostasis'.

    Science.gov (United States)

    Agnati, Luigi F; Barlow, Peter W; Baluška, František; Tonin, Paolo; Guescini, Michele; Leo, Giuseppina; Fuxe, Kjell

    2011-11-01

    Different theories have been put forward during the last decade to explain the functional meaning of sleep and dreaming in humans. In the present paper, a new theory is presented which, while taking advantage of these earlier theories, introduces the following new and original aspects:   • Circadian rhythms relevant to various organs of the body affect the reciprocal interactions which operate to maintain constancy of the internal milieu and thereby also affect the sleep/wakefulness cycle. Particular attention is given to the constancy of natraemia and osmolarity and to the permissive role that the evolution of renal function has had for the evolution of the central nervous system and its integrative actions. • The resetting of neuro-endocrine controls at the onset of wakefulness leads to the acquisition of new information and its integration within previously stored memories. This point is dealt with in relation to Moore-Ede's proposal for the existence of a 'predictive homeostasis'. • The concept of 'psychic homeostasis' is introduced and is considered as one of the most important states since it is aimed at the well-being, or eudemonia, of the human psyche. Sleep and dreaming in humans are discussed as important functions for the maintenance of a newly proposed composite state: that of 'predictive psychic homeostasis'. On the basis of these assumptions, and in accordance with the available neurobiological data, the present paper puts forward the novel hypothesis that sleep and dreaming play important functions in humans by compensating for psychic allostatic overloads. Hence, both consolatory dreams and disturbing nightmares can be part of the vis medicatrix naturae, the natural healing power, in this case, the state of eudemonia.

  11. Prediction models for short children born small for gestational age (SGA) covering the total growth phase. Analyses based on data from KIGS (Pfizer International Growth Database).

    Science.gov (United States)

    Ranke, Michael B; Lindberg, Anders

    2011-06-01

    Mathematical models can be developed to predict growth in short children treated with growth hormone (GH). These models can serve to optimize and individualize treatment in terms of height outcomes and costs. The aims of this study were to compile existing prediction models for short children born SGA (SGA), to develop new models and to validate the algorithms. Existing models to predict height velocity (HV) for the first two and the fourth prepubertal years and during total pubertal growth (TPG) on GH were applied to SGA children from the KIGS (Pfizer International Growth Database)--1st year: N = 2340; 2nd year: N = 1358; 4th year: N = 182; TPG: N = 59. A new prediction model was developed for the 3rd prepubertal year based upon 317 children by means of the all-possible regression approach, using Mallow's C(p) criterion. The comparison between the observed and predicted height velocity showed no significant difference when the existing prediction models were applied to new cohorts. A model for predicting HV during the 3rd year explained 33% of the variability with an error SD of 1.0 cm/year. The predictors were (in order of importance): HV previous year; chronological age; weight SDS; mid-parent height SDS and GH dose. Models to predict growth to GH from prepubertal years to adult height are available for short children born SGA. The models utilize easily accessible predictors and are accurate. The overall explained variability in SGA is relatively low, due to the heterogeneity of the disorder. The models can be used to provide patients with a realistic expectation of treatment, and may help to identify compliance problems or other underlying causes of treatment failure.

  12. Prediction models for short children born small for gestational age (SGA covering the total growth phase. Analyses based on data from KIGS (Pfizer International Growth Database

    Directory of Open Access Journals (Sweden)

    Lindberg Anders

    2011-06-01

    Full Text Available Abstract Background Mathematical models can be developed to predict growth in short children treated with growth hormone (GH. These models can serve to optimize and individualize treatment in terms of height outcomes and costs. The aims of this study were to compile existing prediction models for short children born SGA (SGA, to develop new models and to validate the algorithms. Methods Existing models to predict height velocity (HV for the first two and the fourth prepubertal years and during total pubertal growth (TPG on GH were applied to SGA children from the KIGS (Pfizer International Growth Database - 1st year: N = 2340; 2nd year: N = 1358; 4th year: N = 182; TPG: N = 59. A new prediction model was developed for the 3rd prepubertal year based upon 317 children by means of the all-possible regression approach, using Mallow's C(p criterion. Results The comparison between the observed and predicted height velocity showed no significant difference when the existing prediction models were applied to new cohorts. A model for predicting HV during the 3rd year explained 33% of the variability with an error SD of 1.0 cm/year. The predictors were (in order of importance: HV previous year; chronological age; weight SDS; mid-parent height SDS and GH dose. Conclusions Models to predict growth to GH from prepubertal years to adult height are available for short children born SGA. The models utilize easily accessible predictors and are accurate. The overall explained variability in SGA is relatively low, due to the heterogeneity of the disorder. The models can be used to provide patients with a realistic expectation of treatment, and may help to identify compliance problems or other underlying causes of treatment failure.

  13. Phase Behaviour of 1-Ethyl-3-methylimidazolium Thiocyanate Ionic Liquid with Catalytic Deactivated Compounds and Water at Several Temperatures: Experiments and Theoretical Predictions

    Directory of Open Access Journals (Sweden)

    Ramalingam Anantharaj

    2011-01-01

    Full Text Available Density, surface tension and refractive index were determined for the binary mixture of catalytic deactivated compounds with 1-ethyl-3-methylimidazolium thiocyanate {[EMIM][SCN]} at temperature of (298.15 to 323.15 K. For all the compounds with ILs, the densities varied linearly in the entire mole fraction with increasing temperature. From the obtained data, the excess molar volume and deviation of surface tension and refractive index have been calculated. A strong interaction was found between similar (cation-thiophene or cation-pyrrole compounds. The interaction of IL with dissimilar compounds such as indoline and quinoline and other multiple ring compounds was found to strongly depend on the composition of IL at any temperatures. For the mixtures, the surface tension decreases in the order of: thiophene > quinoline > pyridine > indoline > pyrrole > water. In general from the excess volume studies, the IL-sulphur/nitrogen mixture has stronger interaction as compared to IL-IL, thiophene-thiophene or pyrrole-pyrrole interaction. The deviation of surface tension was found to be inversely proportional to deviation of refractive index. The quantum chemical based COSMO-RS was used to predict the non-ideal liquid phase activity coefficient for all mixtures. It indicated an inverse relation between activity coefficient and excess molar volumes.

  14. Scale of Ways of Coping: Theoretical and Methodological Considerations

    Directory of Open Access Journals (Sweden)

    ROCÍO SORIA TRUJANO

    2010-03-01

    Full Text Available The objective was to reconsider the metric properties of the scale of ways of coping from: the comparison of the original factors and the obtained ones by us; to evaluate the factorial structure our data and to compare it with the original one; to value the reliability of different factorial structures and; to consider the levels of prediction of the coping and social support respect tostress. The sample was 250 voluntary participants. The factorial analyses, of reliability and of regression showed that there is evidence no to consider that the scale is multidimensional and if one-dimensional. Theoretical sustenance does not exist that allows to suppose the validity of theoretical concepts or underlying factors in this scale and the empirical analyses thereforeshow it. The real level of the scale is of general character.

  15. Effect of preconditioning cobalt and nickel based dental alloys with Bacillus sp. extract on their surface physicochemical properties and theoretical prediction of Candida albicans adhesion.

    Science.gov (United States)

    Balouiri, Mounyr; Bouhdid, Samira; Sadiki, Moulay; Ouedrhiri, Wessal; Barkai, Hassan; El Farricha, Omar; Ibnsouda, Saad Koraichi; Harki, El Houssaine

    2017-02-01

    Biofilm formation on dental biomaterials is implicated in various oral health problems. Thus the challenge is to prevent the formation of this consortium of microorganisms using a safe approach such as antimicrobial and anti-adhesive natural products. Indeed, in the present study, the effects of an antifungal extract of Bacillus sp., isolated from plant rhizosphere, on the surface physicochemical properties of cobalt and nickel based dental alloys were studied using the contact angle measurements. Furthermore, in order to predict the adhesion of Candida albicans to the treated and untreated dental alloys, the total free energy of adhesion was calculated based on the extended Derjaguin-Landau-Verwey-Overbeek approach. Results showed hydrophobic and weak electron-donor and electron-acceptor characteristics of both untreated dental alloys. After treatment with the antifungal extract, the surface free energy of both dental alloys was influenced significantly, mostly for cobalt based alloy. In fact, treated cobalt based alloy became hydrophilic and predominantly electron donating. Those effects were time-dependent. Consequently, the total free energy of adhesion of C. albicans to this alloy became unfavorable after treatment with the investigated microbial extract. A linear relationship between the electron-donor property and the total free energy of adhesion has been found for both dental alloys. Also, a linear relationship has been found between this latter and the hydrophobicity for the cobalt based alloy. However, the exposure of nickel based alloy to the antifungal extract failed to produce the same effect. Copyright © 2016 Elsevier B.V. All rights reserved.

  16. The Janus-faced nature of time spent on homework : Using latent profile analyses to predict academic achievement over a school year

    NARCIS (Netherlands)

    Flunger, Barbara; Trautwein, Ulrich; Nagengast, Benjamin; Lüdtke, Oliver; Niggli, Alois; Schnyder, Inge

    2015-01-01

    Homework time and achievement are only modestly associated, whereas homework effort has consistently been shown to positively predict later achievement. We argue that time spent on homework can be an important predictor of achievement when combined with measures of homework effort. Latent profile

  17. Logistic Regression Analyses for Predicting Clinically Important Differences in Motor Capacity, Motor Performance, and Functional Independence after Constraint-Induced Therapy in Children with Cerebral Palsy

    Science.gov (United States)

    Wang, Tien-ni; Wu, Ching-yi; Chen, Chia-ling; Shieh, Jeng-yi; Lu, Lu; Lin, Keh-chung

    2013-01-01

    Given the growing evidence for the effects of constraint-induced therapy (CIT) in children with cerebral palsy (CP), there is a need for investigating the characteristics of potential participants who may benefit most from this intervention. This study aimed to establish predictive models for the effects of pediatric CIT on motor and functional…

  18. Molecular and clinical analyses of Greig cephalopolysyndactyly and Pallister-Hall syndromes: Robust phenotype prediction from the type and position of GLI3 mutations

    NARCIS (Netherlands)

    Johnston, Jennifer J.; Olivos-Glander, Isabelle; Killoran, Christina; Elson, Emma; Turner, Joyce T.; Peters, Kathryn F.; Abbott, Margaret H.; Aughton, David J.; Aylsworth, Arthur S.; Bamshad, Michael J.; Booth, Carol; Curry, Cynthia J.; David, Albert; Dinulos, Mary Beth; Flannery, David B.; Fox, Michelle A.; Graham, John M.; Grange, Dorothy K.; Guttmacher, Alan E.; Hannibal, Mark C.; Henn, Wolfram; Hennekam, Raoul C. M.; Holmes, Lewis B.; Hoyme, H. Eugene; Leppig, Kathleen A.; Lin, Angela E.; Macleod, Patrick; Manchester, David K.; Marcelis, Carlo; Mazzanti, Laura; McCann, Emma; McDonald, Marie T.; Mendelsohn, Nancy J.; Moeschler, John B.; Moghaddam, Billur; Neri, Giovanni; Newbury-Ecob, Ruth; Pagon, Roberta A.; Phillips, John A.; Sadler, Laurie S.; Stoler, Joan M.; Tilstra, David; Walsh Vockley, Catherine M.; Zackai, Elaine H.; Zadeh, Touran M.; Brueton, Louise; Black, Graeme Charles M.; Biesecker, Leslie G.

    2005-01-01

    Mutations in the GLI3 zinc-finger transcription factor gene cause Greig cephalopolysyndactyly syndrome (GCPS) and Pallister-Hall syndrome (PHS), which are variable but distinct clinical entities. We hypothesized that GLI3 mutations that predict a truncated functional repressor protein cause PHS and

  19. Development of time-trend model for analysing and predicting case pattern of dog bite injury induced rabies-like-illness in Liberia, 2014-2017.

    Science.gov (United States)

    Jomah, N D; Ojo, J F; Odigie, E A; Olugasa, B O

    2014-12-01

    The post-civil war records of dog bite injuries (DBI) and rabies-like-illness (RLI) among humans in Liberia is a vital epidemiological resource for developing a predictive model to guide the allocation of resources towards human rabies control. Whereas DBI and RLI are high, they are largely under-reported. The objective of this study was to develop a time model of the case-pattern and apply it to derive predictors of time-trend point distribution of DBI-RLI cases. A retrospective 6 years data of DBI distribution among humans countrywide were converted to quarterly series using a transformation technique of Minimizing Squared First Difference statistic. The generated dataset was used to train a time-trend model of the DBI-RLI syndrome in Liberia. An additive detenninistic time-trend model was selected due to its performance compared to multiplication model of trend and seasonal movement. Parameter predictors were run on least square method to predict DBI cases for a prospective 4 years period, covering 2014-2017. The two-stage predictive model of DBI case-pattern between 2014 and 2017 was characterised by a uniform upward trend within Liberia's coastal and hinterland Counties over the forecast period. This paper describes a translational application of the time-trend distribution pattern of DBI epidemics, 2008-2013 reported in Liberia, on which a predictive model was developed. A computationally feasible two-stage time-trend permutation approach is proposed to estimate the time-trend parameters and conduct predictive inference on DBI-RLI in Liberia.

  20. Theoretical Particle Astrophysics

    Energy Technology Data Exchange (ETDEWEB)

    Kamionkowski, Marc [Johns Hopkins Univ., Baltimore, MD (United States)

    2013-08-07

    Abstract: Theoretical Particle Astrophysics. The research carried out under this grant encompassed work on the early Universe, dark matter, and dark energy. We developed CMB probes for primordial baryon inhomogeneities, primordial non-Gaussianity, cosmic birefringence, gravitational lensing by density perturbations and gravitational waves, and departures from statistical isotropy. We studied the detectability of wiggles in the inflation potential in string-inspired inflation models. We studied novel dark-matter candidates and their phenomenology. This work helped advance the DoE's Cosmic Frontier (and also Energy and Intensity Frontiers) by finding synergies between a variety of different experimental efforts, by developing new searches, science targets, and analyses for existing/forthcoming experiments, and by generating ideas for new next-generation experiments.

  1. Analysing Biochemical Oscillations through Probabilistic Model Checking

    DEFF Research Database (Denmark)

    Ballarini, Paolo; Mardare, Radu Iulian; Mura, Ivan

    2009-01-01

    Analysing Biochemical Oscillations through Probabilistic Model Checking. In Proc. of the Second International Workshop "From Biology To Concurrency" (FBTC 2008), Electronic Notes in Theoretical Computer Science......Analysing Biochemical Oscillations through Probabilistic Model Checking. In Proc. of the Second International Workshop "From Biology To Concurrency" (FBTC 2008), Electronic Notes in Theoretical Computer Science...

  2. Sensory based quality control utilising an electronic nose and GC-MS analyses to predict end-product quality from raw materials.

    Science.gov (United States)

    Hansen, Thomas; Petersen, Mikael Agerlin; Byrne, Derek V

    2005-04-01

    The objective of the present study was to investigate if an electronic nose, comprising six metal oxide sensors (MOS) could predict the sensory quality of porcine meat loaf, based on measuring the volatiles in either the raw materials or the meat loaf produced from those raw materials. A multivariate data analysis strategy involving analysis of variance partial least squares regression (APLSR) and principal component analysis (PCA) was used to determine causal and predictive relationships between the raw material and meat loaf samples, sensory analysis, electronic nose, and GC-MS measurements. The results showed that the six MOS sensors in the Danish odour sensor system (DOSS) could detect the raw materials that led to unacceptable products, as determined by sensory profiling and in-house sensory quality control (QC), and separate those raw materials from each other, based on the volatile composition, as determined by GC-MS. However, the electronic nose was unable to detect all the sensory unacceptable meat loaf samples themselves due to changes in the volatile composition after cooking. Analysis of the GC-MS compounds identified from raw materials and meat loaf samples indicate that two MOS sensors mainly responded to alcohols and to a lesser degree to aldehydes and alkanes, whereas two other sensors most likely responded to low molecular weight sulphur compounds. Thus, the results indicate that measuring volatiles with the MOS sensors in the DOSS system, on raw materials for processed meat products, may be a feasible strategy in sensory based quality control, and may also have potential in predicting the sensory quality of the end product.

  3. Effect of the fermentation pH on the storage stability of Lactobacillus rhamnosus preparations and suitability of in vitro analyses of cell physiological functions to predict it.

    Science.gov (United States)

    Saarela, M H; Alakomi, H-L; Puhakka, A; Mättö, J

    2009-04-01

    To investigate how cell physiological functions can predict the stability of freeze-dried probiotics. In addition, the effect of the fermentation pH on the stability of probiotics was investigated. Fermenter-grown (pH 5.8 or 5.0) Lactobacillus rhamnosus cells were freeze-dried and their survival was evaluated during storage at 37 degrees C, in apple juice and during acid [hydrochloric acid (HCl) and malic acid] and bile exposure. Cells grown at pH 5.0 were generally coping better with acid-stress than cells grown at pH 5.8. Cells were more sensitive to malic acid compared with HCl. Short-term stability results of Lact. rhamnosus cells in malic acid correlated well with the long-term stability results in apple juice, whereas the results of cell membrane integrity studies were in accordance with bile exposure results. Malic acid exposure can prove useful in evaluating the long-term stability of probiotic preparations in apple juice. Fermentation at reduced pH may ensure a better performance of Lact. rhamnosus cells during the subsequent acid-stress. The beneficial effect of lowered fermentation pH to Lact. rhamnosus stability during storage in apple juice and the usefulness of malic acid test in predicting the stability were shown.

  4. Theoretical prediction of 'optimal' freezing programmes

    NARCIS (Netherlands)

    Woelders, H.; Chaveiro, A.

    2004-01-01

    We have developed a quantitative description of the osmotic behaviour of cells during freezing without a presupposed value of the cooling rate. Instead, at all times the intracellular supercooling is maximised provided that it does not exceed a predetermined value 'p' (e.g., 2°C). This should

  5. Barriers to predicting changes in global terrestrial methane fluxes: analyses using CLM4Me, a methane biogeochemistry model integrated in CESM

    Directory of Open Access Journals (Sweden)

    W. J. Riley

    2011-07-01

    Full Text Available Terrestrial net CH4 surface fluxes often represent the difference between much larger gross production and consumption fluxes and depend on multiple physical, biological, and chemical mechanisms that are poorly understood and represented in regional- and global-scale biogeochemical models. To characterize uncertainties, study feedbacks between CH4 fluxes and climate, and to guide future model development and experimentation, we developed and tested a new CH4 biogeochemistry model (CLM4Me integrated in the land component (Community Land Model; CLM4 of the Community Earth System Model (CESM1. CLM4Me includes representations of CH4 production, oxidation, aerenchyma transport, ebullition, aqueous and gaseous diffusion, and fractional inundation. As with most global models, CLM4 lacks important features for predicting current and future CH4 fluxes, including: vertical representation of soil organic matter, accurate subgrid scale hydrology, realistic representation of inundated system vegetation, anaerobic decomposition, thermokarst dynamics, and aqueous chemistry. We compared the seasonality and magnitude of predicted CH4 emissions to observations from 18 sites and three global atmospheric inversions. Simulated net CH4 emissions using our baseline parameter set were 270, 160, 50, and 70 Tg CH4 yr−1 globally, in the tropics, in the temperate zone, and north of 45° N, respectively; these values are within the range of previous estimates. We then used the model to characterize the sensitivity of regional and global CH4 emission estimates to uncertainties in model parameterizations. Of the parameters we tested, the temperature sensitivity of CH4 production, oxidation parameters, and aerenchyma properties had the largest impacts on net CH4 emissions, up to a factor of 4 and 10 at the regional and gridcell scales

  6. Towards a theoretical framework for analysing organisational processes

    DEFF Research Database (Denmark)

    Rocha, Robson Silva

    2003-01-01

    characteristics and changes in actors' strategiesat micro level, in a way that links macro changes and micro processes - the cognitivestructures of the individual and social structures of the society. In order to build this framework, I draw from the figuration sociology of Norbert Elias, the praxeologia ofPierre...... Bourdieu and the work of Michael Crozier....

  7. Generation of a predicted protein database from EST data and application to iTRAQ analyses in grape (Vitis vinifera cv. Cabernet Sauvignon berries at ripening initiation

    Directory of Open Access Journals (Sweden)

    Smith Derek

    2009-01-01

    Full Text Available Abstract Background iTRAQ is a proteomics technique that uses isobaric tags for relative and absolute quantitation of tryptic peptides. In proteomics experiments, the detection and high confidence annotation of proteins and the significance of corresponding expression differences can depend on the quality and the species specificity of the tryptic peptide map database used for analysis of the data. For species for which finished genome sequence data are not available, identification of proteins relies on similarity to proteins from other species using comprehensive peptide map databases such as the MSDB. Results We were interested in characterizing ripening initiation ('veraison' in grape berries at the protein level in order to better define the molecular control of this important process for grape growers and wine makers. We developed a bioinformatic pipeline for processing EST data in order to produce a predicted tryptic peptide database specifically targeted to the wine grape cultivar, Vitis vinifera cv. Cabernet Sauvignon, and lacking truncated N- and C-terminal fragments. By searching iTRAQ MS/MS data generated from berry exocarp and mesocarp samples at ripening initiation, we determined that implementation of the custom database afforded a large improvement in high confidence peptide annotation in comparison to the MSDB. We used iTRAQ MS/MS in conjunction with custom peptide db searches to quantitatively characterize several important pathway components for berry ripening previously described at the transcriptional level and confirmed expression patterns for these at the protein level. Conclusion We determined that a predicted peptide database for MS/MS applications can be derived from EST data using advanced clustering and trimming approaches and successfully implemented for quantitative proteome profiling. Quantitative shotgun proteome profiling holds great promise for characterizing biological processes such as fruit ripening

  8. Comparative Analysis To Determine Predictive Model Accuracy : A dynamic currency exchange rate predictive model development using SAP HANA Predictive Analytic Library (PAL) algorithm

    OpenAIRE

    Oke, Mudiaga

    2014-01-01

    The present thesis describes the development and implementation of a dynamic currency exchange rate predictive model. The aim of the thesis was to measure and determine the accuracy of a dynamic currency exchange rate predictive model by analysing different historical data samples. The theoretical framework of the thesis focused on research into different disciplines related to predicted analytics and the different data mining algorithms. The study was carried out using quantitative data ...

  9. Theoretical Approaches to the College Environment

    Science.gov (United States)

    Baird, Leonard L.

    1978-01-01

    There is a need for theories of how college environments operate. Criteria for theories are proposed, with emphasis on the production of testable theoretical predictions. Three approaches appear unusually promising: role theory, organizational psychology, and social ecological analysis. The advantages of using such theoretical approaches are…

  10. Changes in pain catastrophizing predict later changes in fibromyalgia clinical and experimental pain report: cross-lagged panel analyses of dispositional and situational catastrophizing.

    Science.gov (United States)

    Campbell, Claudia M; McCauley, Lea; Bounds, Sara C; Mathur, Vani A; Conn, Lora; Simango, Mpepera; Edwards, Robert R; Fontaine, Kevin R

    2012-10-25

    Fibromyalgia (FM), characterized by wide-spread diffuse pain and sensory abnormalities, is associated with elevated indices of distress and pain-related catastrophizing compared to both pain-free samples and those with chronic pain conditions. Catastrophizing is a pervasive negative mental set, and is a strong predictor of negative pain-related outcomes such as clinical pain intensity, and physical disability. Situational catastrophizing, measured in the context of experimentally-induced pain, is strongly related to enhanced pain sensitivity, a core aspect of the pathophysiology of fibromyalgia. However, little is known regarding the temporal course of the association between catastrophizing and pain-related "outcomes". Most studies involve only static assessments of pain and catastrophizing at a single time point, which provides little insight into the direction of the observed associations. We sought to investigate the temporal relationships between catastrophizing and indices of both clinical pain (substudy 1) and experimentally-induced pain (substudy 2) in a larger randomized controlled longitudinal trial. Fifty-seven patients with FM completed catastrophizing, depression, and pain questionnaires as well as laboratory cold pressor pain testing at baseline, post-intervention and three month follow-up during a lifestyle physical activity study. Cross-lagged panel analyses were used to address these temporal relationships. In substudy 1, analyses revealed that pre-to-post changes in dispositional catastrophizing ratings prospectively accounted for unique variance in subsequent post-to-follow-up changes in clinical pain ratings (p = 0.005), while pre-to-post changes in pain ratings did not account for unique variance in post-to-follow-up changes in catastrophizing ratings. An identical pattern was observed experimentally in substudy 2, with pre-to-post changes in situational catastrophizing ratings prospectively accounting for unique variance in subsequent post

  11. Hydrophysical conditions and periphyton in natural rivers. Analysis and predictive modelling of periphyton by changed regulations; Hydrofysiske forhold og begroing i naturlige elver. Analyse og prediktiv modellering av begroing ved reguleringsendringer

    Energy Technology Data Exchange (ETDEWEB)

    Stokseth, S.

    1994-10-01

    The objective of this thesis has been to examine the interaction between hydrodynamical and physical factors and the temporal and spatial dynamics of periphyton in natural steep rivers. The study strategy has been to work with quantitative system variables to be able to evaluate the potential usability of a predictive model for periphyton changes as a response to river regulations. The thesis is constituted by a theoretical and an empirical study. The theoretical study is aimed at presenting a conceptual model of the relevant factors based on an analysis of published studies. Effort has been made to evaluate and present the background material in a structured way. To concurrently handle the spatial and temporal dynamics of periphyton a new method for data collection has been developed. A procedure for quantifying the photo registrations has been developed. The simple hydrodynamical parameters were estimated from a set of standard formulas whereas the complex parameters were estimated from a three dimensional simulation model called SSIIM. The main conclusion from the analysis is that flood events are the major controlling factors wrt. periphyton biomass and that water temperature is of major importance for the periphyton resistance. Low temperature clearly increases the periphyton erosion resistance. Thus, to model or control the temporal dynamics the river periphyton, the water temperature and the frequency and size of floods should be regarded the most significant controlling factors. The data in this study has been collected from a river with a stable water quality and frequent floods. 109 refs., 41 figs., 34 tabs.

  12. Sensitivity analyses for four pesticide leaching models.

    Science.gov (United States)

    Dubus, Igor G; Brown, Colin D; Beulke, Sabine

    2003-09-01

    Sensitivity analyses using a one-at-a-time approach were carried out for leaching models which have been widely used for pesticide registration in Europe (PELMO, PRZM, PESTLA and MACRO). Four scenarios were considered for simulation of the leaching of two theoretical pesticides in a sandy loam and a clay loam soil, each with a broad distribution across Europe. Input parameters were varied within bounds reflecting their uncertainty and the influence of these variations on model predictions was investigated for accumulated percolation at 1-m depth and pesticide loading in leachate. Predictions for the base-case scenarios differed between chromatographic models and the preferential flow model MACRO for which large but transient pesticide losses were predicted in the clay loam. Volumes of percolated water predicted by the four models were affected by a small number of input parameters and to a small extent only, suggesting that meteorological variables will be the main drivers of water balance predictions. In contrast to percolation, predictions for pesticide loss were found to be sensitive to a large number of input parameters and to a much greater extent. Parameters which had the largest influence on the prediction of pesticide loss were generally those related to chemical sorption (Freundlich exponent nf and distribution coefficient Kf) and degradation (either degradation rates or DT50, QTEN value). Nevertheless, a significant influence of soil properties (field capacity, bulk density or parameters defining the boundary between flow domains in MACRO) was also noted in at least one scenario for all models. Large sensitivities were reported for all models, especially PELMO and PRZM, and sensitivity was greater where only limited leaching was simulated. Uncertainty should be addressed in risk assessment procedures for crop-protection products.

  13. Effects of pharmacists' interventions on appropriateness of prescribing and evaluation of the instruments' (MAI, STOPP and STARTs' ability to predict hospitalization--analyses from a randomized controlled trial.

    Directory of Open Access Journals (Sweden)

    Ulrika Gillespie

    Full Text Available Appropriateness of prescribing can be assessed by various measures and screening instruments. The aims of this study were to investigate the effects of pharmacists' interventions on appropriateness of prescribing in elderly patients, and to explore the relationship between these results and hospital care utilization during a 12-month follow-up period.The study population from a previous randomized controlled study, in which the effects of a comprehensive pharmacist intervention on re-hospitalization was investigated, was used. The criteria from the instruments MAI, STOPP and START were applied retrospectively to the 368 study patients (intervention group (I n = 182, control group (C n = 186. The assessments were done on admission and at discharge to detect differences over time and between the groups. Hospital care consumption was recorded and the association between scores for appropriateness, and hospitalization was analysed.The number of Potentially Inappropriate Medicines (PIMs per patient as identified by STOPP was reduced for I but not for C (1.42 to 0.93 vs. 1.46 to 1.66 respectively, p<0.01. The number of Potential Prescription Omissions (PPOs per patient as identified by START was reduced for I but not for C (0.36 to 0.09 vs. 0.42 to 0.45 respectively, p<0.001. The summated score for MAI was reduced for I but not for C (8.5 to 5.0 and 8.7 to 10.0 respectively, p<0.001. There was a positive association between scores for MAI and STOPP and drug-related readmissions (RR 8-9% and 30-34% respectively. No association was detected between the scores of the tools and total re-visits to hospital.The interventions significantly improved the appropriateness of prescribing for patients in the intervention group as evaluated by the instruments MAI, STOPP and START. High scores in MAI and STOPP were associated with a higher number of drug-related readmissions.

  14. Social Network Analyses and Nutritional Behavior: An Integrated Modeling Approach

    Directory of Open Access Journals (Sweden)

    Alistair McNair Senior

    2016-01-01

    Full Text Available Animals have evolved complex foraging strategies to obtain a nutritionally balanced diet and associated fitness benefits. Recent advances in nutrition research, combining state-space models of nutritional geometry with agent-based models of systems biology, show how nutrient targeted foraging behavior can also influence animal social interactions, ultimately affecting collective dynamics and group structures. Here we demonstrate how social network analyses can be integrated into such a modeling framework and provide a tangible and practical analytical tool to compare experimental results with theory. We illustrate our approach by examining the case of nutritionally mediated dominance hierarchies. First we show how nutritionally explicit agent-based models that simulate the emergence of dominance hierarchies can be used to generate social networks. Importantly the structural properties of our simulated networks bear similarities to dominance networks of real animals (where conflicts are not always directly related to nutrition. Finally, we demonstrate how metrics from social network analyses can be used to predict the fitness of agents in these simulated competitive environments. Our results highlight the potential importance of nutritional mechanisms in shaping dominance interactions in a wide range of social and ecological contexts. Nutrition likely influences social interaction in many species, and yet a theoretical framework for exploring these effects is currently lacking. Combining social network analyses with computational models from nutritional ecology may bridge this divide, representing a pragmatic approach for generating theoretical predictions for nutritional experiments.

  15. A course in theoretical physics

    CERN Document Server

    Shepherd, P J

    2013-01-01

    This book is a comprehensive account of five extended modules covering the key branches of twentieth-century theoretical physics, taught by the author over a period of three decades to students on bachelor and master university degree courses in both physics and theoretical physics. The modules cover nonrelativistic quantum mechanics, thermal and statistical physics, many-body theory, classical field theory (including special relativity and electromagnetism), and, finally, relativistic quantum mechanics and gauge theories of quark and lepton interactions, all presented in a single, self-contained volume. In a number of universities, much of the material covered (for example, on Einstein’s general theory of relativity, on the BCS theory of superconductivity, and on the Standard Model, including the theory underlying the prediction of the Higgs boson) is taught in postgraduate courses to beginning PhD students. A distinctive feature of the book is that full, step-by-step mathematical proofs of all essentia...

  16. Topics in Theoretical Physics

    Energy Technology Data Exchange (ETDEWEB)

    Cohen, Andrew [Boston Univ., MA (United States); Schmaltz, Martin [Boston Univ., MA (United States); Katz, Emmanuel [Boston Univ., MA (United States); Rebbi, Claudio [Boston Univ., MA (United States); Glashow, Sheldon [Boston Univ., MA (United States); Brower, Richard [Boston Univ., MA (United States); Pi, So-Young [Boston Univ., MA (United States)

    2016-09-30

    interactions between quark and gluon particles, we have no clear idea how to express the proton state in terms of these quarks and gluons. This is because the proton, though a bound state of quarks and gluons, is not a state of a fixed number of particles due to strong interactions. Yet, understanding the proton state is very important in order to theoretically predict the reaction rates observed at the LHC in Geneva, which is a proton-proton collider. Katz has formulated a new approach to QFT, which among other things offers a way to adequately approximate the quantum wave function of a bound state at strong coupling. The approximation scheme is related to the fact that any sensible QFT (including that of the strong interactions) is at short distances approximately self-similar upon rescaling of space and time. It turns out that keeping track of the response upon this rescaling is important in efficiently parameterizing the state. Katz and collaborators have used this observation to approximate the state of the proton in toy versions of the strong force. In the late 60s Sheldon Glashow, Abdus Salam and Steven Weinberg (1979 Nobel Prize awardees) proposed a theory unifying weak and electromagnetic interaction which assumed the existence of new particles, the W and Z bosons. The W and Z bosons were eventually detected in high-energy collision in a particle accelerator at CERN, and the recent discovery of the Higgs meson at the Large Hadron Collider (LHC), always at CERN, completed the picture. However, deep theoretical considerations indicate that the theory by Glashow, Weinberg and Salam, often referred to as "the standard model" cannot be the whole story: the existence of new particles and new interactions at yet higher energies is widely anticipated. The experiments at the LHC are looking for these, while theorists, like Brower, Rebbi and collaborators, are investigating models for these new interactions. Working in a large national collaboration with access to the most

  17. Theoretical Computer Science

    DEFF Research Database (Denmark)

    2002-01-01

    The proceedings contains 8 papers from the Conference on Theoretical Computer Science. Topics discussed include: query by committee, linear separation and random walks; hardness results for neural network approximation problems; a geometric approach to leveraging weak learners; mind change...

  18. Theoretical physics and astrophysics

    CERN Document Server

    Ginzburg, Vitalii Lazarevich

    1979-01-01

    The aim of this book is to present, on the one hand various topics in theoretical physics in depth - especially topics related to electrodynamics - and on the other hand to show how these topics find applications in various aspects of astrophysics. The first text on theoretical physics and astrophysical applications, it covers many recent advances including those in X-ray, &ggr;-ray and radio-astronomy, with comprehensive coverage of the literature

  19. Anatomy of the Higgs fits: A first guide to statistical treatments of the theoretical uncertainties

    Directory of Open Access Journals (Sweden)

    Sylvain Fichet

    2016-04-01

    Full Text Available The studies of the Higgs boson couplings based on the recent and upcoming LHC data open up a new window on physics beyond the Standard Model. In this paper, we propose a statistical guide to the consistent treatment of the theoretical uncertainties entering the Higgs rate fits. Both the Bayesian and frequentist approaches are systematically analysed in a unified formalism. We present analytical expressions for the marginal likelihoods, useful to implement simultaneously the experimental and theoretical uncertainties. We review the various origins of the theoretical errors (QCD, EFT, PDF, production mode contamination…. All these individual uncertainties are thoroughly combined with the help of moment-based considerations. The theoretical correlations among Higgs detection channels appear to affect the location and size of the best-fit regions in the space of Higgs couplings. We discuss the recurrent question of the shape of the prior distributions for the individual theoretical errors and find that a nearly Gaussian prior arises from the error combinations. We also develop the bias approach, which is an alternative to marginalisation providing more conservative results. The statistical framework to apply the bias principle is introduced and two realisations of the bias are proposed. Finally, depending on the statistical treatment, the Standard Model prediction for the Higgs signal strengths is found to lie within either the 68% or 95% confidence level region obtained from the latest analyses of the 7 and 8 TeV LHC datasets.

  20. Accurate predictions for the LHC made easy

    CERN Multimedia

    CERN. Geneva

    2014-01-01

    The data recorded by the LHC experiments is of a very high quality. To get the most out of the data, precise theory predictions, including uncertainty estimates, are needed to reduce as much as possible theoretical bias in the experimental analyses. Recently, significant progress has been made in computing Next-to-Leading Order (NLO) computations, including matching to the parton shower, that allow for these accurate, hadron-level predictions. I shall discuss one of these efforts, the MadGraph5_aMC@NLO program, that aims at the complete automation of predictions at the NLO accuracy within the SM as well as New Physics theories. I’ll illustrate some of the theoretical ideas behind this program, show some selected applications to LHC physics, as well as describe the future plans.

  1. Theoretical and experimental morphologies of 4-aminobenzophenone (ABP) crystals

    Science.gov (United States)

    Wang, Qingwu; Sheen, D. B.; Shepherd, E. E. A.; Sherwood, J. N.; Simpson, G. S.; Hammond, R. B.

    1997-11-01

    The lattice energy (Elatt), slice energies (Eslice) and attachment energies (Eatt) of the different habit faces of ABP crystals have been calculated using the computer program HABIT. On the basis of the attachment energies of different crystal faces, the morphology was defined as {1 0 0}, {0 0 1}, {1 1 0}, {11bar0} and {1 01bar}. To confirm this theoretical prediction, we have grown ABP films and ABP crystals from the vapour phase. In both cases, the morphologically most important face was defined as {1 0 0} face using X-ray diffraction techniques. The remaining faces of the vapour-grown crystals were defined using a projection method, while the crystallites in the films were morphologically analysed by means of atomic force microscopy (AFM). The experimental morphologies are basically in agreement with the computation. Deviations from the equilibrium morphology can be ascribed to departure from equilibrium conditions during growth. For completeness, the results are compared with those for crystals grown from solutions for which deviations in morphology from the theoretical predictions can be ascribed to interaction between the crystal faces and solvent molecules.

  2. Theoretical investigation on crystal structure, detonation ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 125; Issue 4. Theoretical investigation on crystal structure, detonation ... The bond dissociation energies and bond orders for the weakest bonds were analysed to investigate the thermal stability of the title compound. The detonation and pressure were evaluated by ...

  3. Clinical versus statistical prediction: the contribution of Paul E. Meehl.

    Science.gov (United States)

    Grove, William M

    2005-10-01

    The background of Paul E. Meehl's work on clinical versus statistical prediction is reviewed, with detailed analyses of his arguments. Meehl's four main contributions were the following: (a) he put the question, of whether clinical or statistical combinations of psychological data yielded better predictions, at center stage in applied psychology; (b) he convincingly argued, against an array of objections, that clinical versus statistical prediction was a real (not concocted) problem needing thorough study; (c) he meticulously and even-handedly dissected the logic of clinical inference from theoretical and probabilistic standpoints; and (c) he reviewed the studies available in 1954 and thereafter, which tested the validity of clinical versus statistical predictions. His early conclusion that the literature strongly favors statistical prediction has stood up extremely well, and his conceptual analyses of the prediction problem (especially his defense of applying aggregate-based probability statements to individual cases) have not been significantly improved since 1954. 2005 Wiley Periodicals, Inc.

  4. Theoretical molecular structure, vibrational frequencies and NMR ...

    African Journals Online (AJOL)

    Theoretical results have been successfully compared with available experimental data in the literature. Regarding the calculations, 2mpe-4bb prefers enol-imine form and DFT method is superior to HF approach except for predicting bond lengths. KEY WORDS: Schiff bases, Normal mode frequencies, HF, DFT, NMR. Bull.

  5. Riemann and Theoretical Physics

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 11; Issue 11. Riemann and Theoretical Physics. Joseph Samuel. General Article Volume 11 Issue 11 November 2006 pp 56-60. Fulltext. Click here to view fulltext PDF. Permanent link: http://www.ias.ac.in/article/fulltext/reso/011/11/0056-0060. Keywords.

  6. A Linguistic Theoretical Exercise

    African Journals Online (AJOL)

    Nekky Umera

    communication with other people in the environment which they find themselves. This paper aims at carrying out linguistic theoretical exercise as regards the use of the English primary auxiliary verbs. The paper also aims at exposing the rate at which speakers of English Language misuse the. English primary auxiliary ...

  7. Social Assistance: Theoretical Underpinnings

    African Journals Online (AJOL)

    user

    Minas Hiruy. 90. Reflections: Social assistance: theoretical underpinnings. Minas Hiruy. 1. Key words: marginalized community, social assistance, social welfare, MDGs, development. The case of the marginalized and how society regarded or responded to the same has played a significant part in shaping human history ...

  8. Department of Theoretical Physics

    Energy Technology Data Exchange (ETDEWEB)

    Kwiecinski, J. [Institute of Nuclear Physics, Cracow (Poland)

    1994-12-31

    The research done at the Department of Theoretical Physics of the Niewodniczanski Institute of Nuclear Physics in 1993 is presented. The research program includes: - the role of Galilean relativity principle in quantum mechanics, dense and/or hot hadronic matter and the structure of hadrons studied in particle and nuclear interactions.

  9. Department of Theoretical Physics

    Energy Technology Data Exchange (ETDEWEB)

    Kwiecinski, J. [Institute of Nuclear Physics, Cracow (Poland)

    1992-12-31

    The research done at the Department of Theoretical Physics of the Niewodniczanski Institute of Nuclear Physics in 1991 are presented. The research program includes: the role of Galilean relativity principle in quantum mechanics, dense and/or hot hadronic matter and the structure of hadrons studied in particle and nuclear interactions.

  10. Theoretical Aspects of Translation.

    Science.gov (United States)

    House, Juliane M.

    This study attempts to bring some clarification into the concept of translation, especially into the theoretical problems presented by the difficulties of translation. The following aspects of the question are treated: (1) translation in the past and present, including the controversy over translation as an art or a science, the relevance of…

  11. INFANTILISM: THEORETICAL CONSTRUCT AND OPERATIONALIZATION

    Directory of Open Access Journals (Sweden)

    Yelena V. Sabelnikova

    2016-01-01

    Full Text Available The aim of the presented research is to define and operationalize theoretically the concept of infantilism and its construct. The content of theoretical construct «infantilism» is analyzed. Methods. The methods of theoretical research involve analysis and synthesis. The age and content criteria are analysed in the context of childhood and adulthood. The traits which can be interpreted as adult infantile traits are described. Results. The characteristics of adult infantilism in modern world taking into account the increasing of information flows and socio-economic changes are defined. The definition of the concept «infantilism» including its main features is given. Infantilism is defined as the personal organization including features and models of the previous age period not adequate for the real age stage with emphasis on immaturity of the emotional and volitional sphere. Scientific novelty. The main psychological characteristics of adulthood are described as the reflection, requirement to work and professional activity, existence of professional self-determination, possession of labor skills, need for selfrealization, maturity of the emotional and volitional sphere. As objective adulthood characteristics are considered the following: transition to economic and territorial independence of a parental family, and also development of new social roles, such as a worker, spouse, and parent. Two options of a possible operationalization of concept are allocated: objective (existence / absence in real human life of objective criteria of adulthood and subjective (the self-report on subjective feeling of existence / lack of psychological characteristics of adulthood. Practical significance consists in a construct operationalization of «infantilism» which at the moment has so many interpretations. That operationalization is necessary for the further analysis and carrying out various researches. 

  12. Theoretical atomic physics

    CERN Document Server

    Friedrich, Harald

    2017-01-01

    This expanded and updated well-established textbook contains an advanced presentation of quantum mechanics adapted to the requirements of modern atomic physics. It includes topics of current interest such as semiclassical theory, chaos, atom optics and Bose-Einstein condensation in atomic gases. In order to facilitate the consolidation of the material covered, various problems are included, together with complete solutions. The emphasis on theory enables the reader to appreciate the fundamental assumptions underlying standard theoretical constructs and to embark on independent research projects. The fourth edition of Theoretical Atomic Physics contains an updated treatment of the sections involving scattering theory and near-threshold phenomena manifest in the behaviour of cold atoms (and molecules). Special attention is given to the quantization of weakly bound states just below the continuum threshold and to low-energy scattering and quantum reflection just above. Particular emphasis is laid on the fundamen...

  13. Maternal filicide theoretical framework.

    Science.gov (United States)

    Mugavin, Marie

    2008-01-01

    The maternal filicide theoretical framework (MFTF) was developed to enrich the understanding of how traumatic experiences during formative years can affect a woman's relationship with her own child. Exposure to a known set of vulnerabilities can foster triggers that predispose a woman to respond impulsively and violently toward her child. Comprehensive assessment of vulnerable families is essential for the prevention of fatal and nonfatal abuse. The MFTF may be applied to both crimes.

  14. Robustness - theoretical framework

    DEFF Research Database (Denmark)

    Sørensen, John Dalsgaard; Rizzuto, Enrico; Faber, Michael H.

    2010-01-01

    More frequent use of advanced types of structures with limited redundancy and serious consequences in case of failure combined with increased requirements to efficiency in design and execution followed by increased risk of human errors has made the need of requirements to robustness of new struct...... of this fact sheet is to describe a theoretical and risk based framework to form the basis for quantification of robustness and for pre-normative guidelines....

  15. Electrochemical kinetics theoretical aspects

    CERN Document Server

    Vetter, Klaus J

    1967-01-01

    Electrochemical Kinetics: Theoretical Aspects focuses on the processes, methodologies, reactions, and transformations in electrochemical kinetics. The book first offers information on electrochemical thermodynamics and the theory of overvoltage. Topics include equilibrium potentials, concepts and definitions, electrical double layer and electrocapillarity, and charge-transfer, diffusion, and reaction overvoltage. Crystallization overvoltage, total overvoltage, and resistance polarization are also discussed. The text then examines the methods of determining electrochemical reaction mechanisms

  16. Theoretical Developments in SUSY

    Science.gov (United States)

    Shifman, M.

    2009-01-01

    I am proud that I was personally acquainted with Julius Wess. We first met in 1999 when I was working on the Yuri Golfand Memorial Volume (The Many Faces of the Superworld, World Scientific, Singapore, 2000). I invited him to contribute, and he accepted this invitation with enthusiasm. After that, we met many times, mostly at various conferences in Germany and elsewhere. I was lucky to discuss with Julius questions of theoretical physics, and hear his recollections on how supersymmetry was born. In physics Julius was a visionary, who paved the way to generations of followers. In everyday life he was a kind and modest person, always ready to extend a helping hand to people who were in need of his help. I remember him telling me how concerned he was about the fate of theoretical physicists in Eastern Europe after the demise of communism. His ties with Israeli physicists bore a special character. I am honored by the opportunity to contribute an article to the Julius Wess Memorial Volume. I will review theoretical developments of the recent years in non-perturbative supersymmetry.

  17. Theoretical developments in SUSY

    Energy Technology Data Exchange (ETDEWEB)

    Shifman, M. [University of Minnesota, William I. Fine Theoretical Physics Institute, Minneapolis, MN (United States)

    2009-01-15

    I am proud that I was personally acquainted with Julius Wess. We first met in 1999 when I was working on the Yuri Golfand Memorial Volume (The Many Faces of the Superworld, World Scientific, Singapore, 2000). I invited him to contribute, and he accepted this invitation with enthusiasm. After that, we met many times, mostly at various conferences in Germany and elsewhere. I was lucky to discuss with Julius questions of theoretical physics, and hear his recollections on how supersymmetry was born. In physics Julius was a visionary, who paved the way to generations of followers. In everyday life he was a kind and modest person, always ready to extend a helping hand to people who were in need of his help. I remember him telling me how concerned he was about the fate of theoretical physicists in Eastern Europe after the demise of communism. His ties with Israeli physicists bore a special character. I am honored by the opportunity to contribute an article to the Julius Wess Memorial Volume. I review theoretical developments of the recent years in non-perturbative supersymmetry. (orig.)

  18. Atmospheric Neutrino Predictions and the Influence of Hadron Production

    CERN Document Server

    Robbins, S

    2004-01-01

    The observation of neutrino flavour transformations of atmospheric neutrinos measured in Super-Kamiokande demands a theoretical explanation. The favoured candidate -- neutrino oscillations -- makes detailed predictions for the energy and path length dependence of the flavour transformations. For this reason, neutrino oscillations is a testable theory, which so far is in excellent agreement with the observations. The detailed comparison between the measured neutrino fluxes at Super-Kamiokande and the expected neutrino flux demands accurate predictions. Such predictions are performed with Monte-Carlo based simulations; the simulation of the Bartol group is used for the analyses in this thesis. Most recently the development of fully three-dimensional (3D) atmospheric neutrino calculations has been a significant theoretical improvement to the predicted neutrino fluxes. Older calculations employed the one-dimensional (1D) approximation; a comparison of these techniques is contained herewith. It is shown that above...

  19. Theoretical solid state physics

    CERN Document Server

    Haug, Albert

    2013-01-01

    Theoretical Solid State Physics, Volume 1 focuses on the study of solid state physics. The volume first takes a look at the basic concepts and structures of solid state physics, including potential energies of solids, concept and classification of solids, and crystal structure. The book then explains single-electron approximation wherein the methods for calculating energy bands; electron in the field of crystal atoms; laws of motion of the electrons in solids; and electron statistics are discussed. The text describes general forms of solutions and relationships, including collective electron i

  20. Information theoretic preattentive saliency

    DEFF Research Database (Denmark)

    Loog, Marco

    2011-01-01

    Employing an information theoretic operational definition of bottom-up attention from the field of computational visual perception a very general expression for saliency is provided. As opposed to many of the current approaches to determining a saliency map there is no need for an explicit data...... of which features, image information is described. We illustrate our result by determining a few specific saliency maps based on particular choices of features. One of them makes the link with the mapping underlying well-known Harris interest points, which is a result recently obtained in isolation...

  1. Institute for Theoretical Physics

    Energy Technology Data Exchange (ETDEWEB)

    Giddings, S.B.; Ooguri, H.; Peet, A.W.; Schwarz, J.H.

    1998-06-01

    String theory is the only serious candidate for a unified description of all known fundamental particles and interactions, including gravity, in a single theoretical framework. Over the past two years, activity in this subject has grown rapidly, thanks to dramatic advances in understanding the dynamics of supersymmetric field theories and string theories. The cornerstone of these new developments is the discovery of duality which relates apparently different string theories and transforms difficult strongly coupled problems of one theory into weakly coupled problems of another theory.

  2. Theoretical Optics An Introduction

    CERN Document Server

    Römer, Hartmann

    2004-01-01

    Starting from basic electrodynamics, this volume provides a solid, yet concise introduction to theoretical optics, containing topics such as nonlinear optics, light-matter interaction, and modern topics in quantum optics, including entanglement, cryptography, and quantum computation. The author, with many years of experience in teaching and research, goes way beyond the scope of traditional lectures, enabling readers to keep up with the current state of knowledge. Both content and presentation make it essential reading for graduate and phD students as well as a valuable reference for researche

  3. Theoretical astrophysics an introduction

    CERN Document Server

    Bartelmann, Matthias

    2013-01-01

    A concise yet comprehensive introduction to the central theoretical concepts of modern astrophysics, presenting hydrodynamics, radiation, and stellar dynamics all in one textbook. Adopting a modular structure, the author illustrates a small number of fundamental physical methods and principles, which are sufficient to describe and understand a wide range of seemingly very diverse astrophysical phenomena and processes. For example, the formulae that define the macroscopic behavior of stellar systems are all derived in the same way from the microscopic distribution function. This function it

  4. Theoretical Guidelines for a Psychology of Rural Development

    NARCIS (Netherlands)

    Landini, F.; Long, N.; Leeuwis, C.; Murtagh, S.

    2014-01-01

    Many processes related to rural development have a strong psychosocial component. Yet, there exists no specific psychosocial theoretical framework for addressing them. In this paper, then, we present a set of theoretical guidelines for analysing rural development processes and interventions from the

  5. Valuation theoretic and model theoretic aspects of local uniformization

    OpenAIRE

    Kuhlmann, Franz-Viktor

    2010-01-01

    This paper gives a survey on a valuation theoretical approach to local uniformization in positive characteristic, the model theory of valued fields in positive characteristic, and their connection with the valuation theoretical phenomenon of defect.

  6. Polarization in astronomical spectra - Theoretical evidence

    Science.gov (United States)

    Fymat, A. L.

    1974-01-01

    Theoretical evidence for the existence and behavior of polarization in astronomical spectra is provided. The theory for the study of spectral multiple scattering of arbitrarily polarized light is first developed, and the detailed and integrated spectropolarimetry of a planetary atmosphere is then studied for cases in which the spectra are formed in the presence of either very small nonspherical particles (Rayleigh-Cabannes scattering) or large polydisperse spherical particles (Mie scattering). It is shown in both cases that polarization is indeed present; it increases with the line strength but decreases afterwards as the line becomes very strong and tends to saturation. A polarization reversal is also predicted during latitudinal (pole-to-equator) scan and possibly also during longitudinal (terminator-to-limb) scan of the planet. The reversal happened at all phase angles considered. Our companion article (Forbes and Fymat) will provide observational substantiation to these theoretical predictions.

  7. Theoretical analysis of sheet metal formability

    Science.gov (United States)

    Zhu, Xinhai

    Sheet metal forming processes are among the most important metal-working operations. These processes account for a sizable proportion of manufactured goods made in industrialized countries each year. Furthermore, to reduce the cost and increase the performance of manufactured products, in addition to the environmental concern, more and more light weight and high strength materials have been used as a substitute to the conventional steel. These materials usually have limited formability, thus, a thorough understanding of the deformation processes and the factors limiting the forming of sound parts is important, not only from a scientific or engineering viewpoint, but also from an economic point of view. An extensive review of previous studies pertaining to theoretical analyses of Forming Limit Diagrams (FLDs) is contained in Chapter I. A numerical model to analyze the neck evolution process is outlined in Chapter II. With the use of strain gradient theory, the effect of initial defect profile on the necking process is analyzed. In the third chapter, the method proposed by Storen and Rice is adopted to analyze the initiation of localized neck and predict the corresponding FLDs. In view of the fact that the width of the localized neck is narrow, the deformation inside the neck region is constrained by the material in the neighboring homogeneous region. The relative rotation effect may then be assumed to be small and is thus neglected. In Chapter IV, Hill's 1948 yield criterion and strain gradient theory are employed to obtain FLDs, for planar anisotropic sheet materials by using bifurcation analysis. The effects of the strain gradient coefficient c and the material anisotropic parameters R's on the orientation of the neck and FLDs are analyzed in a systematic manner and compared with experiments. In Chapter V, Hill's 79 non-quadratic yield criterion with a deformation theory of plasticity is used along with bifurcation analyses to derive a general analytical

  8. Theoretical Analysis of Polarized Structure Functions

    CERN Document Server

    Altarelli, Guido; Forte, Stefano; Ridolfi, G

    1998-01-01

    We review the analysis of polarized structure function data using perturbative QCD at next-to-leading order. We use the most recent experimental data to obtain updated results for polarized parton distributions, first moments and the strong coupling. We also discuss several theoretical issues involved in this analysis and in the interpretation of its results. Finally, we compare our results with other similar analyses in the recent literature.

  9. Theoretical physics 3 electrodynamics

    CERN Document Server

    Nolting, Wolfgang

    2016-01-01

    This textbook offers a clear and comprehensive introduction to electrodynamics, one of the core components of undergraduate physics courses. It follows on naturally from the previous volumes in this series. The first part of the book describes the interaction of electric charges and magnetic moments by introducing electro- and magnetostatics. The second part of the book establishes deeper understanding of electrodynamics with the Maxwell equations, quasistationary fields and electromagnetic fields. All sections are accompanied by a detailed introduction to the math needed. Ideally suited to undergraduate students with some grounding in classical and analytical mechanics, the book is enhanced throughout with learning features such as boxed inserts and chapter summaries, with key mathematical derivations highlighted to aid understanding. The text is supported by numerous worked examples and end of chapter problem sets. About the Theoretical Physics series Translated from the renowned and highly successful Germa...

  10. Theoretical physics 5 thermodynamics

    CERN Document Server

    Nolting, Wolfgang

    2017-01-01

    This concise textbook offers a clear and comprehensive introduction to thermodynamics, one of the core components of undergraduate physics courses. It follows on naturally from the previous volumes in this series, defining macroscopic variables, such as internal energy, entropy and pressure,together with thermodynamic principles. The first part of the book introduces the laws of thermodynamics and thermodynamic potentials. More complex themes are covered in the second part of the book, which describes phases and phase transitions in depth. Ideally suited to undergraduate students with some grounding in classical mechanics, the book is enhanced throughout with learning features such as boxed inserts and chapter summaries, with key mathematical derivations highlighted to aid understanding. The text is supported by numerous worked examples and end of chapter problem sets. About the Theoretical Physics series Translated from the renowned and highly successful German editions, the eight volumes of this series cove...

  11. Social Security: Theoretical Aspects

    Directory of Open Access Journals (Sweden)

    O. I. Kashnik

    2013-01-01

    Full Text Available The paper looks at the phenomena of security and social security from the philosophical, sociological and psychological perspective. The undertaken analysis of domestic and foreign scientific materials demonstrates the need for interdisciplinary studies, including pedagogy and education, aimed at developing the guidelines for protecting the social system from destruction. The paper defines the indicators, security level indices and their assessment methods singled out from the analytical reports and security studies by the leading Russian sociological centers and international expert organizations, including the United Nations.The research is aimed at finding out the adequate models of personal and social security control systems at various social levels. The theoretical concepts can be applied by the teachers of the Bases of Life Safety course, the managers and researches developing the assessment criteria and security indices of educational environment evaluation, as well as the methods of diagnostics and expertise of educational establishments from the security standpoint. 

  12. Theoretical Molecular Biophysics

    CERN Document Server

    Scherer, Philipp

    2010-01-01

    "Theoretical Molecular Biophysics" is an advanced study book for students, shortly before or after completing undergraduate studies, in physics, chemistry or biology. It provides the tools for an understanding of elementary processes in biology, such as photosynthesis on a molecular level. A basic knowledge in mechanics, electrostatics, quantum theory and statistical physics is desirable. The reader will be exposed to basic concepts in modern biophysics such as entropic forces, phase separation, potentials of mean force, proton and electron transfer, heterogeneous reactions coherent and incoherent energy transfer as well as molecular motors. Basic concepts such as phase transitions of biopolymers, electrostatics, protonation equilibria, ion transport, radiationless transitions as well as energy- and electron transfer are discussed within the frame of simple models.

  13. New Theoretical Technique for Alloy Design

    Science.gov (United States)

    Ferrante, John

    2005-01-01

    During the last 2 years, there has been a breakthrough in alloy design at the NASA Lewis Research Center. A new semi-empirical theoretical technique for alloys, the BFS Theory (Bozzolo, Ferrante, and Smith), has been used to design alloys on a computer. BFS was used, along with Monte Carlo techniques, to predict the phases of ternary alloys of NiAl with Ti or Cr additions. High concentrations of each additive were used to demonstrate the resulting structures.

  14. Cry1A(b)16 toxin from Bacillus thuringiensis: Theoretical refinement of three-dimensional structure and prediction of peptides as molecular markers for detection of genetically modified organisms.

    Science.gov (United States)

    Plácido, Alexandra; Coelho, Andreia; Abreu Nascimento, Lucas; Gomes Vasconcelos, Andreanne; Fátima Barroso, Maria; Ramos-Jesus, Joilson; Costa, Vladimir; das Chagas Alves Lima, Francisco; Delerue-Matos, Cristina; Martins Ramos, Ricardo; Marani, Mariela M; Roberto de Souza de Almeida Leite, José

    2017-07-01

    Transgenic maize produced by the insertion of the Cry transgene into its genome became the second most cultivated crop worldwide. Cry gene from Bacillus thuringiensis kurstaki expresses protein derivatives of crystalline endotoxins which confer insect resistance onto the maize crop. Mandatory labeling of processed food containing or made by genetically modified organisms is in force in many countries, so, it is very urgent to develop fast and practical methods for GMO identification, for example, biosensors. In the absence of an available empirical structure of Cry1A(b)16 protein, a theoretical model was effectively generated, in this work, by homology modeling and molecular dynamics simulations based on two available homologous protein structures. Molecular dynamics simulations were carried out to refine the selected model, and an analysis of its global structure was performed. The refined models of Cry1A(b)16 showed a standard fold and structural characteristics similar to those seen in Bacillus thuringiensis Cry1A(a) insecticidal toxin and Bacillus thuringiensis serovar kurstaki Cry1A(c) toxin. After in silico analysis of Cry1A(b)16, two immunoreactive candidate peptides were selected and specific polyclonal antibodies were produced resulting in antibody-peptide interaction. Biosensing devices are expected to be developed for detection of the Cry1A(b) protein as a marker of transgenic maize in food. Proteins 2017; 85:1248-1257. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  15. Intellect: a theoretical framework for personality traits related to intellectual achievements.

    Science.gov (United States)

    Mussel, Patrick

    2013-05-01

    The present article develops a theoretical framework for the structure of personality traits related to intellectual achievements. We postulate a 2-dimensional model, differentiating between 2 processes (Seek and Conquer) and 3 operations (Think, Learn, and Create). The framework was operationalized by a newly developed measure, which was validated based on 2 samples. Subsequently, in 3 studies (overall N = 1,478), the 2-dimensional structure of the Intellect framework was generally supported. Additionally, subdimensions of the Intellect framework specifically predicted conceptually related criteria, including scholastic performance, vocational interest, and leisure activities. Furthermore, results from multidimensional scaling and higher order confirmatory factor analyses show that the framework allows for the incorporation of several constructs that have been proposed on different theoretical backgrounds, such as need for cognition, typical intellectual engagement, curiosity, intrinsic motivation, goal orientation, and openness to ideas. It is concluded that based on the Intellect framework, these constructs, which have been researched separately in the literature, can be meaningfully integrated.

  16. Prediction Markets

    DEFF Research Database (Denmark)

    Horn, Christian Franz; Ivens, Bjørn Sven; Ohneberg, Michael

    2014-01-01

    In recent years, Prediction Markets gained growing interest as a forecasting tool among researchers as well as practitioners, which resulted in an increasing number of publications. In order to track the latest development of research, comprising the extent and focus of research, this article...... provides a comprehensive review and classification of the literature related to the topic of Prediction Markets. Overall, 316 relevant articles, published in the timeframe from 2007 through 2013, were identified and assigned to a herein presented classification scheme, differentiating between descriptive...... works, articles of theoretical nature, application-oriented studies and articles dealing with the topic of law and policy. The analysis of the research results reveals that more than half of the literature pool deals with the application and actual function tests of Prediction Markets. The results...

  17. Analysing ESP Texts, but How?

    Directory of Open Access Journals (Sweden)

    Borza Natalia

    2015-03-01

    Full Text Available English as a second language (ESL teachers instructing general English and English for specific purposes (ESP in bilingual secondary schools face various challenges when it comes to choosing the main linguistic foci of language preparatory courses enabling non-native students to study academic subjects in English. ESL teachers intending to analyse English language subject textbooks written for secondary school students with the aim of gaining information about what bilingual secondary school students need to know in terms of language to process academic textbooks cannot avoiding deal with a dilemma. It needs to be decided which way it is most appropriate to analyse the texts in question. Handbooks of English applied linguistics are not immensely helpful with regard to this problem as they tend not to give recommendation as to which major text analytical approaches are advisable to follow in a pre-college setting. The present theoretical research aims to address this lacuna. Respectively, the purpose of this pedagogically motivated theoretical paper is to investigate two major approaches of ESP text analysis, the register and the genre analysis, in order to find the more suitable one for exploring the language use of secondary school subject texts from the point of view of an English as a second language teacher. Comparing and contrasting the merits and limitations of the two contrastive approaches allows for a better understanding of the nature of the two different perspectives of text analysis. The study examines the goals, the scope of analysis, and the achievements of the register perspective and those of the genre approach alike. The paper also investigates and reviews in detail the starkly different methods of ESP text analysis applied by the two perspectives. Discovering text analysis from a theoretical and methodological angle supports a practical aspect of English teaching, namely making an informed choice when setting out to analyse

  18. A Case for Theoretical Integration

    Directory of Open Access Journals (Sweden)

    Jay A. Richards

    2014-05-01

    Full Text Available The present research investigated whether constructs of the Theory of Planned Behavior (TPB and the Extended Parallel Process Model can be integrated into a model that can better explain intentions to exercise than the TPB constructs alone. A total of 336 participants completed measures of constructs from both theories and past exercise behavior. Hierarchical regression analyses revealed that attitudes, subjective norms, susceptibility, self-efficacy, and past behavior contributed unique variance to a model that predicted intentions to exercise. This model explained a greater proportion of the variance in exercise intentions than the TPB alone. Relationships between key variables of both models were also highlighted. Implications for theory and practice are discussed.

  19. Theoretical Approaches to Coping

    Directory of Open Access Journals (Sweden)

    Sofia Zyga

    2013-01-01

    Full Text Available Introduction: Dealing with stress requires conscious effort, it cannot be perceived as equal to individual's spontaneous reactions. The intentional management of stress must not be confused withdefense mechanisms. Coping differs from adjustment in that the latter is more general, has a broader meaning and includes diverse ways of facing a difficulty.Aim: An exploration of the definition of the term "coping", the function of the coping process as well as its differentiation from other similar meanings through a literature review.Methodology: Three theoretical approaches of coping are introduced; the psychoanalytic approach; approaching by characteristics; and the Lazarus and Folkman interactive model.Results: The strategic methods of the coping approaches are described and the article ends with a review of the approaches including the functioning of the stress-coping process , the classificationtypes of coping strategies in stress-inducing situations and with a criticism of coping approaches.Conclusions: The comparison of coping in different situations is difficult, if not impossible. The coping process is a slow process, so an individual may select one method of coping under one set ofcircumstances and a different strategy at some other time. Such selection of strategies takes place as the situation changes.

  20. Towards a theoretical foundation for a multidisciplinary economics

    NARCIS (Netherlands)

    Keizer, P.

    2007-01-01

    This article analyses the primary motives that set people in motion, namely the economic, the social and the psychic motive. By integrating the three basic analyses, we formulate an integrated paradigm and analysis that can flinction as a theoretical basis for a multidisciplinary economics. Orthodox

  1. Dynamics in Higher Education Politics: A Theoretical Model

    Science.gov (United States)

    Kauko, Jaakko

    2013-01-01

    This article presents a model for analysing dynamics in higher education politics (DHEP). Theoretically the model draws on the conceptual history of political contingency, agenda-setting theories and previous research on higher education dynamics. According to the model, socio-historical complexity can best be analysed along two dimensions: the…

  2. Analysing performance through value creation

    Directory of Open Access Journals (Sweden)

    Adrian TRIFAN

    2015-12-01

    Full Text Available This paper draws a parallel between measuring financial performance in 2 variants: the first one using data offered by accounting, which lays emphasis on maximizing profit, and the second one which aims to create value. The traditional approach to performance is based on some indicators from accounting data: ROI, ROE, EPS. The traditional management, based on analysing the data from accounting, has shown its limits, and a new approach is needed, based on creating value. The evaluation of value based performance tries to avoid the errors due to accounting data, by using other specific indicators: EVA, MVA, TSR, CVA. The main objective is shifted from maximizing the income to maximizing the value created for shareholders. The theoretical part is accompanied by a practical analysis regarding the creation of value and an analysis of the main indicators which evaluate this concept.

  3. Theoretically Optimal Distributed Anomaly Detection

    Data.gov (United States)

    National Aeronautics and Space Administration — A novel general framework for distributed anomaly detection with theoretical performance guarantees is proposed. Our algorithmic approach combines existing anomaly...

  4. Sproglig Metode og Analyse

    DEFF Research Database (Denmark)

    le Fevre Jakobsen, Bjarne

    Publikationen indeholder øvematerialer, tekster, powerpointpræsentationer og handouts til undervisningsfaget Sproglig Metode og Analyse på BA og tilvalg i Dansk/Nordisk 2010-2011......Publikationen indeholder øvematerialer, tekster, powerpointpræsentationer og handouts til undervisningsfaget Sproglig Metode og Analyse på BA og tilvalg i Dansk/Nordisk 2010-2011...

  5. Severe accident recriticality analyses (SARA)

    DEFF Research Database (Denmark)

    Frid, W.; Højerup, C.F.; Lindholm, I.

    2001-01-01

    Recriticality in a BWR during reflooding of an overheated partly degraded core, i.e. with relocated control rods, has been studied for a total loss of electric power accident scenario. In order to assess the impact of recriticality on reactor safety, including accident management strategies...... three computer codes and to further develop and adapt them for the task. The codes were SIMULATE-3K, APROS and RECRIT. Recriticality analyses were carried out for a number of selected reflooding transients for the Oskarshamn 3 plant in Sweden with SIMULATE-3K and for the Olkiluoto I plant in Finland...... with all three codes. The core initial and boundary conditions prior to recriticality have been studied with the severe accident codes SCDAP/RELAP5, MELCOR and MAAP4. The results of the analyses show that all three codes predict recriticality-both super-prompt power bursts and quasi steady-state power...

  6. Uncertainty and Sensitivity Analyses Plan

    Energy Technology Data Exchange (ETDEWEB)

    Simpson, J.C.; Ramsdell, J.V. Jr.

    1993-04-01

    Hanford Environmental Dose Reconstruction (HEDR) Project staff are developing mathematical models to be used to estimate the radiation dose that individuals may have received as a result of emissions since 1944 from the US Department of Energy's (DOE) Hanford Site near Richland, Washington. An uncertainty and sensitivity analyses plan is essential to understand and interpret the predictions from these mathematical models. This is especially true in the case of the HEDR models where the values of many parameters are unknown. This plan gives a thorough documentation of the uncertainty and hierarchical sensitivity analysis methods recommended for use on all HEDR mathematical models. The documentation includes both technical definitions and examples. In addition, an extensive demonstration of the uncertainty and sensitivity analysis process is provided using actual results from the Hanford Environmental Dose Reconstruction Integrated Codes (HEDRIC). This demonstration shows how the approaches used in the recommended plan can be adapted for all dose predictions in the HEDR Project.

  7. A matrix risk model for the prediction of rapid radiographic progression in patients with rheumatoid arthritis receiving different dynamic treatment strategies: post hoc analyses from the BeSt study.

    Science.gov (United States)

    Visser, K; Goekoop-Ruiterman, Y P M; de Vries-Bouwstra, J K; Ronday, H K; Seys, P E H; Kerstens, P J S M; Huizinga, T W J; Dijkmans, B A C; Allaart, C F

    2010-07-01

    To develop a matrix model for the prediction of rapid radiographic progression (RRP) in subpopulations of patients with recent-onset rheumatoid arthritis (RA) receiving different dynamic treatment strategies. Data from 465 patients with recent-onset RA randomised to receive initial monotherapy or combination therapy were used. Predictors for RRP (increase in Sharp-van der Heijde score > or =5 after 1 year) were identified by multivariate logistic regression analysis. For subpopulations, the estimated risk of RRP per treatment group and the number needed to treat (NNT) were visualised in a matrix. The presence of autoantibodies, baseline C-reactive protein (CRP) level, erosion score and treatment group were significant independent predictors of RRP in the matrix. Combination therapy was associated with a markedly reduced risk of RRP. The positive and negative predictive values of the matrix were 62% and 91%, respectively. The NNT with initial combination therapy to prevent one patient from RRP with monotherapy was in the range 2-3, 3-7 and 7-25 for patients with a high, intermediate and low predicted risk, respectively. The matrix model visualises the risk of RRP for subpopulations of patients with recent-onset RA if treated dynamically with initial monotherapy or combination therapy. Rheumatologists might use the matrix for weighing their initial treatment choice.

  8. Semen analysis and prediction of natural conception

    National Research Council Canada - National Science Library

    Leushuis, Esther; van der Steeg, Jan Willem; Steures, Pieternel; Repping, Sjoerd; Bossuyt, Patrick M M; Mol, Ben Willem J; Hompes, Peter G A; van der Veen, Fulco

    2014-01-01

    Do two semen analyses predict natural conception better than a single semen analysis and will adding the results of repeated semen analyses to a prediction model for natural pregnancy improve predictions...

  9. Predictive Performance of the Simplified Acute Physiology Score (SAPS II and the Initial Sequential Organ Failure Assessment (SOFA Score in Acutely Ill Intensive Care Patients: Post-Hoc Analyses of the SUP-ICU Inception Cohort Study.

    Directory of Open Access Journals (Sweden)

    Anders Granholm

    Full Text Available Severity scores including the Simplified Acute Physiology Score (SAPS II and the Sequential Organ Failure Assessment (SOFA score are used in intensive care units (ICUs to assess disease severity, predict mortality and in research. We aimed to assess the predictive performance of SAPS II and the initial SOFA score for in-hospital and 90-day mortality in a contemporary international cohort.This was a post-hoc study of the Stress Ulcer Prophylaxis in the Intensive Care Unit (SUP-ICU inception cohort study, which included acutely ill adults from ICUs across 11 countries (n = 1034. We compared the discrimination of SAPS II and initial SOFA scores, compared the discrimination of SAPS II in our cohort with the original cohort, assessed the calibration of SAPS II customised to our cohort, and compared the discrimination for 90-day mortality vs. in-hospital mortality for both scores. Discrimination was evaluated using areas under the receiver operating characteristics curves (AUROC. Calibration was evaluated using Hosmer-Lemeshow's goodness-of-fit Ĉ-statistic.AUROC for in-hospital mortality was 0.80 (95% confidence interval (CI 0.77-0.83 for SAPS II and 0.73 (95% CI 0.69-0.76 for initial SOFA score (P<0.001 for the comparison. Calibration of the customised SAPS II for predicting in-hospital mortality was adequate (P = 0.60. Discrimination of SAPS II was reduced compared with the original SAPS II validation sample (AUROC 0.80 vs. 0.86; P = 0.001. AUROC for 90-day mortality was 0.79 (95% CI 0.76-0.82; P = 0.74 for comparison with in-hospital mortality for SAPS II and 0.71 (95% CI 0.68-0.75; P = 0.66 for comparison with in-hospital mortality for the initial SOFA score.The predictive performance of SAPS II was similar for in-hospital and 90-day mortality and superior to that of the initial SOFA score, but SAPS II's performance has decreased over time. Use of a contemporary severity score with improved predictive performance may be of value.

  10. Theoretical Aspects of the Heavy Quark Expansion

    CERN Document Server

    Uraltsev, Nikolai

    1996-01-01

    I give a brief outline of the theoretical framework for the modern treatment of the strong interaction effects in heavy quark decays, based on first principles of QCD. This model-independent approach is required to meet the precision of current and future experiments. Applications to a few problems of particular practical interest are reviewed, including the precise determination of V_{cb} and V_{ub}. I emphasize the peculiarities of simultaneously accounting for the perturbative and power-suppressed effects necessary for accurate predictions.

  11. Personality traits and achievement motives: theoretical and empirical relations between the NEO Personality Inventory-Revised and the Achievement Motives Scale.

    Science.gov (United States)

    Diseth, Age; Martinsen, Øyvind

    2009-04-01

    Theoretical and empirical relations between personality traits and motive dispositions were investigated by comparing scores of 315 undergraduate psychology students on the NEO Personality Inventory-Revised and the Achievement Motives Scale. Analyses showed all NEO Personality Inventory-Revised factors except agreeableness were significantly correlated with the motive for success and the motive to avoid failure. A structural equation model showed that motive for success was predicted by Extraversion, Openness, Conscientiousness, and Neuroticism (negative relation), and motive to avoid failure was predicted by Neuroticism and Openness (negative relation). Although both achievement motives were predicted by several personality factors, motive for success was most strongly predicted by Openness, and motive to avoid failure was most strongly predicted by neuroticism. These findings extended previous research on the relations of personality traits and achievement motives and provided a basis for the discussion of motive dispositions in personality. The results also added to the construct validity of the Achievement Motives Scale.

  12. Defining and measuring blood donor altruism: a theoretical approach from biology, economics and psychology.

    Science.gov (United States)

    Evans, R; Ferguson, E

    2014-02-01

    While blood donation is traditionally described as a behaviour motivated by pure altruism, the assessment of altruism in the blood donation literature has not been theoretically informed. Drawing on theories of altruism from psychology, economics and evolutionary biology, it is argued that a theoretically derived psychometric assessment of altruism is needed. Such a measure is developed in this study that can be used to help inform both our understanding of the altruistic motives of blood donors and recruitment intervention strategies. A cross-sectional survey (N = 414), with a 1-month behavioural follow-up (time 2, N = 77), was designed to assess theoretically derived constructs from psychological, economic and evolutionary biological theories of altruism. Theory of planned behaviour (TPB) variables and co-operation were also assessed at time 1 and a measure of behavioural co-operation at time 2. Five theoretical dimensions (impure altruism, kinship, self-regarding motives, reluctant altruism and egalitarian warm glow) of altruism were identified through factor analyses. These five altruistic motives differentiated blood donors from non-donors (donors scored higher on impure altruism and reluctant altruism), showed incremental validity over TPB constructs to predict donor intention and predicted future co-operative behaviour. These findings show that altruism in the context of blood donation is multifaceted and complex and, does not reflect pure altruism. This has implication for recruitment campaigns that focus solely on pure altruism. © 2013 The Authors. Vox Sanguinis published by John Wiley & Sons Ltd. on behalf of International Society of Blood Transfusion.

  13. Explaining clinical behaviors using multiple theoretical models

    Directory of Open Access Journals (Sweden)

    Eccles Martin P

    2012-10-01

    Full Text Available Abstract Background In the field of implementation research, there is an increased interest in use of theory when designing implementation research studies involving behavior change. In 2003, we initiated a series of five studies to establish a scientific rationale for interventions to translate research findings into clinical practice by exploring the performance of a number of different, commonly used, overlapping behavioral theories and models. We reflect on the strengths and weaknesses of the methods, the performance of the theories, and consider where these methods sit alongside the range of methods for studying healthcare professional behavior change. Methods These were five studies of the theory-based cognitions and clinical behaviors (taking dental radiographs, performing dental restorations, placing fissure sealants, managing upper respiratory tract infections without prescribing antibiotics, managing low back pain without ordering lumbar spine x-rays of random samples of primary care dentists and physicians. Measures were derived for the explanatory theoretical constructs in the Theory of Planned Behavior (TPB, Social Cognitive Theory (SCT, and Illness Representations specified by the Common Sense Self Regulation Model (CSSRM. We constructed self-report measures of two constructs from Learning Theory (LT, a measure of Implementation Intentions (II, and the Precaution Adoption Process. We collected data on theory-based cognitions (explanatory measures and two interim outcome measures (stated behavioral intention and simulated behavior by postal questionnaire survey during the 12-month period to which objective measures of behavior (collected from routine administrative sources were related. Planned analyses explored the predictive value of theories in explaining variance in intention, behavioral simulation and behavior. Results Response rates across the five surveys ranged from 21% to 48%; we achieved the target sample size for three of

  14. Pathological complete response after neoadjuvant chemotherapy is an independent predictive factor irrespective of simplified breast cancer intrinsic subtypes: a landmark and two-step approach analyses from the EORTC 10994/BIG 1-00 phase III trial.

    Science.gov (United States)

    Bonnefoi, H; Litière, S; Piccart, M; MacGrogan, G; Fumoleau, P; Brain, E; Petit, T; Rouanet, P; Jassem, J; Moldovan, C; Bodmer, A; Zaman, K; Cufer, T; Campone, M; Luporsi, E; Malmström, P; Werutsky, G; Bogaerts, J; Bergh, J; Cameron, D A

    2014-06-01

    Pathological complete response (pCR) following chemotherapy is strongly associated with both breast cancer subtype and long-term survival. Within a phase III neoadjuvant chemotherapy trial, we sought to determine whether the prognostic implications of pCR, TP53 status and treatment arm (taxane versus non-taxane) differed between intrinsic subtypes. Patients were randomized to receive either six cycles of anthracycline-based chemotherapy or three cycles of docetaxel then three cycles of eprirubicin/docetaxel (T-ET). pCR was defined as no evidence of residual invasive cancer (or very few scattered tumour cells) in primary tumour and lymph nodes. We used a simplified intrinsic subtypes classification, as suggested by the 2011 St Gallen consensus. Interactions between pCR, TP53 status, treatment arm and intrinsic subtype on event-free survival (EFS), distant metastasis-free survival (DMFS) and overall survival (OS) were studied using a landmark and a two-step approach multivariate analyses. Sufficient data for pCR analyses were available in 1212 (65%) of 1856 patients randomized. pCR occurred in 222 of 1212 (18%) patients: 37 of 496 (7.5%) luminal A, 22 of 147 (15%) luminal B/HER2 negative, 51 of 230 (22%) luminal B/HER2 positive, 43 of 118 (36%) HER2 positive/non-luminal, 69 of 221(31%) triple negative (TN). The prognostic effect of pCR on EFS did not differ between subtypes and was an independent predictor for better EFS [hazard ratio (HR) = 0.40, P analysis. EORTC 10994/BIG 1-00 Trial registration number NCT00017095. © The Author 2014. Published by Oxford University Press on behalf of the European Society for Medical Oncology. All rights reserved. For permissions, please email: journals.permissions@oup.com.

  15. Laser Beam Focus Analyser

    DEFF Research Database (Denmark)

    Nielsen, Peter Carøe; Hansen, Hans Nørgaard; Olsen, Flemming Ove

    2007-01-01

    The quantitative and qualitative description of laser beam characteristics is important for process implementation and optimisation. In particular, a need for quantitative characterisation of beam diameter was identified when using fibre lasers for micro manufacturing. Here the beam diameter limits...... the obtainable features in direct laser machining as well as heat affected zones in welding processes. This paper describes the development of a measuring unit capable of analysing beam shape and diameter of lasers to be used in manufacturing processes. The analyser is based on the principle of a rotating...... mechanical wire being swept through the laser beam at varying Z-heights. The reflected signal is analysed and the resulting beam profile determined. The development comprised the design of a flexible fixture capable of providing both rotation and Z-axis movement, control software including data capture...

  16. IMI - Oral biopharmaceutics tools project - Evaluation of bottom-up PBPK prediction success part 3: Identifying gaps in system parameters by analysing In Silico performance across different compound classes.

    Science.gov (United States)

    Darwich, Adam S; Margolskee, Alison; Pepin, Xavier; Aarons, Leon; Galetin, Aleksandra; Rostami-Hodjegan, Amin; Carlert, Sara; Hammarberg, Maria; Hilgendorf, Constanze; Johansson, Pernilla; Karlsson, Eva; Murphy, Dónal; Tannergren, Christer; Thörn, Helena; Yasin, Mohammed; Mazuir, Florent; Nicolas, Olivier; Ramusovic, Sergej; Xu, Christine; Pathak, Shriram M; Korjamo, Timo; Laru, Johanna; Malkki, Jussi; Pappinen, Sari; Tuunainen, Johanna; Dressman, Jennifer; Hansmann, Simone; Kostewicz, Edmund; He, Handan; Heimbach, Tycho; Wu, Fan; Hoft, Carolin; Pang, Yan; Bolger, Michael B; Huehn, Eva; Lukacova, Viera; Mullin, James M; Szeto, Ke X; Costales, Chester; Lin, Jian; McAllister, Mark; Modi, Sweta; Rotter, Charles; Varma, Manthena; Wong, Mei; Mitra, Amitava; Bevernage, Jan; Biewenga, Jeike; Van Peer, Achiel; Lloyd, Richard; Shardlow, Carole; Langguth, Peter; Mishenzon, Irina; Nguyen, Mai Anh; Brown, Jonathan; Lennernäs, Hans; Abrahamsson, Bertil

    2017-01-01

    Three Physiologically Based Pharmacokinetic software packages (GI-Sim, Simcyp® Simulator, and GastroPlus™) were evaluated as part of the Innovative Medicine Initiative Oral Biopharmaceutics Tools project (OrBiTo) during a blinded "bottom-up" anticipation of human pharmacokinetics. After data analysis of the predicted vs. measured pharmacokinetics parameters, it was found that oral bioavailability (Foral) was underpredicted for compounds with low permeability, suggesting improper estimates of intestinal surface area, colonic absorption and/or lack of intestinal transporter information. Foral was also underpredicted for acidic compounds, suggesting overestimation of impact of ionisation on permeation, lack of information on intestinal transporters, or underestimation of solubilisation of weak acids due to less than optimal intestinal model pH settings or underestimation of bile micelle contribution. Foral was overpredicted for weak bases, suggesting inadequate models for precipitation or lack of in vitro precipitation information to build informed models. Relative bioavailability was underpredicted for both high logP compounds as well as poorly water-soluble compounds, suggesting inadequate models for solubility/dissolution, underperforming bile enhancement models and/or lack of biorelevant solubility measurements. These results indicate areas for improvement in model software, modelling approaches, and generation of applicable input data. However, caution is required when interpreting the impact of drug-specific properties in this exercise, as the availability of input parameters was heterogeneous and highly variable, and the modellers generally used the data "as is" in this blinded bottom-up prediction approach. Copyright © 2016 Elsevier B.V. All rights reserved.

  17. Theoretical Systematization of Research Competence

    National Research Council Canada - National Science Library

    Odiel Estrada Molina

    2014-01-01

    .... The objective of this paper is to prepare a theoretical systematization of the years 1999-2013 using the existing research projects regarding the acquisition and development of research competence...

  18. Theoretical Foundations of Learning Communities

    Science.gov (United States)

    Jessup-Anger, Jody E.

    2015-01-01

    This chapter describes the historical and contemporary theoretical underpinnings of learning communities and argues that there is a need for more complex models in conceptualizing and assessing their effectiveness.

  19. Theoretical principles and methods of lingvopersonology

    Directory of Open Access Journals (Sweden)

    Danylyuk Illya

    2016-08-01

    Full Text Available Background: The relevance of our research, above all, is theoretically motivated by the development of extraordinary scientific and practical interest in the possibilities of language processing of huge amount of data generated by people in everyday professional and personal life in the electronic forms of communication (e-mail, sms, voice, audio and video blogs, social networks, etc.. Purpose: The purpose of the article is to study and summarize theoretical principles of lingvopersonology to implement fundamental research: modeling specific linguistic identity by means of modern information technology. Results: Lingvopersonology developed some great theoretical foundations, its methods, tools, and significant achievements let us predict that the newest promising trend is a linguistic identity modeling by means of information technology, including language. We see three aspects of the modeling: 1 modeling the semantic level of linguistic identity – by means of the use of corpus linguistics; 2 sound level formal modeling of linguistic identity – with the help of speech synthesis; 3 formal graphic level modeling of linguistic identity – with the help of image synthesis (handwriting. Discussion: The project "Communicative-pragmatic, discourse, and grammatical lingvopersonology: structuring linguistic identity and computer modeling", which is implementing by the Department of General and Applied Linguistics and Slavonic philology, selected a task to model Yuriy Shevelyov (Sherekh’ language identity. A text corpus and audio corpus are being built, some samples of scientist’s handwriting are collected.

  20. Theoretical prediction and experimental verification of light-load ...

    Indian Academy of Sciences (India)

    This paper presents the small-signal stability analysis of an 11-kW open-loop inverter-fed induction motor drive, including the effect of inverter dead-time. The analysis is carried out using an improved smallsignal model of the drive that has been reported in literature recently, and is used to demonstrate small-signal ...

  1. Generic Theoretical Models to Predict Division Patterns of Cleaving Embryos

    OpenAIRE

    Pierre, Anaëlle; Sallé, Jérémy; Wühr, Martin; Minc, Nicolas

    2016-01-01

    International audience; Life for all animals starts with a precise 3D choreography of reductive divisions of the fertilized egg, known as cleavage patterns. These patterns exhibit conserved geometrical features and striking interspecies invariance within certain animal classes. To identify the generic rules that may govern these morphogenetic events, we developed a 3D-modeling framework that iteratively infers blastomere division positions and orientations, and consequent multicellular arrang...

  2. Predicting abnormal reservoir pressures using offset dependent reflectivity: theoretical considerations

    Energy Technology Data Exchange (ETDEWEB)

    Al-Ghamdi, M.A.; Jaradet, R.A.; Thomsen, R.O. [Texas A and M University, Colege Station, TX (United States). Dept. of Geology and Geophysics

    1998-12-31

    The concept of using amplitude variations with offset (AVO) for the direct detection of hydrocarbons was introduced to the oil and gas industry in the early eighties. In the late eighties Rutherford and Williams proposed a model representing different classes in normally pressured gas sand formations. In this paper, a model for the AVO response for overpressured clastic formations is proposed based on the rationale that abnormally high pore fluid pressure leaves its own pronounced effects on clastic formations: such as abrupt increase in porosities, decrease in interval velocities, high fluid content, and lower bulk densities. The results suggest that a characteristic polarity reversal from negative to positive reflection coefficients can be observed as the offset increases. (author)

  3. Prediction and Theoretical Investigation of the Morphology of ...

    African Journals Online (AJOL)

    interplanar spacing of the crystal lattice based merely on crystal lattice geometry. In 1955,. Hartman and ... face [1], requiring the determination of the lattice and slice energies for calculation of the attachment energy in .... Givand JC, Rousseau RW, Ludovice PJ. Characterization of L-isoleucine crystal morphology from ...

  4. Theoretical prediction and experimental verification of light-load ...

    Indian Academy of Sciences (India)

    Anirudh Guha

    Inverter dead-time is known to cause an error voltage pulse in each switching cycle, the polarity of which depends on the load current polarity [12, 13]. The switching-cycle average of this error voltage is seen to be a square wave over a fundamental cycle; the polarity of this square wave depends on the sign or polarity of the.

  5. Meta-analyses

    NARCIS (Netherlands)

    Hendriks, Maria A.; Luyten, Johannes W.; Scheerens, Jaap; Sleegers, P.J.C.; Scheerens, J

    2014-01-01

    In this chapter results of a research synthesis and quantitative meta-analyses of three facets of time effects in education are presented, namely time at school during regular lesson hours, homework, and extended learning time. The number of studies for these three facets of time that could be used

  6. Contesting Citizenship: Comparative Analyses

    DEFF Research Database (Denmark)

    Siim, Birte; Squires, Judith

    2007-01-01

    importance of particularized experiences and multiple ineequality agendas). These developments shape the way citizenship is both practiced and analysed. Mapping neat citizenship modles onto distinct nation-states and evaluating these in relation to formal equality is no longer an adequate approach...

  7. Analysing Access Control Specifications

    DEFF Research Database (Denmark)

    Probst, Christian W.; Hansen, René Rydhof

    2009-01-01

    . Recent events have revealed intimate knowledge of surveillance and control systems on the side of the attacker, making it often impossible to deduce the identity of an inside attacker from logged data. In this work we present an approach that analyses the access control configuration to identify the set...

  8. Chromosome analyses in dogs.

    Science.gov (United States)

    Reimann-Berg, N; Bullerdiek, J; Murua Escobar, H; Nolte, I

    2012-01-01

    Cytogenetics is the study of normal and abnormal chromosomes. Every species is characterized by a given number of chromosomes that can be recognized by their specific shape. The chromosomes are arranged according to standard classification schemes for the respective species. While pre- and postnatal chromosome analyses investigate the constitutional karyotype, tumor cytogenetics is focused on the detection of clonal acquired, tumor-associated chromosome aberrations. Cytogenetic investigations in dogs are of great value especially for breeders dealing with fertility problems within their pedigrees, for veterinarians and last but not least for the dog owners. Dogs and humans share a variety of genetic diseases, including cancer. Thus, the dog has become an increasingly important model for genetic diseases. However, cytogenetic analyses of canine cells are complicated by the complex karyotype of the dog. Only just 15 years ago, a standard classification scheme for the complete canine karyotype was established. For chromosome analyses of canine cells the same steps of chromosome preparation are used as in human cytogenetics. There are few reports about cytogenetic changes in non-neoplastic cells, involving predominantly the sex chromosomes. Cytogenetic analyses of different entities of canine tumors revealed that, comparable to human tumors, tumors of the dog are often characterized by clonal chromosome aberrations, which might be used as diagnostic and prognostic markers. The integration of modern techniques (molecular genetic approaches, adaptive computer programs) will facilitate and complete conventional cytogenetic studies. However, conventional cytogenetics is still non-replaceable.

  9. Report sensory analyses veal

    NARCIS (Netherlands)

    Veldman, M.; Schelvis-Smit, A.A.M.

    2005-01-01

    On behalf of a client of Animal Sciences Group, different varieties of veal were analyzed by both instrumental and sensory analyses. The sensory evaluation was performed with a sensory analytical panel in the period of 13th of May and 31st of May, 2005. The three varieties of veal were: young bull,

  10. Filmstil - teori og analyse

    DEFF Research Database (Denmark)

    Hansen, Lennard Højbjerg

    Filmstil påvirker på afgørende vis vores oplevelse af film. Men filmstil, måden, de levende billeder organiserer fortællingen på fylder noget mindre end filmens handling, når vi taler om film. Filmstil - teori og analyse er en rigt eksemplificeret præsentation, kritik og videreudvikling af...

  11. Dropped object protection analyses

    OpenAIRE

    Nilsen, Ingve

    2014-01-01

    Master's thesis in Offshore structural engineering Impact from dropped object is a typical accident action (NOKSOK N-004, 2013). Hence, the DOP structure is to be analyzed in an accidental limit state (ALS) design practice, which means that a non-linear finite element analysis can be applied. The DOP structure will be based on a typical DOP structure. Several FEM analyses are performed for the DOP structure. Different shapes size and weights and various impact positions are used for si...

  12. Biomass feedstock analyses

    Energy Technology Data Exchange (ETDEWEB)

    Wilen, C.; Moilanen, A.; Kurkela, E. [VTT Energy, Espoo (Finland). Energy Production Technologies

    1996-12-31

    The overall objectives of the project `Feasibility of electricity production from biomass by pressurized gasification systems` within the EC Research Programme JOULE II were to evaluate the potential of advanced power production systems based on biomass gasification and to study the technical and economic feasibility of these new processes with different type of biomass feed stocks. This report was prepared as part of this R and D project. The objectives of this task were to perform fuel analyses of potential woody and herbaceous biomasses with specific regard to the gasification properties of the selected feed stocks. The analyses of 15 Scandinavian and European biomass feed stock included density, proximate and ultimate analyses, trace compounds, ash composition and fusion behaviour in oxidizing and reducing atmospheres. The wood-derived fuels, such as whole-tree chips, forest residues, bark and to some extent willow, can be expected to have good gasification properties. Difficulties caused by ash fusion and sintering in straw combustion and gasification are generally known. The ash and alkali metal contents of the European biomasses harvested in Italy resembled those of the Nordic straws, and it is expected that they behave to a great extent as straw in gasification. Any direct relation between the ash fusion behavior (determined according to the standard method) and, for instance, the alkali metal content was not found in the laboratory determinations. A more profound characterisation of the fuels would require gasification experiments in a thermobalance and a PDU (Process development Unit) rig. (orig.) (10 refs.)

  13. Theoretically optimal turbine resistance in very large wind farms

    Science.gov (United States)

    Zapata, Alejandro; Nishino, Takafumi; Delafin, Pierre-Luc

    2017-05-01

    In this paper we further investigate and validate the novel theoretical model of very large wind farms proposed recently by Nishino (J. Phys.: Conf. Ser. 753, 032054, 2016). One of the key features of the Nishino model is that a theoretically optimal turbine resistance (as well as optimal ‘turbine-scale’ and ‘farm-scale’ wind speed reduction rates) can be predicted analytically as a function of the farm density and the natural bottom friction observed before constructing the farm. To validate this theoretical model, a new set of 3D Reynolds-averaged Navier-Stokes (RANS) simulations are performed of a fully developed wind farm boundary layer over an aligned and staggered array of actuator discs with various disc resistance, inter-disc spacing and bottom roughness values. The results show that the theoretical model, which employs only one empirical model parameter, can be easily calibrated to predict very well the performance of various staggered arrays of actuator discs. This suggests the usefulness of the theoretical model not only for providing an upper limit to the performance of ideal large arrays but also for predicting the performance of realistic large arrays. The results also highlight the important fact that the optimal turbine resistance can be significantly smaller in a dense wind farm than in a sparse wind farm.

  14. How Is RAN Related to Reading Fluency? A Comprehensive Examination of the Prominent Theoretical Accounts

    Science.gov (United States)

    Papadopoulos, Timothy C.; Spanoudis, George C.; Georgiou, George K.

    2016-01-01

    We examined the prominent theoretical explanations of the RAN-reading relationship in a relatively transparent language (Greek) in a sample of children (n = 286) followed from Grade 1 to Grade 2. Specifically, we tested the fit of eight different models, as defined by the type of reading performance predicted (oral vs. silent word reading fluency), the type of RAN tasks (non-alphanumeric vs. alphanumeric), and the RAN effects (direct vs. indirect). Working memory, attention, processing speed, and motor skills were used as “common cause” variables predicting both RAN and reading fluency and phonological awareness and orthographic processing were used as mediators of RAN's effects on reading fluency. The findings of both concurrent and longitudinal analyses indicated that RAN is a unique predictor of oral reading fluency, but not silent reading fluency. Using alphanumeric or non-alphanumeric RAN did not particularly affect the RAN-reading relationship. Both phonological awareness and orthographic processing partly mediated RAN's effects on reading fluency. Theoretical implications of these findings are discussed. PMID:27605918

  15. How is RAN Related to Reading Fluency? A Comprehensive Examination of the Prominent Theoretical Accounts

    Directory of Open Access Journals (Sweden)

    TIMOTHY C PAPADOPOULOS

    2016-08-01

    Full Text Available We examined the prominent theoretical explanations of the RAN-reading relationship in a relatively transparent language (Greek in a sample of children (n= 286 followed from Grade 1 to Grade 2. Specifically, we tested the fit of eight different models, as defined by the type of reading performance predicted (oral vs. silent word reading fluency, the type of RAN tasks (non-alphanumeric vs. alphanumeric, and the RAN effects (direct vs. indirect. Working memory, attention, processing speed, and motor skills were used as common cause variables predicting both RAN and reading fluency and phonological awareness and orthographic processing were used as mediators of RAN’s effects on reading fluency. The findings of both concurrent and longitudinal analyses indicated that RAN is a unique predictor of oral reading fluency, but not silent reading fluency. Using alphanumeric or non-alphanumeric RAN did not particularly affect the RAN-reading relationship. Both phonological awareness and orthographic processing partly mediated RAN’s effects on reading fluency. Theoretical implications of these findings are discussed.

  16. How Is RAN Related to Reading Fluency? A Comprehensive Examination of the Prominent Theoretical Accounts.

    Science.gov (United States)

    Papadopoulos, Timothy C; Spanoudis, George C; Georgiou, George K

    2016-01-01

    We examined the prominent theoretical explanations of the RAN-reading relationship in a relatively transparent language (Greek) in a sample of children (n = 286) followed from Grade 1 to Grade 2. Specifically, we tested the fit of eight different models, as defined by the type of reading performance predicted (oral vs. silent word reading fluency), the type of RAN tasks (non-alphanumeric vs. alphanumeric), and the RAN effects (direct vs. indirect). Working memory, attention, processing speed, and motor skills were used as "common cause" variables predicting both RAN and reading fluency and phonological awareness and orthographic processing were used as mediators of RAN's effects on reading fluency. The findings of both concurrent and longitudinal analyses indicated that RAN is a unique predictor of oral reading fluency, but not silent reading fluency. Using alphanumeric or non-alphanumeric RAN did not particularly affect the RAN-reading relationship. Both phonological awareness and orthographic processing partly mediated RAN's effects on reading fluency. Theoretical implications of these findings are discussed.

  17. Meehl's contribution to clinical versus statistical prediction.

    Science.gov (United States)

    Grove, William M; Lloyd, Martin

    2006-05-01

    Paul E. Meehl's work on the clinical versus statistical prediction controversy is reviewed. His contributions included the following: putting the controversy center stage in applied psychology; clarifying concepts underpinning the debate (especially his crucial distinction between ways of gathering data and ways of combining them) as well as establishing that the controversy was real and not concocted, analyzing clinical inference from both theoretical and probabilistic points of view, and reviewing studies that compared the accuracy of these 2 methods of data combination. Meehl's (1954/1996) conclusion that statistical prediction consistently outperforms clinical judgment has stood up extremely well for half a century. His conceptual analyses have not been significantly improved since he published them in the 1950s and 1960s. His work in this area contains several citation classics, which are part of the working knowledge of all competent applied psychologists today.

  18. Theoretical mechanics for sixth forms

    CERN Document Server

    Plumpton, C

    1971-01-01

    Theoretical Mechanics for Sixth Forms, Second Edition is a 14-chapter book that begins by elucidating the nature of theoretical mechanics. The book then describes the statics of a particle in illustration of the techniques of handling vector quantities. Subsequent chapters focus on the principle of moments, parallel forces and centers of gravity; and the application of Newton's second law to the dynamics of a particle and the ideas of work and energy, impulse and momentum, and power. The concept of friction is also explained. This volume concludes with chapters concerning motion in a circle an

  19. Theoretical chemistry advances and perspectives

    CERN Document Server

    Eyring, Henry

    1977-01-01

    Theoretical Chemistry: Advances and Perspectives, Volume 2 covers all aspects of theoretical chemistry.This book reviews the techniques that have been proven successful in the study of interatomic potentials in order to describe the interactions between complex molecules. The ground state properties of the interacting electron gas when a magnetic field is present are also elaborated, followed by a discussion on the Gellman-Brueckner-Macke theory of the correlation energy that has applications in atomic and molecular systems.This volume considers the instability of the Hartree-Fock ground state

  20. Mechanics lectures on theoretical physics

    CERN Document Server

    Sommerfeld, Arnold Johannes Wilhelm

    1952-01-01

    Mechanics: Lectures on Theoretical Physics, Volume I covers a general course on theoretical physics. The book discusses the mechanics of a particle; the mechanics of systems; the principle of virtual work; and d'alembert's principle. The text also describes oscillation problems; the kinematics, statics, and dynamics of a rigid body; the theory of relative motion; and the integral variational principles of mechanics. Lagrange's equations for generalized coordinates and the theory of Hamilton are also considered. Physicists, mathematicians, and students taking Physics courses will find the book

  1. Game Theoretic Analysis of Road Traffic Problems in Nigeria (Pp ...

    African Journals Online (AJOL)

    User

    2011-05-20

    May 20, 2011 ... problems in Nigeria are analysed in the context of a social dilemma. Game theoretic models based on ... and distress surrounding environmental issues can be traced to decisions that were never consciously ... might lead to recommendations to solve social dilemmas in society. The literature distinguishes ...

  2. A bidirectional Optimality Theoretic analysis of multiple negative ...

    African Journals Online (AJOL)

    IT

    A bidirectional Optimality Theoretic analysis of multiple negative indefinites in Afrikaans http://spil.journals.ac.za. 139 negative indefinites (MNIs), expressing a single negation, as illustrated by the sentences in (2). In such cases, the interpretation of MNIs can be analysed through resumptive quantification. (De Swart and ...

  3. The State and the Quality Agenda: A Theoretical Approach

    Science.gov (United States)

    Filippakou, Ourania; Tapper, Ted

    2010-01-01

    This article adopts a theoretical approach to analyse the evolution of the quality agenda in English higher education. Using the concept of reification, it shows how the quasi-state has attempted to build a "natural" understanding of the idea of quality. However, the policy implementation process has demonstrated the fragility of the…

  4. Lifelong education of a preschool educational establishment teacher: theoretical aspect

    Directory of Open Access Journals (Sweden)

    Людмила Зіновіївна Мінда

    2015-06-01

    Full Text Available The article deals with the issue of continuous professional development of preschool educational establishment teachers considering challenges in the modern information society. The author analyses theoretical aspects of the concept of preschool teachers’ lifelong education, particularly in the postgraduate education system. The author outlines the problems and prospects of adult education development in Ukraine

  5. Game Theoretic Analysis of Road Traffic Problems in Nigeria (Pp ...

    African Journals Online (AJOL)

    User

    2011-05-20

    May 20, 2011 ... problems in Nigeria are analysed in the context of a social dilemma. Game theoretic models based on the famous prisoner/commons dilemma game were used for the ... the computer, is a situation in which participants choose between cooperative ... problems is that it affects the economy negatively.

  6. What is value for food retail chains? Theoretical aspects

    DEFF Research Database (Denmark)

    Skytte, Hans

    2000-01-01

    It is a well-established fact that creating value for customers (in the eyes of the customers) is a very important source of competitive advantage. But, no researchers have analysed or defined what retail chains mean by value. Therefore, in this study, building on a solid theoretical background, ......, a definition of 'retailer value' is proposed....

  7. What is value for food retail chains? Theoretical aspects

    DEFF Research Database (Denmark)

    Skytte, Hans

    It is a well-established fact that creating value for customers (in the eyes of the customers) is a very important source of competitive advantage. But, no researchers have analysed or defined what retail chains mean by value. Therefore, in this study, building on a solid theoretical background, ......, a definition of 'retailer value' is proposed....

  8. Unification of theoretical approaches for epidemic spreading on complex networks.

    Science.gov (United States)

    Wang, Wei; Tang, Ming; Eugene Stanley, H; Braunstein, Lidia A

    2017-03-01

    Models of epidemic spreading on complex networks have attracted great attention among researchers in physics, mathematics, and epidemiology due to their success in predicting and controlling scenarios of epidemic spreading in real-world scenarios. To understand the interplay between epidemic spreading and the topology of a contact network, several outstanding theoretical approaches have been developed. An accurate theoretical approach describing the spreading dynamics must take both the network topology and dynamical correlations into consideration at the expense of increasing the complexity of the equations. In this short survey we unify the most widely used theoretical approaches for epidemic spreading on complex networks in terms of increasing complexity, including the mean-field, the heterogeneous mean-field, the quench mean-field, dynamical message-passing, link percolation, and pairwise approximation. We build connections among these approaches to provide new insights into developing an accurate theoretical approach to spreading dynamics on complex networks.

  9. A theoretical approach for the assessment of intralaminar fracture ...

    Indian Academy of Sciences (India)

    Analytical evaluation of fracture toughness of a multilayered composite laminate was well-established using modified crack closure integral (MCCI) approach based on test data on the failure load. For this purpose the crack initiation direction, which is treated as a branch crack direction for the theoretical prediction, ...

  10. Analysing H(z) data using two-point diagnostics

    Science.gov (United States)

    Leaf, Kyle; Melia, Fulvio

    2017-09-01

    Measurements of the Hubble constant H(z) are increasingly being used to test the expansion rate predicted by various cosmological models. But the recent application of two-point diagnostics, such as Om(zI, zj) and Omh2(zI, zj), has produced considerable tension between ΛCDM's predictions and several observations, with other models faring even worse. Part of this problem is attributable to the continued mixing of truly model-independent measurements using the cosmic-chronometer approach, and model-dependent data extracted from baryon acoustic oscillations. In this paper, we advance the use of two-point diagnostics beyond their current status, and introduce new variations, which we call Δh(zI, zj), that are more useful for model comparisons. But we restrict our analysis exclusively to cosmic-chronometer data, which are truly model independent. Even for these measurements, however, we confirm the conclusions drawn by earlier workers that the data have strongly non-Gaussian uncertainties, requiring the use of both 'median' and 'mean' statistical approaches. Our results reveal that previous analyses using two-point diagnostics greatly underestimated the errors, thereby misinterpreting the level of tension between theoretical predictions and H(z) data. Instead, we demonstrate that as of today, only Einstein-de Sitter is ruled out by the two-point diagnostics at a level of significance exceeding ˜3σ. The Rh = ct universe is slightly favoured over the remaining models, including Lambda cold dark matter and Chevalier-Polarski-Linder, though all of them (other than Einstein-de Sitter) are consistent to within 1σ with the measured mean of the Δh(zI, zj) diagnostics.

  11. Asking Research Questions: Theoretical Presuppositions

    Science.gov (United States)

    Tenenberg, Josh

    2014-01-01

    Asking significant research questions is a crucial aspect of building a research foundation in computer science (CS) education. In this article, I argue that the questions that we ask are shaped by internalized theoretical presuppositions about how the social and behavioral worlds operate. And although such presuppositions are essential in making…

  12. Theoretical Linguistics And Multilingualism Research

    African Journals Online (AJOL)

    KATEVG

    and Garfunkel who released the legendary song with the singular bridge over forty years ago):. • It tries to construct a bridge between the concerns of theoretical linguistics and ...... Four types of morpheme: Evidence from aphasia, code switching, and second-language acquisition. Linguistics 38: 1053-1100. Newmeyer, F.J. ...

  13. Number theoretical foundations in cryptography

    Science.gov (United States)

    Atan, Kamel Ariffin Mohd

    2017-08-01

    In recent times the hazards in relationships among entities in different establishments worldwide have generated exciting developments in cryptography. Central to this is the theory of numbers. This area of mathematics provides very rich source of fundamental materials for constructing secret codes. Some number theoretical concepts that have been very actively used in designing crypto systems will be highlighted in this presentation. This paper will begin with introduction to basic number theoretical concepts which for many years have been thought to have no practical applications. This will include several theoretical assertions that were discovered much earlier in the historical development of number theory. This will be followed by discussion on the "hidden" properties of these assertions that were later exploited by designers of cryptosystems in their quest for developing secret codes. This paper also highlights some earlier and existing cryptosystems and the role played by number theoretical concepts in their constructions. The role played by cryptanalysts in detecting weaknesses in the systems developed by cryptographers concludes this presentation.

  14. Theoretical Aspects of Particle Production

    CERN Document Server

    Webber, B.R.

    1999-01-01

    These lectures describe some of the latest data on particle production in high-energy collisions and compare them with theoretical calculations and models based on QCD. The main topics covered are: fragmentation functions and factorization, small-x fragmentation, hadronization models, differences between quark and gluon fragmentation, current and target fragmentation in deep inelastic scattering, and heavy quark fragmentation.

  15. Data, Methods, and Theoretical Implications

    Science.gov (United States)

    Hannagan, Rebecca J.; Schneider, Monica C.; Greenlee, Jill S.

    2012-01-01

    Within the subfields of political psychology and the study of gender, the introduction of new data collection efforts, methodologies, and theoretical approaches are transforming our understandings of these two fields and the places at which they intersect. In this article we present an overview of the research that was presented at a National…

  16. Theoretical Approaches to Political Communication.

    Science.gov (United States)

    Chesebro, James W.

    Political communication appears to be emerging as a theoretical and methodological academic area of research within both speech-communication and political science. Five complimentary approaches to political science (Machiavellian, iconic, ritualistic, confirmational, and dramatistic) may be viewed as a series of variations which emphasize the…

  17. THEORETICAL APPROACHES IN INTERNATIONAL RELATIONS ...

    African Journals Online (AJOL)

    plt

    constitutes a distinctive 'lens' on world affairs.9 The question can be raised as to how, and if, theoretical approaches in IR can contribute to an improved understanding of the role and functions of militaries. There are concrete or specific theories, such as Realism, but not even realist theories guarantee a clear and accurate.

  18. DESIGNERLY WAYS TO THEORETICAL INSIGHT

    DEFF Research Database (Denmark)

    Bang, Anne Louise; Gelting, Anne Katrine Gøtzsche; Friis, Silje Alberthe Kamille

    2014-01-01

    This paper set out to investigate how design students learn from visualising theory in design education. The exploration rests on the assumption that the application of tools and techniques from design practice supports design students with an entrance to the theoretical part of the field. The pa...... information and concepts in ways that are personally meaningful to them....

  19. Lightning Talks 2015: Theoretical Division

    Energy Technology Data Exchange (ETDEWEB)

    Shlachter, Jack S. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-11-25

    This document is a compilation of slides from a number of student presentations given to LANL Theoretical Division members. The subjects cover the range of activities of the Division, including plasma physics, environmental issues, materials research, bacterial resistance to antibiotics, and computational methods.

  20. Teaching Theoretical Criminology to Undergraduates.

    Science.gov (United States)

    Williams, James L.; And Others

    1995-01-01

    Maintains that U.S. society's emphasis on individuality and pragmatism renders theoretical study of criminal deviance difficult for many students. Presents a structured approach to this problem that includes an emphasis on practical applications, comparative analysis, analytical skills, and the substantive content of theories. Describes teaching…

  1. Genetic Prediction.

    Science.gov (United States)

    Turkheimer, Eric

    2015-01-01

    The fundamental reason that the genetics of behavior has remained so controversial for so long is that the layer of theory between data and their interpretation is thicker and more opaque than in more established areas of science. The finding that variations in tiny snippets of DNA have small but detectable relations to variation in behavior surprises no one, at least no one who was paying attention to the twin studies. How such snippets of DNA are related to differences in behavior-known as the gene-to-behavior pathway-is the great theoretical problem of modern behavioral genetics. Given that intentional human breeding is a horrific prospect, what kind of technology might we want (or fear) out of human behavioral genetics? One possibility is a technology that could predict important behavioral characteristics of humans based on their genomes alone. A moment's thought suggests significant benefits and risks that might be associated with such a possibility, but for the moment, just consider how convincing it would be if on the day of a baby's birth we could make meaningful predictions about whether he or she would become a concert pianist or an alcoholic. This article will consider where we are right now as regards that possibility, using human height and intelligence as the primary examples. © 2015 The Hastings Center.

  2. EEG analyses with SOBI.

    Energy Technology Data Exchange (ETDEWEB)

    Glickman, Matthew R.; Tang, Akaysha (University of New Mexico, Albuquerque, NM)

    2009-02-01

    The motivating vision behind Sandia's MENTOR/PAL LDRD project has been that of systems which use real-time psychophysiological data to support and enhance human performance, both individually and of groups. Relevant and significant psychophysiological data being a necessary prerequisite to such systems, this LDRD has focused on identifying and refining such signals. The project has focused in particular on EEG (electroencephalogram) data as a promising candidate signal because it (potentially) provides a broad window on brain activity with relatively low cost and logistical constraints. We report here on two analyses performed on EEG data collected in this project using the SOBI (Second Order Blind Identification) algorithm to identify two independent sources of brain activity: one in the frontal lobe and one in the occipital. The first study looks at directional influences between the two components, while the second study looks at inferring gender based upon the frontal component.

  3. Analyse af elbilers forbrug

    DEFF Research Database (Denmark)

    Andersen, Ove; Krogh, Benjamin Bjerre; Torp, Kristian

    2014-01-01

    Denne rapport undersøger GPS og CAN bus datagrundlaget opsamlet ved kørsel med elbiler og analysere på elbilers forbrug. Analyserne er baseret på godt 133 millioner GPS og CAN bus målinger opsamlet fra 164 elbiler (Citroen C-Zero, Mitsubishi iMiev og Peugeot Ion) i kalenderåret 2012....... For datagrundlaget kan det konstateres, at der er behov for væsentlige, men simple opstramninger for fremadrettet at gøre det nemmere at anvende GPS/CAN bus data fra elbiler i andre analyser. Brugen af elbiler er sammenlignet med brændstofbiler og konklusionen er, at elbiler generelt kører 10-15 km/t langsommere på...

  4. Theoretical accuracy in cosmological growth estimation

    Science.gov (United States)

    Bose, Benjamin; Koyama, Kazuya; Hellwing, Wojciech A.; Zhao, Gong-Bo; Winther, Hans A.

    2017-07-01

    We elucidate the importance of the consistent treatment of gravity-model specific nonlinearities when estimating the growth of cosmological structures from redshift space distortions (RSD). Within the context of standard perturbation theory (SPT), we compare the predictions of two theoretical templates with redshift space data from COLA (comoving Lagrangian acceleration) simulations in the normal branch of DGP gravity (nDGP) and general relativity (GR). Using COLA for these comparisons is validated using a suite of full N-body simulations for the same theories. The two theoretical templates correspond to the standard general relativistic perturbation equations and those same equations modeled within nDGP. Gravitational clustering nonlinear effects are accounted for by modeling the power spectrum up to one-loop order and redshift space clustering anisotropy is modeled using the Taruya, Nishimichi and Saito (TNS) RSD model. Using this approach, we attempt to recover the simulation's fiducial logarithmic growth parameter f . By assigning the simulation data with errors representing an idealized survey with a volume of 10 Gpc3/h3 , we find the GR template is unable to recover fiducial f to within 1 σ at z =1 when we match the data up to kmax=0.195 h /Mpc . On the other hand, the DGP template recovers the fiducial value within 1 σ . Further, we conduct the same analysis for sets of mock data generated for generalized models of modified gravity using SPT, where again we analyze the GR template's ability to recover the fiducial value. We find that for models with enhanced gravitational nonlinearity, the theoretical bias of the GR template becomes significant for stage IV surveys. Thus, we show that for the future large data volume galaxy surveys, the self-consistent modeling of non-GR gravity scenarios will be crucial in constraining theory parameters.

  5. POSITIVE LEADERSHIP MODELS: THEORETICAL FRAMEWORK AND RESEARCH

    Directory of Open Access Journals (Sweden)

    Javier Blanch, Francisco Gil

    2016-09-01

    Full Text Available The objective of this article is twofold; firstly, we establish the theoretical boundaries of positive leadership and the reasons for its emergence. It is related to the new paradigm of positive psychology that has recently been shaping the scope of organizational knowledge. This conceptual framework has triggered the development of the various forms of positive leadership (i.e. transformational, servant, spiritual, authentic, and positive. Although the construct does not seem univocally defined, these different types of leadership overlap and share a significant affinity. Secondly, we review the empirical evidence that shows the impact of positive leadership in organizations and we highlight the positive relationship between these forms of leadership and key positive organizational variables. Lastly, we analyse future research areas in order to further develop this concept.

  6. Ultrasonic transit-time flowmeters modelled with theoretical velocity profiles: methodology

    Science.gov (United States)

    Moore, Pamela I.; Brown, Gregor J.; Stimpson, Brian P.

    2000-12-01

    Fully developed flow is well defined for most values of Reynolds number but distorted flow is not. Velocity profile is the definition given to the distribution of velocity in the axial direction over the cross-section of the pipe. This distribution is not usually uniform and can vary dramatically depending on the properties of the fluid and the configuration of the pipe in which it flows. Ultrasonic flowmeters are affected by such distortions in the flow profile, often resulting in erroneous measurements. Transit-time ultrasonic flowmeters are widely used in industry in distorted fluid flows, therefore correction to or prediction of distorted profiles has sparked great interest in the design and application of ultrasonic flowmeters. This document describes a method for modelling and analysing the effect of theoretical asymmetric flow profiles on ultrasonic flowmeters of the transit-time type, thus allowing an understanding of installation effects.

  7. High-efficiency dielectric barrier Xe discharge lamp: theoretical and experimental investigations

    Energy Technology Data Exchange (ETDEWEB)

    Beleznai, Sz [Department of Atomic Physics, Budapest University of Technology and Economics, 3-9 Muegyetem rkp., Budapest H-1111 (Hungary); Mihajlik, G [Department of Atomic Physics, Budapest University of Technology and Economics, 3-9 Muegyetem rkp., Budapest H-1111 (Hungary); Agod, A [GE Consumer and Industrial-Lighting, 77 Vaci ut, Budapest H-1344 (Hungary); Maros, I [GE Consumer and Industrial-Lighting, 77 Vaci ut, Budapest H-1344 (Hungary); Juhasz, R [GE Consumer and Industrial-Lighting, 77 Vaci ut, Budapest H-1344 (Hungary); Nemeth, Zs [GE Consumer and Industrial-Lighting, 77 Vaci ut, Budapest H-1344 (Hungary); Jakab, L [Department of Atomic Physics, Budapest University of Technology and Economics, 3-9 Muegyetem rkp., Budapest H-1111 (Hungary); Richter, P [Department of Atomic Physics, Budapest University of Technology and Economics, 3-9 Muegyetem rkp., Budapest H-1111 (Hungary)

    2006-09-07

    A dielectric barrier Xe discharge lamp producing vacuum-ultraviolet radiation with high efficiency was investigated theoretically and experimentally. The cylindrical glass body of the lamp is equipped with thin strips of metal electrodes applied to diametrically opposite sides of the outer surface. We performed a simulation of discharge plasma properties based on one-dimensional fluid dynamics and also assessed the lamp characteristics experimentally. Simulation and experimental results are analysed and compared in terms of voltage and current characteristics, power input and discharge efficiency. Using the proposed lamp geometry and fast rise-time short square pulses of the driving voltage, an intrinsic discharge efficiency around 56% was predicted by simulation, and more than 60 lm W{sup -1} lamp efficacy (for radiation converted into visible green light by phosphor coating) was demonstrated experimentally.

  8. Information-theoretic metamodel of organizational evolution

    Science.gov (United States)

    Sepulveda, Alfredo

    2011-12-01

    Social organizations are abstractly modeled by holarchies---self-similar connected networks---and intelligent complex adaptive multiagent systems---large networks of autonomous reasoning agents interacting via scaled processes. However, little is known of how information shapes evolution in such organizations, a gap that can lead to misleading analytics. The research problem addressed in this study was the ineffective manner in which classical model-predict-control methods used in business analytics attempt to define organization evolution. The purpose of the study was to construct an effective metamodel for organization evolution based on a proposed complex adaptive structure---the info-holarchy. Theoretical foundations of this study were holarchies, complex adaptive systems, evolutionary theory, and quantum mechanics, among other recently developed physical and information theories. Research questions addressed how information evolution patterns gleamed from the study's inductive metamodel more aptly explained volatility in organization. In this study, a hybrid grounded theory based on abstract inductive extensions of information theories was utilized as the research methodology. An overarching heuristic metamodel was framed from the theoretical analysis of the properties of these extension theories and applied to business, neural, and computational entities. This metamodel resulted in the synthesis of a metaphor for, and generalization of organization evolution, serving as the recommended and appropriate analytical tool to view business dynamics for future applications. This study may manifest positive social change through a fundamental understanding of complexity in business from general information theories, resulting in more effective management.

  9. Theoretical optical spectroscopy of complex systems

    Energy Technology Data Exchange (ETDEWEB)

    Conte, A. Mosca, E-mail: adriano.mosca.conte@roma2.infn.it [MIFP, NAST, ETSF,CNR INFM-SMC, Universitá di Roma Tor Vergata, Via della Ricerca Scientifica 1, Roma (Italy); Violante, C., E-mail: claudia.violante@roma2.infn.it [MIFP, NAST, ETSF,CNR INFM-SMC, Universitá di Roma Tor Vergata, Via della Ricerca Scientifica 1, Roma (Italy); Missori, M., E-mail: mauro.missori@isc.cnr.it [Istituto dei Sistemi Complessi, Consiglio Nazionale delle Ricerche, Via Salaria Km 29.300, 00016 Monterotondo Scalo (Rome) (Italy); Bechstedt, F., E-mail: bech@ifto.physik.uni-jena.de [Institut fur Festkorpertheorie und -optik, Friedrich-Schiller-Universitat, Max-Wien-Platz 1, 07743 Jena (Germany); Teodonio, L. [MIFP, NAST, ETSF,CNR INFM-SMC, Universitá di Roma Tor Vergata, Via della Ricerca Scientifica 1, Roma (Italy); Istituto centrale per il restauro e la conservazione del patrimonio archivistico e librario (IC-RCPAL), Italian Minister for Cultural Heritage, Via Milano 76, 00184 Rome (Italy); Ippoliti, E.; Carloni, P. [German Research School for Simulation Sciences, Julich (Germany); Guidoni, L., E-mail: leonardo.guidoni@univaq.it [Università degli Studi di L’Aquila, Dipartimento di Chimica e Materiali, Via Campo di Pile, 67100 L’Aquila (Italy); Pulci, O., E-mail: olivia.pulci@roma2.infn.it [MIFP, NAST, ETSF,CNR INFM-SMC, Universitá di Roma Tor Vergata, Via della Ricerca Scientifica 1, Roma (Italy)

    2013-08-15

    Highlights: ► We review some theoretical condensed matter ab initio spectroscopic computational techniques. ► We show several applications ranging from 0 to 3 dimensional systems. ► For each system studied, we show which kind of information it is possible to obtain by performing these calculations. -- Abstract: We review here some of the most reliable and efficient computational theoretical ab initio techniques for the prediction of optical and electronic spectroscopic properties and show some important applications to molecules, surfaces, and solids. We investigate the role of the solvent in the optical absorption spectrum of indole molecule. We study the excited-state properties of a photo-active minimal model molecule for the retinal of rhodopsin, responsible for vision mechanism in animals. We then show a study about spectroscopic properties of Si(1 1 1) surface. Finally we simulate a bulk system: paper, that is mainly made of cellulose, a pseudo-crystalline material representing 40% of annual biomass production in the Earth.

  10. Severe Accident Recriticality Analyses (SARA)

    Energy Technology Data Exchange (ETDEWEB)

    Frid, W. [Swedish Nuclear Power Inspectorate, Stockholm (Sweden); Hoejerup, F. [Risoe National Lab. (Denmark); Lindholm, I.; Miettinen, J.; Puska, E.K. [VTT Energy, Helsinki (Finland); Nilsson, Lars [Studsvik Eco and Safety AB, Nykoeping (Sweden); Sjoevall, H. [Teoliisuuden Voima Oy (Finland)

    1999-11-01

    Recriticality in a BWR has been studied for a total loss of electric power accident scenario. In a BWR, the B{sub 4}C control rods would melt and relocate from the core before the fuel during core uncovery and heat-up. If electric power returns during this time-window unborated water from ECCS systems will start to reflood the partly control rod free core. Recriticality might take place for which the only mitigating mechanisms are the Doppler effect and void formation. In order to assess the impact of recriticality on reactor safety, including accident management measures, the following issues have been investigated in the SARA project: 1. the energy deposition in the fuel during super-prompt power burst, 2. the quasi steady-state reactor power following the initial power burst and 3. containment response to elevated quasi steady-state reactor power. The approach was to use three computer codes and to further develop and adapt them for the task. The codes were SIMULATE-3K, APROS and RECRIT. Recriticality analyses were carried out for a number of selected reflooding transients for the Oskarshamn 3 plant in Sweden with SIMULATE-3K and for the Olkiluoto 1 plant in Finland with all three codes. The core state initial and boundary conditions prior to recriticality have been studied with the severe accident codes SCDAP/RELAP5, MELCOR and MAAP4. The results of the analyses show that all three codes predict recriticality - both superprompt power bursts and quasi steady-state power generation - for the studied range of parameters, i. e. with core uncovery and heat-up to maximum core temperatures around 1800 K and water flow rates of 45 kg/s to 2000 kg/s injected into the downcomer. Since the recriticality takes place in a small fraction of the core the power densities are high which results in large energy deposition in the fuel during power burst in some accident scenarios. The highest value, 418 cal/g, was obtained with SIMULATE-3K for an Oskarshamn 3 case with reflooding

  11. Theoretical Provision of Tax Transformation

    Directory of Open Access Journals (Sweden)

    Feofanova Iryna V.

    2016-05-01

    Full Text Available The article is aimed at defining the questions, giving answers to which is necessary for scientific substantiation of the tax transformation in Ukraine. The article analyzes the structural-logical relationships of the theories, providing substantiation of tax systems and transformation of them. Various views on the level of both the tax burden and the distribution of the tax burden between big and small business have been systematized. The issues that require theoretical substantiation when choosing a model of tax system have been identified. It is determined that shares of both indirect and direct taxes and their rates can be substantiated by calculations on the basis of statistical data. The results of the presented research can be used to develop the algorithm for theoretical substantiation of tax transformation

  12. Theoretical Advanced Study Institute: 2014

    Energy Technology Data Exchange (ETDEWEB)

    DeGrand, Thomas [Univ. of Colorado, Boulder, CO (United States)

    2016-08-17

    The Theoretical Advanced Study Institute (TASI) was held at the University of Colorado, Boulder, during June 2-27, 2014. The topic was "Journeys through the Precision Frontier: Amplitudes for Colliders." The organizers were Professors Lance Dixon (SLAC) and Frank Petriello (Northwestern and Argonne). There were fifty-one students. Nineteen lecturers gave sixty seventy-five minute lectures. A Proceedings was published. This TASI was unique for its large emphasis on methods for calculating amplitudes. This was embedded in a program describing recent theoretical and phenomenological developments in particle physics. Topics included introductions to the Standard Model, to QCD (both in a collider context and on the lattice), effective field theories, Higgs physics, neutrino interactions, an introduction to experimental techniques, and cosmology.

  13. Quantum mechanics the theoretical minimum

    CERN Document Server

    Susskind, Leonard

    2014-01-01

    From the bestselling author of The Theoretical Minimum, an accessible introduction to the math and science of quantum mechanicsQuantum Mechanics is a (second) book for anyone who wants to learn how to think like a physicist. In this follow-up to the bestselling The Theoretical Minimum, physicist Leonard Susskind and data engineer Art Friedman offer a first course in the theory and associated mathematics of the strange world of quantum mechanics. Quantum Mechanics presents Susskind and Friedman’s crystal-clear explanations of the principles of quantum states, uncertainty and time dependence, entanglement, and particle and wave states, among other topics. An accessible but rigorous introduction to a famously difficult topic, Quantum Mechanics provides a tool kit for amateur scientists to learn physics at their own pace.

  14. Gas-Phase Theoretical Kinetics for Astrochemistry

    Science.gov (United States)

    Klippenstein, Stephen

    2013-05-01

    We will survey a number of our applications of ab initio theoretical kinetics to reactions of importance to astrochemistry. Illustrative examples will be taken from our calculations for (i) interstellar chemistry, (ii) Titan's atmospheric chemistry, and (iii) the chemistry of extrasolar giant planets. For low temperature interstellar chemistry, careful consideration of the long-range expansion of the potential allows for quantitative predictions of the kinetics. Our recent calculations for the reactions of H3+ with O(3P) and with CO suggest an increase of the predicted destruction rate of H3+ by a factor of 2.5 to 3.0 for temperatures that are typical of dense clouds. Further consideration of the interplay between spin-orbit and multipole terms for open-shell atomic fragments allows us to predict the kinetics for a number of the reactions that have been listed as important reactions for interstellar chemical modeling [V. Wakelam, I. W. M. Smith, E. Herbst, J. Troe, W. Geppert, et al. Space Science Rev., 156, 13-72, 2010]. Our calculations for Titan's atmosphere demonstrate the importance of radiative emission as a stabilization process in the low-pressure environment of Titan's upper atmosphere. Theory has also helped to illuminate the role of various reactions in both Titan's atmosphere and in extrasolar planetary atmospheres. Comparisons between theory and experiment have provided a more detail understanding of the kinetics of PAH dimerization. High level predictions of thermochemical properties are remarkably accurate, and allow us to provide important data for studying P chemistry in planetary atmospheres. Finally, our study of O(3P) + C3 provides an example of a case where theory provides suggestive but not definitive results, and further experiments are clearly needed.

  15. Gas Phase Theoretical Kinetics for Astrochemistry

    Science.gov (United States)

    Klippenstein, Stephen J.; Georgievskii, Y.; Harding, L. B.

    2012-05-01

    We will survey a number of our applications of ab initio theoretical kinetics to reactions of importance to astrochemistry. Illustrative examples will be taken from our calculations for (i) interstellar chemistry, (ii) Titan’s atmospheric chemistry, and (iii) the chemistry of extrasolar giant planets. For low temperature interstellar chemistry, careful consideration of the long-range expansion of the potential allows for quantitative predictions of the kinetics. Our recent calculations for the reactions of H3+ with O(3P) and with CO suggest an increase of the predicted destruction rate of H3+ by a factor of 2.5 to 3.0 for temperatures that are typical of dense clouds. Further consideration of the interplay between spin-orbit and multipole terms for open-shell atomic fragments allows us to predict the kinetics for a number of the reactions that have been listed as important reactions for interstellar chemical modeling [V. Wakelam, I. W. M. Smith, E. Herbst, J. Troe, W. Geppert, et al. Space Science Rev., 156, 13-72, 2010]. Our calculations for Titan’s atmosphere demonstrate the importance of radiative emission as a stabilization process in the low-pressure environment of Titan’s upper atmosphere. Theory has also helped to illuminate the role of various reactions in both Titan’s atmosphere and in extrasolar planetary atmospheres. Comparisons between theory and experiment have provided a more detail understanding of the kinetics of PAH dimerization. High level predictions of thermochemical properties are remarkably accurate, and allow us to provide important data for studying P chemistry in planetary atmospheres. Finally, our study of O(3P) + C3 provides an example of a case where theory provides suggestive but not definitive results, and further experiments are clearly needed.

  16. THOR Turbulence Electron Analyser: TEA

    Science.gov (United States)

    Fazakerley, Andrew; Samara, Marilia; Hancock, Barry; Wicks, Robert; Moore, Tom; Rust, Duncan; Jones, Jonathan; Saito, Yoshifumi; Pollock, Craig; Owen, Chris; Rae, Jonny

    2017-04-01

    Turbulence Heating ObserveR (THOR) is the first mission ever flown in space dedicated to plasma turbulence. The Turbulence Electron Analyser (TEA) will measure the plasma electron populations in the mission's Regions of Interest. It will collect a 3D electron velocity distribution with cadences as short as 5 ms. The instrument will be capable of measuring energies up to 30 keV. TEA consists of multiple electrostatic analyser heads arranged so as to measure electrons arriving from look directions covering the full sky, i.e. 4 pi solid angle. The baseline concept is similar to the successful FPI-DES instrument currently operating on the MMS mission. TEA is intended to have a similar angular resolution, but a larger geometric factor. In comparison to earlier missions, TEA improves on the measurement cadence. For example, MMS FPI-DES routinely operates at 30 ms cadence. The objective of measuring distributions at rates as fast as 5 ms is driven by the mission's scientific requirements to resolve electron gyroscale size structures, where plasma heating and fluctuation dissipation is predicted to occur. TEA will therefore be capable of making measurements of the evolution of distribution functions across thin (a few km) current sheets travelling past the spacecraft at up to 600 km/s, of the Power Spectral Density of fluctuations of electron moments and of distributions fast enough to match frequencies with waves expected to be dissipating turbulence (e.g. with 100 Hz whistler waves). A novel capability to time tag individual electron events during short intervals for the purposes of ground analysis of wave-particle interactions is also planned.

  17. ABOUT COMMON AND THEORETICAL INFORMATICS

    Directory of Open Access Journals (Sweden)

    Andrey A. Mayorov

    2015-01-01

    Full Text Available In this article are considered the integrant importance of informatics and informational technologys includes the sciences and the humanities.There are a differences between scientifi c grounds of the various information orientations, which include physical informatics, bioinfomatics, technical and social informatics. Creation of a united theoretical base for these orientations is very problematical. The metodologically important issue of classifi cation different informatics is a part of the general informatics, the example of which are considered here. 

  18. The probabilistic innovation theoretical framework

    OpenAIRE

    Chris W. Callaghan

    2017-01-01

    Background: Despite technological advances that offer new opportunities for solving societal problems in real time, knowledge management theory development has largely not kept pace with these developments. This article seeks to offer useful insights into how more effective theory development in this area could be enabled. Aim: This article suggests different streams of literature for inclusion into a theoretical framework for an emerging stream of research, termed ‘probabilistic innovati...

  19. Theoretical studies on aerosol agglomeration processes

    Energy Technology Data Exchange (ETDEWEB)

    Lehtinen, K.E.J. [VTT Energy, Espoo (Finland). Energy Use

    1997-12-31

    In this thesis, theoretical modeling of certain aerosol systems has been presented. At first, the aerosol general dynamic equation is introduced, along with a discretization routine for its numerical solution. Of the various possible phenomena affecting aerosol behaviour, this work is mostly focused on aerosol agglomeration. The fundamentals of aerosol agglomeration theory are thus briefly reviewed. The two practical applications of agglomeration studied in this thesis are flue gas cleaning using an electrical agglomerator and nanomaterial synthesis with a free jet reactor. In an electrical agglomerator the aerosol particles are charged and brought into an alternating electric field. The aim is to remove submicron particles from flue gases by collisions with larger particles before conventional gas cleaning devices that have a clear penetration window in the problematic 0.1-1{mu}m size range. A mathematical model was constructed to find out the effects of the different system parameters on the agglomerator`s performance. A crucial part of this task was finding out the collision efficiencies of particles of varying size and charge. The original idea was to use unipolar charging of the particles, and a laboratory scale apparatus was constructed for this purpose. Both theory and experiments clearly show that significant removal of submicron particles can not be achieved by such an arrangement. The theoretical analysis further shows that if the submicron particles and the large collector particles were charged with opposite polarity, significant removal of the submicron particles could be obtained. The second application of agglomeration considered in this thesis is predicting/controlling nanoparticle size in the gas-to-particle aerosol route to material synthesis. In a typical material reactor, a precursor vapor reacts to form molecules of the desired material. In a cooling environment, a particulate phase forms, the dynamics of which are determined by the rates of

  20. Comparative analyses of genetic risk prediction methods reveal ...

    Indian Academy of Sciences (India)

    Author Affiliations. Ankita Chatterjee1 Analabha Basu1 Abhijit Chowdhury2 3 Kausik Das2 Neeta Sarkar-Roy1 Partha P. Majumder1 Priyadarshi Basu1 3. National Institute of Biomedical Genomics, Netaji Subhas Sanatorium (T. B. Hospital), Kalyani 741 251, India; Institute of Post Graduate Medical Education and Research, ...

  1. Comparison of analyses to predict ruminal fibre degradability and ...

    African Journals Online (AJOL)

    The objective of this study was to compare the ruminal degradability of neutral detergent fibre (NDF) and indigestible NDF (INDF) between silages (n = 24) that originated from three different temperate grass species, i.e. Dactylis glomerata L., Festuca arundinacea L. and hybrid, Felina – Lolium multiflorum L. × Festuca ...

  2. Low-coherence optical tomography in turbid tissue: theoretical analysis.

    Science.gov (United States)

    Pan, Y; Birngruber, R; Rosperich, J; Engelhardt, R

    1995-10-01

    On the basis of white-light interferometry and statistical optics, a theoretical model for low-coherence optical tomography is presented that establishes the relation of interference modulation with path-length-resolved reflectance and that can provide analytical expressions and numerical solutions by means of a Fourier transform. The Monte Carlo technique is used to simulate the path-length-resolved reflectance from different multilayer tissue phantoms. Theoretical analyses and preliminary experimental results suggest that, unlike time-resolved spectroscopy, low-coherence optical tomography detects the local relative variations of path-length-resolved reflectance from the turbid tissues.

  3. Theoretical Analyses of the Functional Regions of the Heavy Chain of Botulinum Neurotoxin

    Science.gov (United States)

    1994-01-01

    hemifacial spasm . Mov Disord 1987:4:237-254. 5. Brin MF. Blitzer A, Fahn S, Gould W. Lovelace RE. Adductor laryngeal dystonia (spastic dysphonia): treatment... reviews (6-9). The primary toxic effect of all the BTX serotypes (excluding the C2 and C3 serotypes I10)) is flaccid paralysis. The toxin prevents

  4. Theoretical Energy and Exergy Analyses of Proton Exchange Membrane Fuel Cell by Computer Simulation

    OpenAIRE

    I. D. Gimba; Abdulkareem, A. S.; Jimoh, A.; A. S. Afolabi

    2016-01-01

    A mathematical model of a proton exchange membrane fuel cell (PEMFC) was developed to investigate the effects of operating parameters such as temperature, anode and cathode pressures, reactants flow rates, membrane thickness, and humidity on the performance of the modelled fuel cell. The developed model consisted of electrochemical, heat energy and exergy components which were later simulated using a computer programme. The simulated model for the voltage output of the cell showed good confor...

  5. Theoretical energy and exergy analyses of solar assisted heat pump space heating system

    Directory of Open Access Journals (Sweden)

    Atmaca Ibrahim

    2014-01-01

    Full Text Available Due to use of alternative energy sources and energy efficient operation, heat pumps come into prominence in recent years. Especially in solar-assisted heat pumps, sizing the required system is difficult and arduous task in order to provide optimum working conditions. Therefore, in this study solar assisted indirect expanded heat pump space heating system is simulated and the results of the simulation are compared with available experimental data in the literature in order to present reliability of the model. Solar radiation values in the selected region are estimated with the simulation. The case study is applied and simulation results are given for Antalya, Turkey. Collector type and storage tank capacity effects on the consumed power of the compressor, COP of the heat pump and the overall system are estimated with the simulation, depending on the radiation data, collector surface area and the heating capacity of the space. Exergy analysis is also performed with the simulation and irreversibility, improvement potentials and exergy efficiencies of the heat pump and system components are estimated.

  6. Overcoming the effects of false positives and threshold bias in graph theoretical analyses of neuroimaging data.

    Science.gov (United States)

    Drakesmith, M; Caeyenberghs, K; Dutt, A; Lewis, G; David, A S; Jones, D K

    2015-09-01

    Graph theory (GT) is a powerful framework for quantifying topological features of neuroimaging-derived functional and structural networks. However, false positive (FP) connections arise frequently and influence the inferred topology of networks. Thresholding is often used to overcome this problem, but an appropriate threshold often relies on a priori assumptions, which will alter inferred network topologies. Four common network metrics (global efficiency, mean clustering coefficient, mean betweenness and smallworldness) were tested using a model tractography dataset. It was found that all four network metrics were significantly affected even by just one FP. Results also show that thresholding effectively dampens the impact of FPs, but at the expense of adding significant bias to network metrics. In a larger number (n=248) of tractography datasets, statistics were computed across random group permutations for a range of thresholds, revealing that statistics for network metrics varied significantly more than for non-network metrics (i.e., number of streamlines and number of edges). Varying degrees of network atrophy were introduced artificially to half the datasets, to test sensitivity to genuine group differences. For some network metrics, this atrophy was detected as significant (pcluster-enhanced permutation correction approach, to identify sustained significant effects across clusters of thresholds. This approach minimises requirements to determine a single threshold a priori. We demonstrate improved sensitivity of MTPC-corrected metrics to genuine group effects compared to an existing approach and demonstrate the use of MTPC on a previously published network analysis of tractography data derived from a clinical population. In conclusion, we show that there are large biases and instability induced by thresholding, making statistical comparisons of network metrics difficult. However, by testing for effects across multiple thresholds using MTPC, true group differences can be robustly identified. Copyright © 2015. Published by Elsevier Inc.

  7. Synthesis, theoretical and structural analyses, and enantiopharmacology of 3-carboxy homologs of AMPA

    DEFF Research Database (Denmark)

    Brehm, Lotte; Greenwood, Jeremy R; Sløk, Frank A

    2004-01-01

    We have previously used homologation of (S)-glutamic acid (Glu) and Glu analogs as an approach to the design of selective ligands for different subtypes of Glu receptors. (RS)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)propionic acid (ACPA), which is an isoxazole homolog of Glu, is a very potent...... agonist at the (RS)-2-amino-3-(3-hydroxy-5-methyl-4-isoxazolyl)propionic acid (AMPA) subgroup of Glu receptors and a moderately potent ligand for the kainic acid (KA) subgroup of Glu receptors. The enantiomers of ACPA were previously obtained by chiral HPLC resolution. Prompted by pharmacological interest....... The lower homolog of ACPA, (RS)-2-amino-2-(3-carboxy-5-methyl-4-isoxazolyl)acetic acid (1), which is a Glu analog, was also synthesized. Affinities and neuroexcitatory effects were determined using rat brain membranes and cortical wedges, respectively, at native AMPA, KA, and N-methyl-D-aspartic acid (NMDA...

  8. Cryptobiosis: a new theoretical perspective.

    Science.gov (United States)

    Neuman, Yair

    2006-10-01

    The tardigrade is a microscopic creature that under environmental stress conditions undergoes cryptobiosis [Feofilova, E.P., 2003. Deceleration of vital activity as a universal biochemical mechanism ensuring adaptation of microorganisms to stress factors: A review. Appl. Biochem. Microbiol. 39, 1-18; Nelson, D.R., 2002. Current status of the tardigrada: Evolution and ecology. Integrative Comp. Biol. 42, 652-659]-a temporary metabolic depression-which is considered to be a third state between life and death [Clegg, J.S., 2001. Cryptobiosis-a peculiar state of biological organization. Comp. Biochem. Physiol. Part B 128, 613-624]. In contrast with death, cryptobiosis is a reversible state, and as soon as environmental conditions change, the tardigrade "returns to life." Cryptobiosis in general, and among the tardigrade in particular, is a phenomenon poorly understood [Guppy, M., 2004. The biochemistry of metabolic depression: a history of perceptions. Comp. Biochem. Physiol. Part B 139, 435-442; Schill, R.O., et al., 2004. Stress gene (hsp70) sequences and quantitative expression in Milensium tardigradum (Tardigrade) during active and cryptobiotic stages. J. Exp. Biol. 207, 1607-1613; Watanabe, M., et al., 2002. Mechanisn allowing an insect to survive complete dehydration and extreme temperatures. J. Exp. Biol. 205, 2799-2802; Wright, J.C., 2001. Cryptobiosis 300 years on from van Leuwenhoek: what have we learned about tardigrades? Zool. Anz. 240, 563-582]. Moreover, the ability of the tardigrade to bootstrap itself and to return to life seems paradoxical like the legendary Baron von Munchausen who pulled himself out of the swamp by grabbing his own hair. Two theoretical obstacles prevent us from advancing our knowledge of cryptobiosis. First, we lack appropriate theoretical understanding of reversible processes of biological computation in living systems. Second, we lack appropriate theoretical understanding of bootstrapping in living systems. In this short opinion

  9. Production of electroweak bosons at hadron colliders: theoretical aspects

    CERN Document Server

    Mangano, Michelangelo L.

    2016-01-01

    Since the W and Z discovery, hadron colliders have provided a fertile ground, in which continuously improving measurements and theoretical predictions allow to precisely determine the gauge boson properties, and to probe the dynamics of electroweak and strong interactions. This article will review, from a theoretical perspective, the role played by the study, at hadron colliders, of electroweak boson production properties, from the better understanding of the proton structure, to the discovery and studies of the top quark and of the Higgs, to the searches for new phenomena beyond the Standard Model.

  10. Analysis of K-net and Kik-net data: implications for ground motion prediction - acceleration time histories, response spectra and nonlinear site response; Analyse des donnees accelerometriques de K-net et Kik-net: implications pour la prediction du mouvement sismique - accelerogrammes et spectres de reponse - et la prise en compte des effets de site non-lineaire

    Energy Technology Data Exchange (ETDEWEB)

    Pousse, G

    2005-10-15

    This thesis intends to characterize ground motion during earthquake. This work is based on two Japanese networks. It deals with databases of shallow events, depth less than 25 km, with magnitude between 4.0 and 7.3. The analysis of K-net allows to compute a spectral ground motion prediction equation and to review the shape of the Eurocode 8 design spectra. We show the larger amplification at short period for Japanese data and bring in light the soil amplification that takes place at large period. In addition, we develop a new empirical model for simulating synthetic stochastic nonstationary acceleration time histories. By specifying magnitude, distance and site effect, this model allows to produce many time histories, that a seismic event is liable to produce at the place of interest. Furthermore, the study of near-field borehole records of the Kik-net allows to explore the validity domain of predictive equations and to explain what occurs by extrapolating ground motion predictions. Finally, we show that nonlinearity reduces the dispersion of ground motion at the surface. (author)

  11. Space Debris Removal: A Game Theoretic Analysis

    Directory of Open Access Journals (Sweden)

    Richard Klima

    2016-08-01

    Full Text Available We analyse active space debris removal efforts from a strategic, game-theoretical perspective. Space debris is non-manoeuvrable, human-made objects orbiting Earth, which pose a significant threat to operational spacecraft. Active debris removal missions have been considered and investigated by different space agencies with the goal to protect valuable assets present in strategic orbital environments. An active debris removal mission is costly, but has a positive effect for all satellites in the same orbital band. This leads to a dilemma: each agency is faced with the choice between the individually costly action of debris removal, which has a positive impact on all players; or wait and hope that others jump in and do the ‘dirty’ work. The risk of the latter action is that, if everyone waits, the joint outcome will be catastrophic, leading to what in game theory is referred to as the ‘tragedy of the commons’. We introduce and thoroughly analyse this dilemma using empirical game theory and a space debris simulator. We consider two- and three-player settings, investigate the strategic properties and equilibria of the game and find that the cost/benefit ratio of debris removal strongly affects the game dynamics.

  12. THEORETICAL MODELLING OF THERMAL CONDUCTIVITY OF DEEP EUTECTIC SOLVENT BASED NANOFLUID

    Directory of Open Access Journals (Sweden)

    OSAMA M.

    2017-03-01

    Full Text Available In this research, the thermal conductivities of graphene oxide nano-particles (GO dispersed in deep eutectic solvents (DESs composed of ethylene glycol (EG as a hydrogen bond donor (HBD and methyl tri-phenyl phosphonium bromide (MTPB as a salt, at weight fractions of 0.01%, 0.02% and 0.05%, were studied and quantitatively analysed. The molar ratios of DES (HBD:Salt used in this study are 3:1 and 5:1.The thermal conductivity data of the nano-fluid samples were measured at temperatures of 25-70 °C and the results were compared with theoretical models. Rashmi and Kumar’ models showed conflicting prediction performance. While, Rashmi’s model can predict thermal conductivity with error as low as 0.1%, Kumar’s model error varied from 3-55%. Thus, in this work, a simple empirical modification to Kumar’s model is presented which improves the predictions accuracy compared to that of Rashmi’s model.

  13. Predicting OptimaL cAncer RehabIlitation and Supportive care (POLARIS): rationale and design for meta-analyses of individual patient data of randomized controlled trials that evaluate the effect of physical activity and psychosocial interventions on health-related quality of life in cancer survivors.

    Science.gov (United States)

    Buffart, Laurien M; Kalter, Joeri; Chinapaw, Mai J M; Heymans, Martijn W; Aaronson, Neil K; Courneya, Kerry S; Jacobsen, Paul B; Newton, Robert U; Verdonck-de Leeuw, Irma M; Brug, Johannes

    2013-09-13

    Effective interventions to improve quality of life of cancer survivors are essential. Numerous randomized controlled trials have evaluated the effects of physical activity or psychosocial interventions on health-related quality of life of cancer survivors, with generally small sample sizes and modest effects. Better targeted interventions may result in larger effects. To realize such targeted interventions, we must determine which interventions that are presently available work for which patients, and what the underlying mechanisms are (that is, the moderators and mediators of physical activity and psychosocial interventions). Individual patient data meta-analysis has been described as the 'gold standard' of systematic review methodology. Instead of extracting aggregate data from study reports or from authors, the original research data are sought directly from the investigators. Individual patient data meta-analyses allow for adequate statistical analysis of intervention effects and moderators of such effects.Here, we report the rationale and design of the Predicting OptimaL cAncer RehabIlitation and Supportive care (POLARIS) Consortium. The primary aim of POLARIS is 1) to conduct meta-analyses based on individual patient data to evaluate the effect of physical activity and psychosocial interventions on the health-related quality of life of cancer survivors; 2) to identify important demographic, clinical, personal, or intervention-related moderators of the effect; and 3) to build and validate clinical prediction models identifying the most relevant predictors of intervention success. We will invite investigators of randomized controlled trials that evaluate the effects of physical activity and/or psychosocial interventions on health-related quality of life compared with a wait-list, usual care or attention control group among adult cancer survivors to join the POLARIS consortium and share their data for use in pooled analyses that will address the proposed aims

  14. Genetic analyses of captive Alala (Corvus hawaiiensis) using AFLP analyses

    Science.gov (United States)

    Jarvi, Susan I.; Bianchi, Kiara R.

    2006-01-01

    affected by the mutation rate at microsatellite loci, thus introducing a bias. Also, the number of loci that can be studied is frequently limited to fewer than 10. This theoretically represents a maximum of one marker for each of 10 chromosomes. Dominant markers like AFLP allow a larger fraction of the genome to be screened. Large numbers of loci can be screened by AFLP to resolve very small individual differences that can be used for identification of individuals, estimates of pairwise relatedness and, in some cases, for parentage analyses. Since AFLP is a dominant marker (can not distinguish between +/+ homozygote versus +/- heterozygote), it has limitations for parentage analyses. Only when both parents are homozygous for the absence of alleles (-/-) and offspring show a presence (+/+ or +/-) can the parents be excluded. In this case, microsatellites become preferable as they have the potential to exclude individual parents when the other parent is unknown. Another limitation of AFLP is that the loci are generally less polymorphic (only two alleles/locus) than microsatellite loci (often >10 alleles/locus). While generally fewer than 10 highly polymorphic microsatellite loci are enough to exclude and assign parentage, it might require up to 100 or more AFLP loci. While there are pros and cons to different methodologies, the total number of loci evaluated by AFLP generally offsets the limitations imposed due to the dominant nature of this approach and end results between methods are generally comparable. Overall objectives of this study were to evaluate the level of genetic diversity in the captive population of Alala, to compare genetic data with currently available pedigree information, and to determine the extent of relatedness of mating pairs and among founding individuals.

  15. Time-frequency analyses of tide-gauge sensor data.

    Science.gov (United States)

    Erol, Serdar

    2011-01-01

    The real world phenomena being observed by sensors are generally non-stationary in nature. The classical linear techniques for analysis and modeling natural time-series observations are inefficient and should be replaced by non-linear techniques of whose theoretical aspects and performances are varied. In this manner adopting the most appropriate technique and strategy is essential in evaluating sensors' data. In this study, two different time-series analysis approaches, namely least squares spectral analysis (LSSA) and wavelet analysis (continuous wavelet transform, cross wavelet transform and wavelet coherence algorithms as extensions of wavelet analysis), are applied to sea-level observations recorded by tide-gauge sensors, and the advantages and drawbacks of these methods are reviewed. The analyses were carried out using sea-level observations recorded at the Antalya-II and Erdek tide-gauge stations of the Turkish National Sea-Level Monitoring System. In the analyses, the useful information hidden in the noisy signals was detected, and the common features between the two sea-level time series were clarified. The tide-gauge records have data gaps in time because of issues such as instrumental shortcomings and power outages. Concerning the difficulties of the time-frequency analysis of data with voids, the sea-level observations were preprocessed, and the missing parts were predicted using the neural network method prior to the analysis. In conclusion the merits and limitations of the techniques in evaluating non-stationary observations by means of tide-gauge sensors records were documented and an analysis strategy for the sequential sensors observations was presented.

  16. Theoretical principles of marketing management are on enterprises of agroindustrial complex

    OpenAIRE

    LEVKIV G.YA.; LISOVIY A.V.

    2012-01-01

    In the article theoretical principles of marketing management are analysed and generalized on the enterprises of APK. The strategic are considered conceptually innovative orientiri in the system of marketing management

  17. Theoretical studies of combustion dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Bowman, J.M. [Emory Univ., Atlanta, GA (United States)

    1993-12-01

    The basic objectives of this research program are to develop and apply theoretical techniques to fundamental dynamical processes of importance in gas-phase combustion. There are two major areas currently supported by this grant. One is reactive scattering of diatom-diatom systems, and the other is the dynamics of complex formation and decay based on L{sup 2} methods. In all of these studies, the authors focus on systems that are of interest experimentally, and for which potential energy surfaces based, at least in part, on ab initio calculations are available.

  18. Interconnection policy: a theoretical survey

    Directory of Open Access Journals (Sweden)

    César Mattos

    2003-01-01

    Full Text Available This article surveys the theoretical foundations of interconnection policy. The requirement of an interconnection policy should not be taken for granted in all circumstances, even considering the issue of network externalities. On the other hand, when it is required, an encompassing interconnection policy is usually justified. We provide an overview of the theory on interconnection pricing that results in several different prescriptions depending on which problem the regulator aims to address. We also present a survey on the literature on two-way interconnection.

  19. Theoretical Framework for Robustness Evaluation

    DEFF Research Database (Denmark)

    Sørensen, John Dalsgaard

    2011-01-01

    the importance of robustness for structural design is widely recognized the code requirements are not specified in detail, which makes the practical use difficult. This paper describes a theoretical and risk based framework to form the basis for quantification of robustness and for pre-normative guidelines....... This includes different measures to quantify the level of robustness taking into account the reliability of the structural system and the consequences of failure. The robustness measures are: 1) risk-based, 2) reliability-based and 3) deterministic....

  20. Machine learning a theoretical approach

    CERN Document Server

    Natarajan, Balas K

    2014-01-01

    This is the first comprehensive introduction to computational learning theory. The author's uniform presentation of fundamental results and their applications offers AI researchers a theoretical perspective on the problems they study. The book presents tools for the analysis of probabilistic models of learning, tools that crisply classify what is and is not efficiently learnable. After a general introduction to Valiant's PAC paradigm and the important notion of the Vapnik-Chervonenkis dimension, the author explores specific topics such as finite automata and neural networks. The presentation

  1. Religion and Ethnicity: Theoretical Connections

    Directory of Open Access Journals (Sweden)

    Rebecca Y. Kim

    2011-07-01

    Full Text Available The religion literature in Sociology remains largely disconnected from the ethnicity and immigration literature despite enduring connections between religion and ethnicity. This review helps to close this gap. It shows how the dominant theories in each discipline follow a similar trajectory and examines how exploring the theoretical connections between religion and ethnicity can advance our understanding of each social phenomenon. In particular, it can illuminate why America remains so religious as well as why America’s religious congregations continue to be so divided along ethnic and racial lines.

  2. THEORETICAL CONCEPTIONS OF GEOGRAPHY TEACHERS

    Directory of Open Access Journals (Sweden)

    Eloy Montes Galbán

    2007-11-01

    Full Text Available The main goal of this research was to determine the current theoretical concepts handled by third stage basic education geography teachers. A non experimental descriptive study was made. Data was collected through a semi structured questionnaire. The population was conformed by the teachers who work at the National schools placed in the parishes Raul Leoni and Cacique Mara of Maracaibo city, Zulia State. There is not clarity in regard to the correct handling of the different geographic currents, and the slight notion teachers have leans towards a traditional, descriptive, retrospective memory based conception.

  3. The Global Organic Food Market and Transformation: A Conceptual Theoretical Framework

    DEFF Research Database (Denmark)

    Rasmussen, Ole Horn

    a theoretical approach as the conceptual framework to be used in comparative studies. The present study will be the foundation for the conceptual framework. It investigates contributions from various economic theories and extracts core theoretical fragments into a framework suitable for analysing the evolution...

  4. Theoretical survey on positronium formation and ionisation in positron atom scattering

    Science.gov (United States)

    Basu, Madhumita; Ghosh, A. S.

    1990-01-01

    The recent theoretical studies are surveyed and reported on the formation of exotic atoms in positron-hydrogen, positron-helium and positron-lithium scattering specially at intermediate energy region. The ionizations of these targets by positron impact was also considered. Theoretical predictions for both the processes are compared with existing measured values.

  5. A new theoretical model of the quasistatic single-fiber pullout problem: Analysis of stress field

    DEFF Research Database (Denmark)

    Qing, Hai

    2013-01-01

    A new theoretical model is developed in order to predict the stress transfer during the quasistatic single-fibre pullout process. The theoretical approach retains all relevant stress and strain components, and satisfies exactly the interfacial continuity conditions and all the stress boundary con...

  6. Semen analysis and prediction of natural conception

    NARCIS (Netherlands)

    Leushuis, Esther; van der Steeg, Jan Willem; Steures, Pieternel; Repping, Sjoerd; Bossuyt, Patrick M. M.; Mol, Ben Willem J.; Hompes, Peter G. A.; van der Veen, Fulco

    2014-01-01

    Do two semen analyses predict natural conception better than a single semen analysis and will adding the results of repeated semen analyses to a prediction model for natural pregnancy improve predictions? A second semen analysis does not add helpful information for predicting natural conception

  7. Theoretical perspectives on strange physics

    Energy Technology Data Exchange (ETDEWEB)

    Ellis, J.

    1983-04-01

    Kaons are heavy enough to have an interesting range of decay modes available to them, and light enough to be produced in sufficient numbers to explore rare modes with satisfying statistics. Kaons and their decays have provided at least two major breakthroughs in our knowledge of fundamental physics. They have revealed to us CP violation, and their lack of flavor-changing neutral interactions warned us to expect charm. In addition, K/sup 0/-anti K/sup 0/ mixing has provided us with one of our most elegant and sensitive laboratories for testing quantum mechanics. There is every reason to expect that future generations of kaon experiments with intense sources would add further to our knowledge of fundamental physics. This talk attempts to set future kaon experiments in a general theoretical context, and indicate how they may bear upon fundamental theoretical issues. A survey of different experiments which would be done with an Intense Medium Energy Source of Strangeness, including rare K decays, probes of the nature of CP isolation, ..mu.. decays, hyperon decays and neutrino physics is given. (WHK)

  8. A theoretical study on seasonality.

    Science.gov (United States)

    Schmal, Christoph; Myung, Jihwan; Herzel, Hanspeter; Bordyugov, Grigory

    2015-01-01

    In addition to being endogenous, a circadian system must be able to communicate with the outside world and align its rhythmicity to the environment. As a result of such alignment, external Zeitgebers can entrain the circadian system. Entrainment expresses itself in coinciding periods of the circadian oscillator and the Zeitgeber and a stationary phase difference between them. The range of period mismatches between the circadian system and the Zeitgeber that Zeitgeber can overcome to entrain the oscillator is called an entrainment range. The width of the entrainment range usually increases with increasing Zeitgeber strength, resulting in a wedge-like Arnold tongue. This classical view of entrainment does not account for the effects of photoperiod on entrainment. Zeitgebers with extremely small or large photoperiods are intuitively closer to constant environments than equinoctial Zeitgebers and hence are expected to produce a narrower entrainment range. In this paper, we present theoretical results on entrainment under different photoperiods. We find that in the photoperiod-detuning parameter plane, the entrainment zone is shaped in the form of a skewed onion. The bottom and upper points of the onion are given by the free-running periods in DD and LL, respectively. The widest entrainment range is found near photoperiods of 50%. Within the onion, we calculated the entrainment phase that varies over a range of 12 h. The results of our theoretical study explain the experimentally observed behavior of the entrainment phase in dependence on the photoperiod.

  9. Within tree variation of lignin, extractives, and microfibril angle coupled with the theoretical and near infrared modeling of microfibril angle

    Science.gov (United States)

    Brian K. Via; chi L. So; Leslie H. Groom; Todd F. Shupe; michael Stine; Jan. Wikaira

    2007-01-01

    A theoretical model was built predicting the relationship between microfibril angle and lignin content at the Angstrom (A) level. Both theoretical and statistical examination of experimental data supports a square root transformation of lignin to predict microfibril angle. The experimental material used came from 10 longleaf pine (Pinus palustris)...

  10. Persuading Collaboration: Analysing Persuasion in Online Collaboration Projects

    DEFF Research Database (Denmark)

    McHugh, Ronan; Larsen, Birger

    2010-01-01

    In this paper we propose that online collaborative production sites can be fruitfully analysed in terms of the general theoretical framework of Persuasive Design. OpenStreetMap and The Pirate Bay are used as examples of collaborative production sites. Results of a quantitative analysis...

  11. Experimental and theoretical rotordynamic stiffness coefficients for a three-stage brush seal

    OpenAIRE

    Pugachev, A.O.;Deckner, M.

    2017-01-01

    Experimental and theoretical results are presented for a multistage brush seal. Experimental stiffness is obtained from integrating circumferential pressure distribution measured in seal cavities. A CFD analysis is used to predict seal performance. Bristle packs are modeled by the porous medium approach. Leakage is predicted well by the CFD method. Theoretical stiffness coefficients are in reasonable agreement with the measurements. Experimental results are also compared with a three-teeth-on...

  12. A Case for Theoretical Integration

    OpenAIRE

    Jay A. Richards; Martin P. Johnson

    2014-01-01

    The present research investigated whether constructs of the Theory of Planned Behavior (TPB) and the Extended Parallel Process Model can be integrated into a model that can better explain intentions to exercise than the TPB constructs alone. A total of 336 participants completed measures of constructs from both theories and past exercise behavior. Hierarchical regression analyses revealed that attitudes, subjective nor...

  13. Theoretical integration and the psychology of sport injury prevention.

    Science.gov (United States)

    Chan, Derwin King-Chung; Hagger, Martin S

    2012-09-01

    Integrating different theories of motivation to facilitate or predict behaviour change has received an increasing amount of attention within the health, sport and exercise science literature. A recent review article in Sports Medicine, by Keats, Emery and Finch presented an integrated model using two prominent theories in social psychology, self-determination theory (SDT) and the theory of planned behaviour (TPB), aimed at explaining and enhancing athletes' adherence to sport injury prevention. While echoing their optimistic views about the utility of these two theories to explain adherence in this area and the virtues of theoretical integration, we would like to seize this opportunity to clarify several conceptual principles arising from the authors' integration of the theories. Clarifying the theoretical assumptions and explaining precisely how theoretical integration works is crucial not only for improving the comprehensiveness of the integrated framework for predicting injury prevention behaviour, but also to aid the design of effective intervention strategies targeting behavioural adherence. In this article, we use the integration of SDT and TPB as an example to demonstrate how theoretical integration can advance the understanding of injury prevention behaviour in sport.

  14. Further Analyses of the 433Eros Global Lineament Map

    Science.gov (United States)

    Buczkowski, D. L.; Barnouin-Jha, O. S.; Wyrick, D.; Prockter, L. M.

    2009-03-01

    While some linear features identified on Eros are clearly formed by impact, others do not obviously follow any model predictions of lineation formation by impact and possibly represent a pre-existing internal structure. New analyses are presented.

  15. THEORETICAL ASPECTS OF MEASUREMENT AND MANAGEMENT OF COMPANY'S PERFORMANCE

    OpenAIRE

    Kotāne, Inta

    2015-01-01

    The concept of performance is one of the most important categories of economic analysis, it has been extensively used and it has a broad interpretation. To describe the concept of performance, the related words are used, linked by the noun “performance”: performance management, performance measurement, and performance assessment. In Latvia, these concepts have not been analysed and assessed; therefore, there is a necessity to carry out a theoretical investigation into the concept of performan...

  16. Update on protein structure prediction

    DEFF Research Database (Denmark)

    Hubbard, T; Tramontano, A; Barton, G

    1996-01-01

    Computational tools for protein structure prediction are of great interest to molecular, structural and theoretical biologists due to a rapidly increasing number of protein sequences with no known structure. In October 1995, a workshop was held at IRBM to predict as much as possible about a number...... of proteins of biological interest using ab initio pre!diction of fold recognition methods. 112 protein sequences were collected via an open invitation for target submissions. 17 were selected for prediction during the workshop and for 11 of these a prediction of some reliability could be made. We believe...

  17. Science Academies' Refresher Course on Theoretical Structural ...

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 22; Issue 8. Science Academies' Refresher Course on Theoretical Structural Geology, Crystallography, Mineralogy, Thermodynamics, Experimental Petrology and Theoretical Geophysics. Information and Announcements Volume 22 Issue 8 August 2017 ...

  18. Predicting heavy episodic drinking using an extended temporal self-regulation theory.

    Science.gov (United States)

    Black, Nicola; Mullan, Barbara; Sharpe, Louise

    2017-10-01

    Alcohol consumption contributes significantly to the global burden from disease and injury, and specific patterns of heavy episodic drinking contribute uniquely to this burden. Temporal self-regulation theory and the dual-process model describe similar theoretical constructs that might predict heavy episodic drinking. The aims of this study were to test the utility of temporal self-regulation theory in predicting heavy episodic drinking, and examine whether the theoretical relationships suggested by the dual-process model significantly extend temporal self-regulation theory. This was a predictive study with 149 Australian adults. Measures were questionnaires (self-report habit index, cues to action scale, purpose-made intention questionnaire, timeline follow-back questionnaire) and executive function tasks (Stroop, Tower of London, operation span). Participants completed measures of theoretical constructs at baseline and reported their alcohol consumption two weeks later. Data were analysed using hierarchical multiple linear regression. Temporal self-regulation theory significantly predicted heavy episodic drinking (R 2 =48.0-54.8%, ptheory and the extended temporal self-regulation theory provide good prediction of heavy episodic drinking. Intention, behavioural prepotency, planning ability and inhibitory control may be good targets for interventions designed to decrease heavy episodic drinking. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. Theoretical nuclear and subnuclear physics

    CERN Document Server

    Walecka, John Dirk

    1995-01-01

    This comprehensive text expertly details the numerous theoretical techniques central to the discipline of nuclear physics. It is based on lecture notes from a three-lecture series given at CEBAF (the Continuous Electron Beam Accelerator Facility), where John Dirk Walecka at the time was Scientific Director: "Graduate Quantum Mechanics", "Advanced Quantum Mechanics and Field Theory" and "Special Topics in Nuclear Physics". The primary goal of this text is pedagogical; providing a clear, logical, in-depth, and unifying treatment of many diverse aspects of modern nuclear theory ranging from the non-relativistic many-body problem to the standard model of the strong, electromagnetic, and weak interactions. Four key topics are emphasised in this text: basic nuclear structure, the relativistic nuclear many-body problem, strong-coupling QCD, and electroweak interactions with nuclei. The text is designed to provide graduate students with a basic level of understanding of modern nuclear physics so that they in turn can...

  20. Theoretical microbial ecology without species

    Science.gov (United States)

    Tikhonov, Mikhail

    2017-09-01

    Ecosystems are commonly conceptualized as networks of interacting species. However, partitioning natural diversity of organisms into discrete units is notoriously problematic and mounting experimental evidence raises the intriguing question whether this perspective is appropriate for the microbial world. Here an alternative formalism is proposed that does not require postulating the existence of species as fundamental ecological variables and provides a naturally hierarchical description of community dynamics. This formalism allows approaching the species problem from the opposite direction. While the classical models treat a world of imperfectly clustered organism types as a perturbation around well-clustered species, the presented approach allows gradually adding structure to a fully disordered background. The relevance of this theoretical construct for describing highly diverse natural ecosystems is discussed.

  1. THEORETICAL ASPECTS OF FILMMUSIC STUDY

    Directory of Open Access Journals (Sweden)

    Egorova Tatiana K.

    2014-04-01

    Full Text Available In this article, author analyzes the theoretical aspects of the film music study taking into account with modern realities in the development of world film-process and attempts to its scientific understanding. Need for innovation in this area is long overdue, because the existing on this topic nonfiction no longer meets the new aesthetic and art-practical achievements and innovations in the film music development at the XXI century. Related to the phenomenon of music in screen arts a number of new terms and concepts require a certain adjustment as well. Their range of action is not yet fully defined. Author of the article offered her version of their content-semantic interpretation (largely experimental designed to promote new research methods for the film music study.

  2. Theoretical information reuse and integration

    CERN Document Server

    Rubin, Stuart

    2016-01-01

    Information Reuse and Integration addresses the efficient extension and creation of knowledge through the exploitation of Kolmogorov complexity in the extraction and application of domain symmetry. Knowledge, which seems to be novel, can more often than not be recast as the image of a sequence of transformations, which yield symmetric knowledge. When the size of those transformations and/or the length of that sequence of transforms exceeds the size of the image, then that image is said to be novel or random. It may also be that the new knowledge is random in that no such sequence of transforms, which produces it exists, or is at least known. The nine chapters comprising this volume incorporate symmetry, reuse, and integration as overt operational procedures or as operations built into the formal representations of data and operators employed. Either way, the aforementioned theoretical underpinnings of information reuse and integration are supported.

  3. Theoretical physics 1 classical mechanics

    CERN Document Server

    Nolting, Wolfgang

    2016-01-01

    This textbook offers a clear and comprehensive introduction to classical mechanics, one of the core components of undergraduate physics courses. The book starts with a thorough introduction to the mathematical tools needed, to make this textbook self-contained for learning. The second part of the book introduces the mechanics of the free mass point and details conservation principles. The third part expands the previous to mechanics of many particle systems. Finally the mechanics of the rigid body is illustrated with rotational forces, inertia and gyroscope movement. Ideally suited to undergraduate students in their first year, the book is enhanced throughout with learning features such as boxed inserts and chapter summaries, with key mathematical derivations highlighted to aid understanding. The text is supported by numerous worked examples and end of chapter problem sets. About the Theoretical Physics series Translated from the renowned and highly successful German editions, the eight volumes of this series...

  4. Rovibrational and temperature effects in theoretical studies of NMR parameters

    DEFF Research Database (Denmark)

    Faber, Rasmus; Kaminsky, Jakub; Sauer, Stephan P. A.

    2016-01-01

    The demand for high precision calculations of NMR shieldings (or their related values, chemical shifts δ) and spin-spin coupling constants facilitating and supporting detailed interpretations of NMR spectra increases hand in hand with the development of computational techniques and hardware...... resources. Highly sophisticated calculations including even relativistic effects are nowadays possible for these properties. However, NMR parameters depend not only on molecular structure and environment but also on molecular flexibility and temperature and the apparent success of theoretical predictions...

  5. The probabilistic innovation theoretical framework

    Directory of Open Access Journals (Sweden)

    Chris W. Callaghan

    2017-07-01

    Full Text Available Background: Despite technological advances that offer new opportunities for solving societal problems in real time, knowledge management theory development has largely not kept pace with these developments. This article seeks to offer useful insights into how more effective theory development in this area could be enabled. Aim: This article suggests different streams of literature for inclusion into a theoretical framework for an emerging stream of research, termed ‘probabilistic innovation’, which seeks to develop a system of real-time research capability. The objective of this research is therefore to provide a synthesis of a range of diverse literatures, and to provide useful insights into how research enabled by crowdsourced research and development can potentially be used to address serious knowledge problems in real time. Setting: This research suggests that knowledge management theory can provide an anchor for a new stream of research contributing to the development of real-time knowledge problem solving. Methods: This conceptual article seeks to re-conceptualise the problem of real-time research and locate this knowledge problem in relation to a host of rapidly developing streams of literature. In doing so, a novel perspective of societal problem-solving is enabled. Results: An analysis of theory and literature suggests that certain rapidly developing streams of literature might more effectively contribute to societally important real-time research problem solving if these steams are united under a theoretical framework with this goal as its explicit focus. Conclusion: Although the goal of real-time research is as yet not attainable, research that contributes to its attainment may ultimately make an important contribution to society.

  6. Hash functions and information theoretic security

    DEFF Research Database (Denmark)

    Bagheri, Nasoor; Knudsen, Lars Ramkilde; Naderi, Majid

    2009-01-01

    Information theoretic security is an important security notion in cryptography as it provides a true lower bound for attack complexities. However, in practice attacks often have a higher cost than the information theoretic bound. In this paper we study the relationship between information theoretic...... attack costs and real costs. We show that in the information theoretic model, many well-known and commonly used hash functions such as MD5 and SHA-256 fail to be preimage resistant....

  7. Information-theoretic evaluation for computational biomedical ontologies

    CERN Document Server

    Clark, Wyatt Travis

    2014-01-01

    The development of effective methods for the prediction of ontological annotations is an important goal in computational biology, yet evaluating their performance is difficult due to problems caused by the structure of biomedical ontologies and incomplete annotations of genes. This work proposes an information-theoretic framework to evaluate the performance of computational protein function prediction. A Bayesian network is used, structured according to the underlying ontology, to model the prior probability of a protein's function. The concepts of misinformation and remaining uncertainty are

  8. Venture Capital Funds: Theoretical Aspects

    OpenAIRE

    Jurevičienė, Daiva; Martinkutė, Aistė

    2013-01-01

    The article deals with the form of corporate financing, which is becoming more popular yet is still underused, i.e. venture capital funds as well as their peculiarities and the procedure for attracting investments into a company. The paper summarises the main advantages and disadvantages of venture capital funds as well as their relation with national economic development. It analyses venture capital funds operating in Lithuania, investment strategies and dynamics. Additionally, it overviews ...

  9. An experimental and theoretical study of decentralized gas fired liquid heating

    Energy Technology Data Exchange (ETDEWEB)

    Christensen, Rolf

    1996-12-01

    The effects on the energy situation in industry when gas fired liquid heaters replace steam have been determined by energy surveys performed in a brewery and a slaughterhouse, measurements of the performance and emissions from liquid heaters installed in these industries, and theoretical analyses of the potential energy. The theoretical study in the first part of the project provides information that allows assessment of the effects on the energy situation, of a part or complete conversion to decentralized heating, under the conditions prevailing in the industries concerned. The second part of the project focused on increasing the liquid heater efficiency and reducing emissions of carbon monoxide and hydrocarbons. Heat transfer and pressure drop for a corrugated tube was investigated experimentally. Empirical correlations for heat transfer and pressure drop for a corrugated tube were developed. These correlations were used in the design model that was developed within this project. The design model was validated against experimental data and data from an industrial application, where a section of the smooth heat exchanger tube was replaced with a corrugated tube. The results show that the design model predicts the outlet flue gas temperature and the heater efficiency quite accurately. The wall temperature at the first corrugation is also predicted with reasonable accuracy. These results make it possible to calculate the location where a corrugated tube can be inserted without causing subcooled boiling or severe fouling. It is shown that emissions of carbon monoxide and hydrocarbons can be held at low levels, even when conventional industrial burners are used. The use of nozzles that produce long soft flames increase the risk for large emissions of hydrocarbons and carbon monoxide. 125 refs, 89 figs, 16 tabs

  10. Social enterprise: theoretical basis and perespectives

    Directory of Open Access Journals (Sweden)

    Julian Narlev

    2017-07-01

    Full Text Available Since the 1980s the issues of social enterprises have gained particular popularity, practical and applied, as well as scientific significance. For a short period of time - almost half a century - social enterprises have become an integral part of education and academic research; they have turned into factors affecting noticeably the social and economic policy. The formation and development of social enterprises are the consequence of the profound social, demographic, cultural, global and public changes - the result of capitalism and its cornerstone, the enterprise. This contemporary and innovative theory is a natural extension of the strategies for change in societies and the world - both globally, and in response to the non-profit, public and business sectors - in an attempt to solve the topical and important issues of the time. In view of the circumstances given above, the present study aims to study and analyse - in the theoretical plan basis aspects of social enterprises, and on that to draw and systematize their perspectives for development.

  11. Theoretical derivation of the index flood

    Directory of Open Access Journals (Sweden)

    A. Gioia

    2005-01-01

    Full Text Available The expected value of the annual flood is always needed for attaining reliable estimates of the return period of floods. In particular, the accuracy of its estimate is crucial for ungauged basins, where regional analysis is to be invoked. The main goal of this research was to search for an index flood formula suitable to explicate the influence of basin characteristics such as geomorphology, vegetation, soil and climate. This formula, due to unavoidable overparameterization, more than being suggested for technical use, allows sensitivity analyses of simpler formulae to basin features. This study was mainly based on the theoretical distribution of floods developed by Iacobellis and Fiorentino (2000. In particular, the relationship that they derived for the first order moment was analyzed and simplified by assuming the Gumbel distribution as a first order approximation for the distributions of floods and rainfall intensities. The results were validated with regard to data recorded in some basins located in Southern Italy, in a climatically end geologically heterogeneous territory.

  12. Let Your Eyes Predict

    Directory of Open Access Journals (Sweden)

    Patrizio E. Tressoldi

    2011-09-01

    Full Text Available This study investigates the prediction accuracy of anticipatory pupil dilation responses in humans prior to the random presentation of alerting or neutral sounds. The aim of this study was to test the hypothesis that the autonomous nervous system may react prior to the presentation of random stimuli. A total of 80 participants, who were matched according to gender to take into account individual differences, were asked to listen to a random sequence of 10 neutral and 10 alerting sounds. Their pupil dilation was continuously recorded and the diameter of their pupils was used to predict the category of sound, alerting, or neutral. The pupil dilation of both males and females predicted alerting sounds approximately 10% more accurately than would be expected by chance, whereas neutral sounds were predicted at the chance level. This result was confirmed using a frequentist and a Bayesian statistical approach. Following the results of the study, practical and theoretical implications of these results are discussed.

  13. Precise predictions for V+jets dark matter backgrounds

    Science.gov (United States)

    Lindert, J. M.; Pozzorini, S.; Boughezal, R.; Campbell, J. M.; Denner, A.; Dittmaier, S.; Gehrmann-De Ridder, A.; Gehrmann, T.; Glover, N.; Huss, A.; Kallweit, S.; Maierhöfer, P.; Mangano, M. L.; Morgan, T. A.; Mück, A.; Petriello, F.; Salam, G. P.; Schönherr, M.; Williams, C.

    2017-12-01

    High-energy jets recoiling against missing transverse energy (MET) are powerful probes of dark matter at the LHC. Searches based on large MET signatures require a precise control of the Z(ν {\\bar{ν }})+ jet background in the signal region. This can be achieved by taking accurate data in control regions dominated by Z(ℓ ^+ℓ ^-)+ jet, W(ℓ ν )+ jet and γ + jet production, and extrapolating to the Z(ν {\\bar{ν }})+ jet background by means of precise theoretical predictions. In this context, recent advances in perturbative calculations open the door to significant sensitivity improvements in dark matter searches. In this spirit, we present a combination of state-of-the-art calculations for all relevant V+ jets processes, including throughout NNLO QCD corrections and NLO electroweak corrections supplemented by Sudakov logarithms at two loops. Predictions at parton level are provided together with detailed recommendations for their usage in experimental analyses based on the reweighting of Monte Carlo samples. Particular attention is devoted to the estimate of theoretical uncertainties in the framework of dark matter searches, where subtle aspects such as correlations across different V+ jet processes play a key role. The anticipated theoretical uncertainty in the Z(ν {\\bar{ν }})+ jet background is at the few percent level up to the TeV range.

  14. A Unified Theoretical Framework for Cognitive Sequencing

    Directory of Open Access Journals (Sweden)

    Tejas Savalia

    2016-11-01

    Full Text Available The capacity to sequence information is central to human performance. Sequencing ability forms the foundation stone for higher order cognition related to language and goal-directed planning. Information related to the order of items, their timing, chunking and hierarchical organization are important aspects in sequencing. Past research on sequencing has emphasized two distinct and independent dichotomies: implicit versus explicit and goal-directed versus habits. We propose a theoretical framework unifying these two streams. Our proposal relies on brain's ability to implicitly extract statistical regularities from the stream of stimuli and with attentional engagement organizing sequences explicitly and hierarchically. Similarly, sequences that need to be assembled purposively to accomplish a goal require engagement of attentional processes. With repetition, these goal-directed plans become habits with concomitant disengagement of attention. Thus attention and awareness play a crucial role in the implicit-to-explicit transition as well as in how goal-directed plans become automatic habits. Cortico-subcortical loops ─ basal ganglia-frontal cortex and hippocampus-frontal cortex loops ─ mediate the transition process. We show how the computational principles of model-free and model-based learning paradigms, along with a pivotal role for attention and awareness, offer a unifying framework for these two dichotomies. Based on this framework, we make testable predictions related to the potential influence of response-to-stimulus interval (RSI on developing awareness in implicit learning tasks.

  15. Landscape analysis: Theoretical considerations and practical needs

    Science.gov (United States)

    Godfrey, A.E.; Cleaves, E.T.

    1991-01-01

    Numerous systems of land classification have been proposed. Most have led directly to or have been driven by an author's philosophy of earth-forming processes. However, the practical need of classifying land for planning and management purposes requires that a system lead to predictions of the results of management activities. We propose a landscape classification system composed of 11 units, from realm (a continental mass) to feature (a splash impression). The classification concerns physical aspects rather than economic or social factors; and aims to merge land inventory with dynamic processes. Landscape units are organized using a hierarchical system so that information may be assembled and communicated at different levels of scale and abstraction. Our classification uses a geomorphic systems approach that emphasizes the geologic-geomorphic attributes of the units. Realm, major division, province, and section are formulated by subdividing large units into smaller ones. For the larger units we have followed Fenneman's delineations, which are well established in the North American literature. Areas and districts are aggregated into regions and regions into sections. Units smaller than areas have, in practice, been subdivided into zones and smaller units if required. We developed the theoretical framework embodied in this classification from practical applications aimed at land use planning and land management in Maryland (eastern Piedmont Province near Baltimore) and Utah (eastern Uinta Mountains). ?? 1991 Springer-Verlag New York Inc.

  16. Assessing two Theoretical Frameworks of Civic Engagement

    Directory of Open Access Journals (Sweden)

    Benilde García-Cabrero

    2016-03-01

    Full Text Available The purpose of this study was to empirically test two major theoretical models: a modified version of the social capital model (Pattie, Seyd and Whiteley, 2003, and the Informed Social Engagement Model (Barr and Selman, 2014; Selman and Kwok, 2010, to explain civic participation and civic knowledge of adolescents from Chile, Colombia and Mexico, using data from the International Civic and Citizenship Education Study 2009 (Schulz, et al., 2010. The models were used to identify factors associated with different levels of knowledge and civic participation: expected participation in legal and illegal protests, and electoral participation. Data were analyzed using regression analysis. Results show that the Informed Social Engagement approach (ISEM, explains better the observed differences in civic knowledge and civic participation, than the Social Capital Model (SCM. That is, the expected values associated with the variables included in the ISEM are closer to the observed values, than those predicted by the SCM. This is true for the three outcomes (expected participation in legal protests, illegal protests, and electoral participation and in the three countries analyzed (Chile, Colombia and Mexico.

  17. Basic conceptions of intrapersonal conflict. Theoretical and methodological research

    Directory of Open Access Journals (Sweden)

    Tymofiyeva Maryna Pylypivna

    2016-12-01

    Full Text Available The article analyses conceptions of intrapersonal conflict (IPC, identifies psychological characteristics of their manifestation and impact on an individual’s psychological health and professional development. The author reveals and analyses the psychoanalytic school’s views on the nature of IPC in. understanding the causes of inconsistencies between a person’s internal and external worlds we can both predict the occurrence of stress and crisis and prevent numerous conflicts.

  18. Mediation Analyses in the Real World

    DEFF Research Database (Denmark)

    Lange, Theis; Starkopf, Liis

    2016-01-01

    -code in their publications, thereby shortening the road from reading their paper to employing the considered methods on one’s own data. In this commentary, we will try to follow up on these developments by providing a snapshot of how applied mediation analysis was actually conducted in 2015. While we do not expect to find...... it simultaneously ensures that the comparison is based on properties, which matter in actual applications, and makes the comparison accessible for a broader audience. In a wider context, the choice to stay close to real-life problems mirrors a general trend within the literature on mediation analysis namely to put...... applications using the inverse odds ration approach, as it simply has not had enough time to move from theoretical concept to published applied paper, we do expect to be able to judge the willingness of authors and journals to employ the causal inference-based approach to mediation analyses. Our hope...

  19. Design and Analyses of Electromagnetic Microgenerator

    Directory of Open Access Journals (Sweden)

    Nibras Awaja

    2009-04-01

    Full Text Available This paper presents a new design of an electromagnetic microgenerator. The desgin aspects of the microgenerator comprises spring, coil and rear earth magnet have been addressed. The theoretical analyses of the electromagnetic microgenerator are established. Firstly, steady state analysis has been undertaken to determine the practical performance of the device. It is found that the generator will produce more power in applications with high frequency of vibration. Secondly, electromagnetic analysis is established to calculate the generated power on the load. It is found that the output power can be maximized when the impedance of the coil is less than the load impedance and when using a magnet with high magnetic field. Mechanical parameters like (damping factor, resonant frequency, proof mass and maximum displacement and magnetic parameters like (load resistance, coil resistance, and the magnetic field have been adjusted to optimize the output power through a comprehensive theoretical study. A range of microgenerator output power values are obtained in accordance with the consideration of the design parameters.

  20. Theoretical aspects of cephalosporin isomerism

    Energy Technology Data Exchange (ETDEWEB)

    Pop, E.; Brewster, M.E.; Bodor, N. (Pharmatec, Inc., Alachua, FL (USA) Univ. of Florida, Gainesville (USA)); Kaminski, J.J. (Schering-Plough Corp., Bloomfield, NJ (USA))

    1989-01-01

    The {triangle}{sup 3} double bond of cephalosporins isomerizes to the {triangle}{sup 2} position, resulting in biological inactivation of these antibiotics. This phenomenon occurs slowly in the case of cephalosporanic acids, but is rapid when the 4-carboxylate moiety is esterified or otherwise derivatized, leading to an equilibrium between the {triangle}{sup 2} and {triangle}{sup 3} forms. A theoretical study of this isomerization is described in the framework of two semiempirical all-valence electron molecular orbital (MO) approximations, namely MNDO and AMI. Specifically, the methyl ester and free carboxylate derivatives of both the {triangle}{sup 3} and {triangle}{sup 2} isomers of 7-phenylacetamidocephalosporin were studied. The results obtained indicated that the {triangle}{sup 3} derivatives were thermodynamically more stable than were the {triangle}{sup 2} isomers both in the case of the free acids and methyl esters. These data are consistent with experimental findings and suggest that the more rapid isomerization demonstrated in the case of the esters is due primarily to kinetic rather than to thermodynamic factors. Examination of the calculated molecular structures lend support to various theories that correlate the inactivity of the {triangle}{sup 2} isomers with spatial considerations and the degree of {beta}-lactam amide resonance.