Science.gov

Sample records for muon-nucleus interactions based

  1. Photo nuclear energy loss term for muon-nucleus interactions based on xi scaling model of QCD

    NASA Technical Reports Server (NTRS)

    Roychoudhury, R.

    1985-01-01

    Extensive air showers (EMC) experiments discovered a significant deviation of the ratio of structure functions of iron and deuteron from unity. It was established that the quark parton distribution in nuclei are different from the corresponding distribution in the nucleus. It was examined whether these results have an effect on the calculation of photo nucleus energy loss term for muon-nucleus nuclear interaction. Though the EMC and SLAC data were restricted to rather large q sq region it is expected that the derivation would persist even in the low q sq domain. For the ratio of iron and deuteron structure function a rather naive least square fit of the form R(x) = a + bx was taken and it is assumed that the formula is valid for the whole q sq region the absence of any knowledge of R(x) for small q sq.

  2. Results-Based Interaction Design

    ERIC Educational Resources Information Center

    Weiss, Meredith

    2008-01-01

    Interaction design is a user-centered approach to development in which users and their goals are the driving force behind a project's design. Interaction design principles are fundamental to the design and implementation of effective websites, but they are not sufficient. This article argues that, to reach its full potential, a website should also…

  3. Cognitive neurorehabilitation based on interactive video technology.

    PubMed

    Martínez-Moreno, J M; Solana, J; Sánchez, R; González, S; Sánchez-González, P; Gómez, C; Morell, M; Cáceres, C; Roig, T; Tormos, J M; Gómez, E J

    2013-01-01

    Cognitive impairment is the main cause of disability in developed societies. New interactive technologies help therapists in neurorehabilitation in order to increase patients' autonomy and quality of life. This work proposes Interactive Video (IV) as a technology to develop cognitive rehabilitation tasks based on Activities of Daily Living (ADL). ADL cognitive task has been developed and integrated with eye-tracking technology for task interaction and patients' performance monitoring.

  4. Immersion in Movement-Based Interaction

    NASA Astrophysics Data System (ADS)

    Pasch, Marco; Bianchi-Berthouze, Nadia; van Dijk, Betsy; Nijholt, Anton

    The phenomenon of immersing oneself into virtual environments has been established widely. Yet to date (to our best knowledge) the physical dimension has been neglected in studies investigating immersion in Human-Computer Interaction (HCI). In movement-based interaction the user controls the interface via body movements, e.g. direct manipulation of screen objects via gestures or using a handheld controller as a virtual tennis racket. It has been shown that physical activity affects arousal and that movement-based controllers can facilitate engagement in the context of video games. This paper aims at identifying movement features that influence immersion. We first give a brief survey on immersion and movement-based interfaces. Then, we report results from an interview study that investigates how users experience their body movements when interacting with movement-based interfaces. Based on the interviews, we identify four movement-specific features. We recommend them as candidates for further investigation.

  5. Adding Interactivity to Web Based Distance Learning.

    ERIC Educational Resources Information Center

    Cafolla, Ralph; Knee, Richard

    Web Based Distance Learning (WBDL) is a form of distance learning based on providing instruction mainly on the World Wide Web. This paradigm has limitations, especially the lack of interactivity inherent in the Web. The purpose of this paper is to discuss some of the technologies the authors have used in their courses at Florida Atlantic…

  6. Interactive analysis of geodata based intelligence

    NASA Astrophysics Data System (ADS)

    Wagner, Boris; Eck, Ralf; Unmüessig, Gabriel; Peinsipp-Byma, Elisabeth

    2016-05-01

    When a spatiotemporal events happens, multi-source intelligence data is gathered to understand the problem, and strategies for solving the problem are investigated. The difficulties arising from handling spatial and temporal intelligence data represent the main problem. The map might be the bridge to visualize the data and to get the most understand model for all stakeholders. For the analysis of geodata based intelligence data, a software was developed as a working environment that combines geodata with optimized ergonomics. The interaction with the common operational picture (COP) is so essentially facilitated. The composition of the COP is based on geodata services, which are normalized by international standards of the Open Geospatial Consortium (OGC). The basic geodata are combined with intelligence data from images (IMINT) and humans (HUMINT), stored in a NATO Coalition Shared Data Server (CSD). These intelligence data can be combined with further information sources, i.e., live sensors. As a result a COP is generated and an interaction suitable for the specific workspace is added. This allows the users to work interactively with the COP, i.e., searching with an on board CSD client for suitable intelligence data and integrate them into the COP. Furthermore, users can enrich the scenario with findings out of the data of interactive live sensors and add data from other sources. This allows intelligence services to contribute effectively to the process by what military and disaster management are organized.

  7. Interaction Energy Based Protein Structure Networks

    PubMed Central

    Vijayabaskar, M.S.; Vishveshwara, Saraswathi

    2010-01-01

    The three-dimensional structure of a protein is formed and maintained by the noncovalent interactions among the amino-acid residues of the polypeptide chain. These interactions can be represented collectively in the form of a network. So far, such networks have been investigated by considering the connections based on distances between the amino-acid residues. Here we present a method of constructing the structure network based on interaction energies among the amino-acid residues in the protein. We have investigated the properties of such protein energy-based networks (PENs) and have shown correlations to protein structural features such as the clusters of residues involved in stability, formation of secondary and super-secondary structural units. Further we demonstrate that the analysis of PENs in terms of parameters such as hubs and shortest paths can provide a variety of biologically important information, such as the residues crucial for stabilizing the folded units and the paths of communication between distal residues in the protein. Finally, the energy regimes for different levels of stabilization in the protein structure have clearly emerged from the PEN analysis. PMID:21112295

  8. Defining interaction and strategies to enhance interactions in Web-based courses.

    PubMed

    Thurmond, Veronica A

    2003-01-01

    Designing interaction components in Web-based courses is important to ensure an effective learning environment. The author provides a definition of interaction and describes four types of interactions: learner-content, learner-learner, learner-instructor, and learner-interface. Finally, strategies to enhance the four types of interaction when developing and delivering Web-based course are discussed.

  9. Interactive physically-based sound simulation

    NASA Astrophysics Data System (ADS)

    Raghuvanshi, Nikunj

    The realization of interactive, immersive virtual worlds requires the ability to present a realistic audio experience that convincingly compliments their visual rendering. Physical simulation is a natural way to achieve such realism, enabling deeply immersive virtual worlds. However, physically-based sound simulation is very computationally expensive owing to the high-frequency, transient oscillations underlying audible sounds. The increasing computational power of desktop computers has served to reduce the gap between required and available computation, and it has become possible to bridge this gap further by using a combination of algorithmic improvements that exploit the physical, as well as perceptual properties of audible sounds. My thesis is a step in this direction. My dissertation concentrates on developing real-time techniques for both sub-problems of sound simulation: synthesis and propagation. Sound synthesis is concerned with generating the sounds produced by objects due to elastic surface vibrations upon interaction with the environment, such as collisions. I present novel techniques that exploit human auditory perception to simulate scenes with hundreds of sounding objects undergoing impact and rolling in real time. Sound propagation is the complementary problem of modeling the high-order scattering and diffraction of sound in an environment as it travels from source to listener. I discuss my work on a novel numerical acoustic simulator (ARD) that is hundred times faster and consumes ten times less memory than a high-accuracy finite-difference technique, allowing acoustic simulations on previously-intractable spaces, such as a cathedral, on a desktop computer. Lastly, I present my work on interactive sound propagation that leverages my ARD simulator to render the acoustics of arbitrary static scenes for multiple moving sources and listener in real time, while accounting for scene-dependent effects such as low-pass filtering and smooth attenuation

  10. Learning through Interaction: Improving Practice with Design-Based Research

    ERIC Educational Resources Information Center

    Voigt, Christian; Swatman, Paula M. C.

    2006-01-01

    This article presents the first stage of a design-based research project to introduce case-based learning using existing interactive technologies in a major Australian university. The paper initially outlines the relationship between case-based learning, student interaction and the study of interactions--and includes a review of research into…

  11. CABINS: Case-based interactive scheduler

    NASA Technical Reports Server (NTRS)

    Miyashita, Kazuo; Sycara, Katia

    1992-01-01

    In this paper we discuss the need for interactive factory schedule repair and improvement, and we identify case-based reasoning (CBR) as an appropriate methodology. Case-based reasoning is the problem solving paradigm that relies on a memory for past problem solving experiences (cases) to guide current problem solving. Cases similar to the current case are retrieved from the case memory, and similarities and differences of the current case to past cases are identified. Then a best case is selected, and its repair plan is adapted to fit the current problem description. If a repair solution fails, an explanation for the failure is stored along with the case in memory, so that the user can avoid repeating similar failures in the future. So far we have identified a number of repair strategies and tactics for factory scheduling and have implemented a part of our approach in a prototype system, called CABINS. As a future work, we are going to scale up CABINS to evaluate its usefulness in a real manufacturing environment.

  12. Physically-based interactive Schlieren flow visualization

    SciTech Connect

    Mccormick, Patrick S; Brownlee, Carson S; Pegoraro, Vincent; Shankar, Siddharth; Hansen, Charles D

    2009-01-01

    Understanding fluid flow is a difficult problem and of increasing importance as computational fluid dynamics produces an abundance of simulation data. Experimental flow analysis has employed techniques such as shadowgraph and schlieren imaging for centuries which allow empirical observation of inhomogeneous flows. Shadowgraphs provide an intuitive way of looking at small changes in flow dynamics through caustic effects while schlieren cutoffs introduce an intensity gradation for observing large scale directional changes in the flow. The combination of these shading effects provides an informative global analysis of overall fluid flow. Computational solutions for these methods have proven too complex until recently due to the fundamental physical interaction of light refracting through the flow field. In this paper, we introduce a novel method to simulate the refraction of light to generate synthetic shadowgraphs and schlieren images of time-varying scalar fields derived from computational fluid dynamics (CFD) data. Our method computes physically accurate schlieren and shadowgraph images at interactive rates by utilizing a combination of GPGPU programming, acceleration methods, and data-dependent probabilistic schlieren cutoffs. Results comparing this method to previous schlieren approximations are presented.

  13. Constraint-based interactive assembly planning

    SciTech Connect

    Jones, R.E.; Wilson, R.H.; Calton, T.L.

    1997-03-01

    The constraints on assembly plans vary depending on the product, assembly facility, assembly volume, and many other factors. This paper describes the principles and implementation of a framework that supports a wide variety of user-specified constraints for interactive assembly planning. Constraints from many sources can be expressed on a sequencing level, specifying orders and conditions on part mating operations in a number of ways. All constraints are implemented as filters that either accept or reject assembly operations proposed by the planner. For efficiency, some constraints are supplemented with special-purpose modifications to the planner`s algorithms. Replanning is fast enough to enable a natural plan-view-constrain-replan cycle that aids in constraint discovery and documentation. We describe an implementation of the framework in a computer-aided assembly planning system and experiments applying the system to several complex assemblies. 12 refs., 2 figs., 3 tabs.

  14. Isoniazid interaction with phosphatidylcholine-based membranes

    NASA Astrophysics Data System (ADS)

    Marques, Amanda Vicente; Marengo Trindade, Paulo; Marques, Sheylla; Brum, Tainá; Harte, Etienne; Rodrigues, Marieli Oliveira; D'Oca, Marcelo Gonçalves Montes; da Silva, Pedro Almeida; Pohlmann, Adriana R.; Alves, Isabel Dantas; de Lima, Vânia Rodrigues

    2013-11-01

    Interaction between the anti-tuberculosis drug isoniazid (INH) and phosphatidylcholine membranes was investigated in terms of: (i) drug affinity to a lipid bilayer and (ii) drug-induced changes in the dynamic properties of liposomes, such as membrane hydration state, polar head and non-polar acyl chain order and lipid phase transition behavior. These parameters were studied by plasmon waveguide resonance spectroscopy (PWR), UV-visible, horizontal attenuated total reflectance-Fourier transform infrared (HATR-FTIR), nuclear magnetic resonance (NMR) and differential scanning calorimetry (DSC) techniques. PWR measurements showed an INH membrane dissociation constant value of 0.031 μM to phosphatidylcholine bilayers. INH induced higher membrane perturbation in the plane which is perpendicular to the membrane plane. The INH saturation concentration in phosphatidylcholine liposomes was 170 μM. At this concentration, HATR-FTIR and NMR findings showed that INH may interact with the lipid polar head, increasing the number of hydrogen bonds in the phosphate region and enhancing the choline motional freedom. DSC measurements showed that, at 115 μM, INH was responsible for a decrease in lipid phase transition temperature of approximately 2 °C and had no influence in the lipid enthalpy variation (ΔH). However, at 170 μM, INH induced the reduction of the ΔH by approximately 52%, suggesting that the drug may increase the distance among lipid molecules and enhance the freedom of the lipid acyl chains methylene groups. This paper provides information on the effects of INH on membrane dynamics which is important to understand liposome targeting of the drug and for the development of anti-TB pharmacologic systems that not only are less susceptible to resistance but also have low toxicity.

  15. Hyperon-hyperon interaction based on quark-model baryon-baryon interactions

    NASA Astrophysics Data System (ADS)

    Fukukawa, Kenji

    2014-04-01

    Energy-independent nonlocal Gaussian potential based on the quark-model baryon-baryon interaction is derived by using the Gauss-Legendre quadrature and the Bargmann algebra. The reliability of this potential is examined with respect to the NN, YN and YY phase shifts. This potential reproduces the phase shifts predicted by quark-model baryon-baryon interaction fss2.

  16. Interactive web-based radiology teaching file.

    PubMed

    Zaidel, M; Hopper, K; Iyriboz, T

    1999-05-01

    This multimedia radiology teaching file was developed for medical students, residents, physicians, and researchers to present teaching components related to clinical studies. Patient studies are used to create teaching cases, user can also create lecture series and custom presentations (catalogs) by linking related text and images. The user is able to make and preserve his/her own notes related to reviewed information. From the computer workstation, the user can perform search our case library by American College of Radiology (ACR) codes, keywords, modalities, or text. Results are presented in custom pages and include text lists, thumbnails lists, rescaled images, and full-size images. Text can be easily printed in custom format or exported to an ASCI file. To preserve the privacy of the student, access to our database is granted to the web browser by log-in panel. Image and text can be imported from Digital Imaging and Communications in Medicine (DICOM)-compatible devices or entered by using web forms. In conclusion, we developed a multifunctional interactive teaching environment accessible for multiplatform internet users.

  17. A Usability Study of Interactive Web-Based Modules

    ERIC Educational Resources Information Center

    Girard, Tulay; Pinar, Musa

    2011-01-01

    This research advances the understanding of the usability of marketing case study modules in the area of interactive web-based technologies through the assignment of seven interactive case modules in a Principles of Marketing course. The case modules were provided for marketing students by the publisher, McGraw Hill Irwin, of the "Marketing"…

  18. An Interactive Graphing Tool for Web-Based Courses.

    ERIC Educational Resources Information Center

    Kennedy, David M.; Fritze, Paul

    This paper reports on a project involving the development and formative evaluation of an interactive World Wide Web-based learning tool. The interactive graphing tool (IGT) permits students to sketch a graph on screen using a mouse and responds to a wide range of common graph types. The IGT facilitates an iterative approach to understanding…

  19. Web-based Interactive Simulator for Rotating Machinery.

    ERIC Educational Resources Information Center

    Sirohi, Vijayalaxmi

    1999-01-01

    Baroma (Balance of Rotating Machinery), the Web-based educational engineering interactive software for teaching/learning combines didactical and software ergonomical approaches. The software in tutorial form simulates a problem using Visual Interactive Simulation in graphic display, and animation is brought about through graphical user interface…

  20. Gallium based low-interaction anions

    DOEpatents

    King, Wayne A.; Kubas, Gregory J.

    2000-01-01

    The present invention provides: a composition of the formula M.sup.+x (Ga(Y).sub.4.sup.-).sub.x where M is a metal selected from the group consisting of lithium, sodium, potassium, cesium, calcium, strontium, thallium, and silver, x is an integer selected from the group consisting of 1 or 2, each Y is a ligand selected from the group consisting of aryl, alkyl, hydride and halide with the proviso that at least one Y is a ligand selected from the group consisting of aryl, alkyl and halide; a composition of the formula (R).sub.x Q.sup.+ Ga(Y).sub.4.sup.- where Q is selected from the group consisting of carbon, nitrogen, sulfur, phosphorus and oxygen, each R is a ligand selected from the group consisting of alkyl, aryl, and hydrogen, x is an integer selected from the group consisting of 3 and 4 depending upon Q, and each Y is a ligand selected from the group consisting of aryl, alkyl, hydride and halide with the proviso that at least one Y is a ligand selected from the group consisting of aryl, alkyl and halide; an ionic polymerization catalyst composition including an active cationic portion and a gallium based weakly coordinating anion; and bridged anion species of the formula M.sup.+x.sub.y [X(Ga(Y.sub.3).sub.z ].sup.-y.sub.x where M is a metal selected from the group consisting of lithium, sodium, potassium, magnesium, cesium, calcium, strontium, thallium, and silver, x is an integer selected from the group consisting of 1 or 2, X is a bridging group between two gallium atoms, y is an integer selected from the group consisting 1 and 2, z is an integer of at least 2, each Y is a ligand selected from the group consisting of aryl, alkyl, hydride and halide with the proviso that at least one Y is a ligand selected from the group consisting of aryl, alkyl and halide.

  1. Promoting Discourse with Task-Based Scenario Interaction.

    ERIC Educational Resources Information Center

    Dinapoli, Russell

    Tasks have become an essential feature of second language (L2) learning in recent years. Tasks range from getting learners to repeat linguistic elements satisfactorily to having them perform in "free" production. Along this task-based continuum, task-based scenario interaction lies at the point midway between controlled and semi-controlled…

  2. Interacting with Visual Poems through AR-Based Digital Artwork

    ERIC Educational Resources Information Center

    Lin, Hao-Chiang Koong; Hsieh, Min-Chai; Liu, Eric Zhi-Feng; Chuang, Tsung-Yen

    2012-01-01

    In this study, an AR-based digital artwork called "Mind Log" was designed and evaluated. The augmented reality technique was employed to create digital artwork that would present interactive poems. A digital poem was generated via the interplay between a video film and a text-based poem. This artwork was created following a rigorous design flow,…

  3. User Interaction Design for a Home-Based Telecare System

    NASA Astrophysics Data System (ADS)

    Raptis, Spyros; Tsiakoulis, Pirros; Chalamandaris, Aimilios; Karabetsos, Sotiris

    This paper presents the design of the user-interaction component of a home-based telecare system for congestive heart failure patients. It provides a short overview of the overall system and offers details on the different interaction types supported by the system. Interacting with the user occurs either as part of a scheduled procedure or as a consequence of identifying or predicting a potentially hazardous deterioration of the patients' health state. The overall logic of the interaction is structured around event-scenario associations, where a scenario consists of concrete actions to be performed, some of which may involve the patient. A key objective in this type of interaction that it is very simple, intuitive and short, involving common everyday objects and familiar media such as speech.

  4. Evaluation of an Interactive Case-Based Online Network (ICON) in a Problem Based Learning Environment

    ERIC Educational Resources Information Center

    Nathoo, Arif N.; Goldhoff, Patricia; Quattrochi, James J.

    2005-01-01

    Purpose: This study sought to assess the introduction of a web-based innovation in medical education that complements traditional problem-based learning curricula. Utilizing the case method as its fundamental educational approach, the Interactive Case-based Online Network (ICON) allows students to interact with each other, faculty and a virtual…

  5. Assessing Bacterial Interactions Using Carbohydrate-Based Microarrays

    PubMed Central

    Flannery, Andrea; Gerlach, Jared Q.; Joshi, Lokesh; Kilcoyne, Michelle

    2015-01-01

    Carbohydrates play a crucial role in host-microorganism interactions and many host glycoconjugates are receptors or co-receptors for microbial binding. Host glycosylation varies with species and location in the body, and this contributes to species specificity and tropism of commensal and pathogenic bacteria. Additionally, bacterial glycosylation is often the first bacterial molecular species encountered and responded to by the host system. Accordingly, characterising and identifying the exact structures involved in these critical interactions is an important priority in deciphering microbial pathogenesis. Carbohydrate-based microarray platforms have been an underused tool for screening bacterial interactions with specific carbohydrate structures, but they are growing in popularity in recent years. In this review, we discuss carbohydrate-based microarrays that have been profiled with whole bacteria, recombinantly expressed adhesins or serum antibodies. Three main types of carbohydrate-based microarray platform are considered; (i) conventional carbohydrate or glycan microarrays; (ii) whole mucin microarrays; and (iii) microarrays constructed from bacterial polysaccharides or their components. Determining the nature of the interactions between bacteria and host can help clarify the molecular mechanisms of carbohydrate-mediated interactions in microbial pathogenesis, infectious disease and host immune response and may lead to new strategies to boost therapeutic treatments. PMID:27600247

  6. Assessing Bacterial Interactions Using Carbohydrate-Based Microarrays

    PubMed Central

    Flannery, Andrea; Gerlach, Jared Q.; Joshi, Lokesh; Kilcoyne, Michelle

    2015-01-01

    Carbohydrates play a crucial role in host-microorganism interactions and many host glycoconjugates are receptors or co-receptors for microbial binding. Host glycosylation varies with species and location in the body, and this contributes to species specificity and tropism of commensal and pathogenic bacteria. Additionally, bacterial glycosylation is often the first bacterial molecular species encountered and responded to by the host system. Accordingly, characterising and identifying the exact structures involved in these critical interactions is an important priority in deciphering microbial pathogenesis. Carbohydrate-based microarray platforms have been an underused tool for screening bacterial interactions with specific carbohydrate structures, but they are growing in popularity in recent years. In this review, we discuss carbohydrate-based microarrays that have been profiled with whole bacteria, recombinantly expressed adhesins or serum antibodies. Three main types of carbohydrate-based microarray platform are considered; (i) conventional carbohydrate or glycan microarrays; (ii) whole mucin microarrays; and (iii) microarrays constructed from bacterial polysaccharides or their components. Determining the nature of the interactions between bacteria and host can help clarify the molecular mechanisms of carbohydrate-mediated interactions in microbial pathogenesis, infectious disease and host immune response and may lead to new strategies to boost therapeutic treatments.

  7. Computer-Based Interaction Analysis with DEGREE Revisited

    ERIC Educational Resources Information Center

    Barros, B.; Verdejo, M. F.

    2016-01-01

    We review our research with "DEGREE" and analyse how our work has impacted the collaborative learning community since 2000. Our research is framed within the context of computer-based interaction analysis and the development of computer-supported collaborative learning (CSCL) tools. We identify some aspects of our work which have been…

  8. Interactive Video-Based Industrial Training in Basic Electronics.

    ERIC Educational Resources Information Center

    Mirkin, Barry

    The Wisconsin Foundation for Vocational, Technical, and Adult Education is currently involved in the development, implementation, and distribution of a sophisticated interactive computer and video learning system. Designed to offer trainees an open entry and open exit opportunity to pace themselves through a comprehensive competency-based,…

  9. A Microcomputer-Based Interactive Presentation Development System.

    ERIC Educational Resources Information Center

    Moreau, Dennis R.; Dominick, Wayne D.

    1988-01-01

    Reviews research and development projects sponsored by the National Aeronautics and Space Administration (NASA) that address microcomputer-based support for instructional activities at the University of Southwestern Louisiana. Highlights include a graphics project, local area networks, and the Interactive Presentation Development System, which is…

  10. Wandering: A Web-Based Platform for the Creation of Location-Based Interactive Learning Objects

    ERIC Educational Resources Information Center

    Barak, Miri; Ziv, Shani

    2013-01-01

    Wandering is an innovative web-based platform that was designed to facilitate outdoor, authentic, and interactive learning via the creation of location-based interactive learning objects (LILOs). Wandering was integrated as part of a novel environmental education program among middle school students. This paper describes the Wandering platform's…

  11. Tailoring force interactions for solvent-based processing of ceramics

    NASA Astrophysics Data System (ADS)

    Woan, Karran V.

    Environmental pollution resulting from burn-off is a major concern during ceramics processing. Focus on decreasing organic content and increasing recovery of solvents has become very desirable both from a manufacturing plant standpoint as well as from the standpoint of the government and its people. Colloid processing advances using atomic force microscopy is presented as a means to develop a solvent-based system through which interactions of particles in suspensions with the wall or with themselves can be tailored without the use of organic dispersants. Predictions are made and expected force interactions are calculated for silica particle interactions with a steel wall under various liquid environments. Attachment of a colloid sphere atop of an AFM cantilever allows for the measurement of interaction between the sphere and a surface. Van der Waals interactions in aqueous and non-aqueous environments are specifically calculated and addressed and the effect of porosity is compared with the idealized solid-sphere case. Furthermore, development of methodologies to examine force interactions of particles (both hydrophobic and hydrophilic) in solvents is detailed.

  12. Traffic and Driving Simulator Based on Architecture of Interactive Motion

    PubMed Central

    Paz, Alexander; Veeramisti, Naveen; Khaddar, Romesh; de la Fuente-Mella, Hanns; Modorcea, Luiza

    2015-01-01

    This study proposes an architecture for an interactive motion-based traffic simulation environment. In order to enhance modeling realism involving actual human beings, the proposed architecture integrates multiple types of simulation, including: (i) motion-based driving simulation, (ii) pedestrian simulation, (iii) motorcycling and bicycling simulation, and (iv) traffic flow simulation. The architecture has been designed to enable the simulation of the entire network; as a result, the actual driver, pedestrian, and bike rider can navigate anywhere in the system. In addition, the background traffic interacts with the actual human beings. This is accomplished by using a hybrid mesomicroscopic traffic flow simulation modeling approach. The mesoscopic traffic flow simulation model loads the results of a user equilibrium traffic assignment solution and propagates the corresponding traffic through the entire system. The microscopic traffic flow simulation model provides background traffic around the vicinities where actual human beings are navigating the system. The two traffic flow simulation models interact continuously to update system conditions based on the interactions between actual humans and the fully simulated entities. Implementation efforts are currently in progress and some preliminary tests of individual components have been conducted. The implementation of the proposed architecture faces significant challenges ranging from multiplatform and multilanguage integration to multievent communication and coordination. PMID:26491711

  13. Traffic and Driving Simulator Based on Architecture of Interactive Motion.

    PubMed

    Paz, Alexander; Veeramisti, Naveen; Khaddar, Romesh; de la Fuente-Mella, Hanns; Modorcea, Luiza

    2015-01-01

    This study proposes an architecture for an interactive motion-based traffic simulation environment. In order to enhance modeling realism involving actual human beings, the proposed architecture integrates multiple types of simulation, including: (i) motion-based driving simulation, (ii) pedestrian simulation, (iii) motorcycling and bicycling simulation, and (iv) traffic flow simulation. The architecture has been designed to enable the simulation of the entire network; as a result, the actual driver, pedestrian, and bike rider can navigate anywhere in the system. In addition, the background traffic interacts with the actual human beings. This is accomplished by using a hybrid mesomicroscopic traffic flow simulation modeling approach. The mesoscopic traffic flow simulation model loads the results of a user equilibrium traffic assignment solution and propagates the corresponding traffic through the entire system. The microscopic traffic flow simulation model provides background traffic around the vicinities where actual human beings are navigating the system. The two traffic flow simulation models interact continuously to update system conditions based on the interactions between actual humans and the fully simulated entities. Implementation efforts are currently in progress and some preliminary tests of individual components have been conducted. The implementation of the proposed architecture faces significant challenges ranging from multiplatform and multilanguage integration to multievent communication and coordination.

  14. Traffic and Driving Simulator Based on Architecture of Interactive Motion.

    PubMed

    Paz, Alexander; Veeramisti, Naveen; Khaddar, Romesh; de la Fuente-Mella, Hanns; Modorcea, Luiza

    2015-01-01

    This study proposes an architecture for an interactive motion-based traffic simulation environment. In order to enhance modeling realism involving actual human beings, the proposed architecture integrates multiple types of simulation, including: (i) motion-based driving simulation, (ii) pedestrian simulation, (iii) motorcycling and bicycling simulation, and (iv) traffic flow simulation. The architecture has been designed to enable the simulation of the entire network; as a result, the actual driver, pedestrian, and bike rider can navigate anywhere in the system. In addition, the background traffic interacts with the actual human beings. This is accomplished by using a hybrid mesomicroscopic traffic flow simulation modeling approach. The mesoscopic traffic flow simulation model loads the results of a user equilibrium traffic assignment solution and propagates the corresponding traffic through the entire system. The microscopic traffic flow simulation model provides background traffic around the vicinities where actual human beings are navigating the system. The two traffic flow simulation models interact continuously to update system conditions based on the interactions between actual humans and the fully simulated entities. Implementation efforts are currently in progress and some preliminary tests of individual components have been conducted. The implementation of the proposed architecture faces significant challenges ranging from multiplatform and multilanguage integration to multievent communication and coordination. PMID:26491711

  15. WAVE: Interactive Wave-based Sound Propagation for Virtual Environments.

    PubMed

    Mehra, Ravish; Rungta, Atul; Golas, Abhinav; Ming Lin; Manocha, Dinesh

    2015-04-01

    We present an interactive wave-based sound propagation system that generates accurate, realistic sound in virtual environments for dynamic (moving) sources and listeners. We propose a novel algorithm to accurately solve the wave equation for dynamic sources and listeners using a combination of precomputation techniques and GPU-based runtime evaluation. Our system can handle large environments typically used in VR applications, compute spatial sound corresponding to listener's motion (including head tracking) and handle both omnidirectional and directional sources, all at interactive rates. As compared to prior wave-based techniques applied to large scenes with moving sources, we observe significant improvement in runtime memory. The overall sound-propagation and rendering system has been integrated with the Half-Life 2 game engine, Oculus-Rift head-mounted display, and the Xbox game controller to enable users to experience high-quality acoustic effects (e.g., amplification, diffraction low-passing, high-order scattering) and spatial audio, based on their interactions in the VR application. We provide the results of preliminary user evaluations, conducted to study the impact of wave-based acoustic effects and spatial audio on users' navigation performance in virtual environments. PMID:26357093

  16. WAVE: Interactive Wave-based Sound Propagation for Virtual Environments.

    PubMed

    Mehra, Ravish; Rungta, Atul; Golas, Abhinav; Ming Lin; Manocha, Dinesh

    2015-04-01

    We present an interactive wave-based sound propagation system that generates accurate, realistic sound in virtual environments for dynamic (moving) sources and listeners. We propose a novel algorithm to accurately solve the wave equation for dynamic sources and listeners using a combination of precomputation techniques and GPU-based runtime evaluation. Our system can handle large environments typically used in VR applications, compute spatial sound corresponding to listener's motion (including head tracking) and handle both omnidirectional and directional sources, all at interactive rates. As compared to prior wave-based techniques applied to large scenes with moving sources, we observe significant improvement in runtime memory. The overall sound-propagation and rendering system has been integrated with the Half-Life 2 game engine, Oculus-Rift head-mounted display, and the Xbox game controller to enable users to experience high-quality acoustic effects (e.g., amplification, diffraction low-passing, high-order scattering) and spatial audio, based on their interactions in the VR application. We provide the results of preliminary user evaluations, conducted to study the impact of wave-based acoustic effects and spatial audio on users' navigation performance in virtual environments.

  17. Web-based Interactive Landform Simulation Model - Grand Canyon

    NASA Astrophysics Data System (ADS)

    Luo, W.; Pelletier, J. D.; Duffin, K.; Ormand, C. J.; Hung, W.; Iverson, E. A.; Shernoff, D.; Zhai, X.; Chowdary, A.

    2013-12-01

    Earth science educators need interactive tools to engage and enable students to better understand how Earth systems work over geologic time scales. The evolution of landforms is ripe for interactive, inquiry-based learning exercises because landforms exist all around us. The Web-based Interactive Landform Simulation Model - Grand Canyon (WILSIM-GC, http://serc.carleton.edu/landform/) is a continuation and upgrade of the simple cellular automata (CA) rule-based model (WILSIM-CA, http://www.niu.edu/landform/) that can be accessed from anywhere with an Internet connection. Major improvements in WILSIM-GC include adopting a physically based model and the latest Java technology. The physically based model is incorporated to illustrate the fluvial processes involved in land-sculpting pertaining to the development and evolution of one of the most famous landforms on Earth: the Grand Canyon. It is hoped that this focus on a famous and specific landscape will attract greater student interest and provide opportunities for students to learn not only how different processes interact to form the landform we observe today, but also how models and data are used together to enhance our understanding of the processes involved. The latest development in Java technology (such as Java OpenGL for access to ubiquitous fast graphics hardware, Trusted Applet for file input and output, and multithreaded ability to take advantage of modern multi-core CPUs) are incorporated into building WILSIM-GC and active, standards-aligned curricula materials guided by educational psychology theory on science learning will be developed to accompany the model. This project is funded NSF-TUES program.

  18. A Generalized Knowledge-Based Discriminatory Function for Biomolecular Interactions

    PubMed Central

    Bernard, Brady; Samudrala, Ram

    2010-01-01

    Several novel and established knowledge-based discriminatory function formulations and reference state derivations have been evaluated to identify parameter sets capable of distinguishing native and near-native biomolecular interactions from incorrect ones. We developed the r·m·r function, a novel atomic level radial distribution function with mean reference state that averages over all pairwise atom types from a reduced atom type composition, using experimentally determined intermolecular complexes in the Cambridge Structural Database (CSD) and the Protein Data Bank (PDB) as the information sources. We demonstrate that r·m·r had the best discriminatory accuracy and power for protein-small molecule and protein-DNA interactions, regardless of whether the native complex was included or excluded from the test set. The superior performance of the r·m·r discriminatory function compared to seventeen alternative functions evaluated on publicly available test sets for protein-small molecule and protein-DNA interactions indicated that the function was not over optimized through back testing on a single class of biomolecular interactions. The initial success of the reduced composition and superior performance with the CSD as the distribution set over the PDB implies that further improvements and generality of the function are possible by deriving probabilities from subsets of the CSD, using structures that consist of only the atom types to be considered for given biomolecular interactions. The method is available as a web server module at http://protinfo.compbio.washington.edu. PMID:19127590

  19. An Opinion Interactive Model Based on Individual Persuasiveness.

    PubMed

    Zhou, Xin; Chen, Bin; Liu, Liang; Ma, Liang; Qiu, Xiaogang

    2015-01-01

    In order to study the formation process of group opinion in real life, we put forward a new opinion interactive model based on Deffuant model and its improved models in this paper because current models of opinion dynamics lack considering individual persuasiveness. Our model has following advantages: firstly persuasiveness is added to individual's attributes reflecting the importance of persuasiveness, which means that all the individuals are different from others; secondly probability is introduced in the course of interaction which simulates the uncertainty of interaction. In Monte Carlo simulation experiments, sensitivity analysis including the influence of randomness, initial persuasiveness distribution, and number of individuals is studied at first; what comes next is that the range of common opinion based on the initial persuasiveness distribution can be predicted. Simulation experiment results show that when the initial values of agents are fixed, no matter how many times independently replicated experiments, the common opinion will converge at a certain point; however the number of iterations will not always be the same; the range of common opinion can be predicted when initial distribution of opinion and persuasiveness are given. As a result, this model can reflect and interpret some phenomena of opinion interaction in realistic society.

  20. Effective KN interaction based on chiral SU(3) dynamics

    SciTech Connect

    Hyodo, Tetsuo; Weise, Wolfram

    2008-03-15

    The effective KN interaction based on chiral SU(3) coupled-channel dynamics is derived and its extrapolation below the KN threshold is studied in detail. Starting from the coupled-channel scattering equations, we eliminate the channels other than KN and obtain an effective interaction in the single KN channel. An equivalent local potential in coordinate space is constructed such as to reproduce the full scattering amplitude of the chiral SU(3) coupled-channel framework. We discuss several realistic chiral SU(3)-based models in comparison to reach conclusions about the uncertainties involved. It turns out that, in the region relevant to the discussion of deeply bound K-nuclear few-body systems, the resulting energy-dependent, equivalent local potential is substantially less attractive than the one suggested in previous purely phenomenological treatments.

  1. Using Agent Based Modeling (ABM) to Develop Cultural Interaction Simulations

    NASA Technical Reports Server (NTRS)

    Drucker, Nick; Jones, Phillip N.

    2012-01-01

    Today, most cultural training is based on or built around "cultural engagements" or discrete interactions between the individual learner and one or more cultural "others". Often, success in the engagement is the end or the objective. In reality, these interactions usually involve secondary and tertiary effects with potentially wide ranging consequences. The concern is that learning culture within a strict engagement context might lead to "checklist" cultural thinking that will not empower learners to understand the full consequence of their actions. We propose the use of agent based modeling (ABM) to collect, store, and, simulating the effects of social networks, promulgate engagement effects over time, distance, and consequence. The ABM development allows for rapid modification to re-create any number of population types, extending the applicability of the model to any requirement for social modeling.

  2. Quadrupole Beam-Based Alignment in the RHIC Interaction Regions

    SciTech Connect

    T. Satogata, J. Ziegler

    2011-03-01

    Continued beam-based alignment (BBA) efforts have provided significant benefit to both heavy ion and polarized proton operations at RHIC. Recent studies demonstrated previously unknown systematic beam position monitor (BPM) offset errors and produced accurate measurements of individual BPM offsets in the experiment interaction regions. Here we describe the algorithm used to collect and analyze data during the 2010 and early 2011 RHIC runs and the results of these measurements.

  3. Improved physical stability of amorphous state through acid base interactions.

    PubMed

    Telang, Chitra; Mujumdar, Siddharthya; Mathew, Michael

    2009-06-01

    To investigate role of specific interactions in aiding formation and stabilization of amorphous state in ternary and binary dispersions of a weakly acidic drug. Indomethacin (IMC), meglumine (MU), and polyvinyl pyrollidone (PVP) were the model drug, base, and polymer, respectively. Dispersions were prepared using solvent evaporation. Physical mixtures were cryogenically coground. XRPD, PLM, DSC, TGA, and FTIR were used for characterization. MU has a high crystallization tendency and is characterized by a low T(g) (17 degrees C). IMC crystallization was inhibited in ternary dispersion with MU compared to IMC/PVP alone. An amorphous state formed readily even in coground mixtures. Spectroscopic data are indicative of an IMC-MU amorphous salt and supports solid-state proton transfer. IMC-MU salt displays a low T(g) approximately 50 degrees C, but is more physically stable than IMC, which in molecular mixtures with MU, resisted crystallization even when present in stoichiometric excess of base. This is likely due to a disrupted local structure of amorphous IMC due to specific interactions. IMC showed improved physical stability on incorporating MU in polymer, in spite of low T(g) of the base indicating that chemical interactions play a dominant role in physical stabilization. Salt formation could be induced thermally and mechanically.

  4. Defect Interaction in Iron and Iron-based Alloys

    NASA Astrophysics Data System (ADS)

    Xu, Haixuan; Stocks, G. Malcolm; Stoller, Roger

    2014-03-01

    Magnetism has a profound influence on the defect properties in iron and iron-based alloys. For instance, it has been shown from first principles calculations that the helium interstitial occupies the tetrahedral site instead of octahedral site in contrast to all previous work that neglected the magnetic effects. In this study, we explore the effects of magnetism on the defect interaction, primarily interstitial-type defects, in bcc iron and Fe-Cr systems. The magnetic moment change during the interaction of two 1/2 <111>interstitial loops in bcc iron was calculated using the ab initio locally self-consistent multiple-scattering (LSMS) method and a significant fluctuation was observed. Adding Cr significantly modifies the magnetic structure of the defects and defect interactions. In addition, the effects of magnetism on the defect energetics are evaluated. This study provides useful insights on whether magnetism can be used as a effective means to manipulate the defect evolution in iron-based structural alloys. This material is based upon work supported as part of the Center for Defect Physics, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences.

  5. Direct interaction of microtubule- and actin-based transport motors

    NASA Technical Reports Server (NTRS)

    Huang, J. D.; Brady, S. T.; Richards, B. W.; Stenolen, D.; Resau, J. H.; Copeland, N. G.; Jenkins, N. A.

    1999-01-01

    The microtubule network is thought to be used for long-range transport of cellular components in animal cells whereas the actin network is proposed to be used for short-range transport, although the mechanism(s) by which this transport is coordinated is poorly understood. For example, in sea urchins long-range Ca2+-regulated transport of exocytotic vesicles requires a microtubule-based motor, whereas an actin-based motor is used for short-range transport. In neurons, microtubule-based kinesin motor proteins are used for long-range vesicular transport but microtubules do not extend into the neuronal termini, where actin filaments form the cytoskeletal framework, and kinesins are rapidly degraded upon their arrival in neuronal termini, indicating that vesicles may have to be transferred from microtubules to actin tracks to reach their final destination. Here we show that an actin-based vesicle-transport motor, MyoVA, can interact directly with a microtubule-based transport motor, KhcU. As would be expected if these complexes were functional, they also contain kinesin light chains and the localization of MyoVA and KhcU overlaps in the cell. These results indicate that cellular transport is, in part, coordinated through the direct interaction of different motor molecules.

  6. Quantification of Aromaticity Based on Interaction Coordinates: A New Proposal.

    PubMed

    Pandey, Sarvesh Kumar; Manogaran, Dhivya; Manogaran, Sadasivam; Schaefer, Henry F

    2016-05-12

    Attempts to establish degrees of aromaticity in molecules are legion. In the present study, we begin with a fictitious fragment arising from only those atoms contributing to the aromatic ring and having a force field projected from the original system. For example, in benzene, we adopt a fictitious C6 fragment with a force field projected from the full benzene force field. When one bond or angle is stretched and kept fixed, followed by a partial optimization for all other internal coordinates, structures change from their respective equilibria. These changes are the responses of all other internal coordinates for constraining the bond or angle by unit displacements and relaxing the forces on all other internal coordinates. The "interaction coordinate" derived from the redundant internal coordinate compliance constants measures how a bond (its electron density) responds for constrained optimization when another bond or angle is stretched by a specified unit (its electron density is perturbed by a finite amount). The sum of interaction coordinates (responses) of all bonded neighbors for all internal coordinates of the fictitious fragment is a measure of the strength of the σ and π electron interactions leading to aromatic stability. This sum, based on interaction coordinates, appears to be successful as an aromaticity index for a range of chemical systems. Since the concept involves analyzing a fragment rather than the whole molecule, this idea is more general and is likely to lead to new insights.

  7. An interactive tutorial-based training technique for vertebral morphometry.

    PubMed

    Gardner, J C; von Ingersleben, G; Heyano, S L; Chesnut, C H

    2001-01-01

    The purpose of this work was to develop a computer-based procedure for training technologists in vertebral morphometry. The utility of the resulting interactive, tutorial based training method was evaluated in this study. The training program was composed of four steps: (1) review of an online tutorial, (2) review of analyzed spine images, (3) practice in fiducial point placement and (4) testing. During testing, vertebral heights were measured from digital, lateral spine images containing osteoporotic fractures. Inter-observer measurement precision was compared between research technicians, and between technologists and radiologist. The technologists participating in this study had no prior experience in vertebral morphometry. Following completion of the online training program, good inter-observer measurement precision was seen between technologists, showing mean coefficients of variation of 2.33% for anterior, 2.87% for central and 2.65% for posterior vertebral heights. Comparisons between the technicians and radiologist ranged from 2.19% to 3.18%. Slightly better precision values were seen with height measurements compared with height ratios, and with unfractured compared with fractured vertebral bodies. The findings of this study indicate that self-directed, tutorial-based training for spine image analyses is effective, resulting in good inter-observer measurement precision. The interactive tutorial-based approach provides standardized training methods and assures consistency of instructional technique over time.

  8. Physics-based interactive volume manipulation for sharing surgical process.

    PubMed

    Nakao, Megumi; Minato, Kotaro

    2010-05-01

    This paper presents a new set of techniques by which surgeons can interactively manipulate patient-specific volumetric models for sharing surgical process. To handle physical interaction between the surgical tools and organs, we propose a simple surface-constraint-based manipulation algorithm to consistently simulate common surgical manipulations such as grasping, holding and retraction. Our computation model is capable of simulating soft-tissue deformation and incision in real time. We also present visualization techniques in order to rapidly visualize time-varying, volumetric information on the deformed image. This paper demonstrates the success of the proposed methods in enabling the simulation of surgical processes, and the ways in which this simulation facilitates preoperative planning and rehearsal.

  9. Gesture Interaction Browser-Based 3D Molecular Viewer.

    PubMed

    Virag, Ioan; Stoicu-Tivadar, Lăcrămioara; Crişan-Vida, Mihaela

    2016-01-01

    The paper presents an open source system that allows the user to interact with a 3D molecular viewer using associated hand gestures for rotating, scaling and panning the rendered model. The novelty of this approach is that the entire application is browser-based and doesn't require installation of third party plug-ins or additional software components in order to visualize the supported chemical file formats. This kind of solution is suitable for instruction of users in less IT oriented environments, like medicine or chemistry. For rendering various molecular geometries our team used GLmol (a molecular viewer written in JavaScript). The interaction with the 3D models is made with Leap Motion controller that allows real-time tracking of the user's hand gestures. The first results confirmed that the resulting application leads to a better way of understanding various types of translational bioinformatics related problems in both biomedical research and education. PMID:27350455

  10. Interactive cell segmentation based on phase contrast optics.

    PubMed

    Su, Hang; Su, Zhou; Zheng, Shibao; Yang, Hua; Wei, Sha

    2014-01-01

    Cell segmentation in phase contrast microscopy images lays a crucial foundation for numerous subsequent computer-aided cell image analysis, but it encounters many unsolved challenges due to image qualities and artifacts caused by phase contrast optics. Addressing the unsolved challenges, the authors propose an interactive cell segmentation scheme over phase retardation features. After partitioning the images into phase homogeneous atoms, human annotations are propagated to unlabeled atoms over an affinity graph that is learned based on discrimination analysis. Then, an active query strategy is proposed for which the most informative unlabeled atom is selected for annotation, which is also propagated to the other unlabeled atoms. Cell segmentation converges to quality results after several rounds of interactions involving both the user's intentions and characteristics of image features. Experimental results demonstrate that cells with different optical properties are well segmented via the proposed approach.

  11. RPLsh: An Interactive Shell for Stack-based Numerical Computation

    NASA Astrophysics Data System (ADS)

    Rauch, Kevin P.

    RPL shell or RPLsh, is an interactive numerical shell designed to combine the convenience of a hand-held calculator with the computational power and advanced numerical functionality of a workstation. The user interface is modelled after stack-based scientific calculators such as those made by Hewlett-Packard RPL is the name of the Forth-like programming language used in the HP 48 series), but includes many features not found in hand-held devices, such as a multi-threaded kernel with job control, integrated extended precision arithmetic, a large library of special functions, and a dynamic, resizable window display. As a native C/C++ application, it is over 1000 times faster than HP 48 emulators (e.g. Emu48 ) in simple benchmarks; for extended precision numerical analysis, its performance can exceed that of Mathematica by similar amounts. Current development focuses on interactive user functionality, with comprehensive programming and debugging support to follow.

  12. ANNIE - INTERACTIVE PROCESSING OF DATA BASES FOR HYDROLOGIC MODELS.

    USGS Publications Warehouse

    Lumb, Alan M.; Kittle, John L.

    1985-01-01

    ANNIE is a data storage and retrieval system that was developed to reduce the time and effort required to calibrate, verify, and apply watershed models that continuously simulate water quantity and quality. Watershed models have three categories of input: parameters to describe segments of a drainage area, linkage of the segments, and time-series data. Additional goals for ANNIE include the development of software that is easily implemented on minicomputers and some microcomputers and software that has no special requirements for interactive display terminals. Another goal is for the user interaction to be based on the experience of the user so that ANNIE is helpful to the inexperienced user and yet efficient and brief for the experienced user. Finally, the code should be designed so that additional hydrologic models can easily be added to ANNIE.

  13. Optimization-based interactive segmentation interface for multiregion problems.

    PubMed

    Baxter, John S H; Rajchl, Martin; Peters, Terry M; Chen, Elvis C S

    2016-04-01

    Interactive segmentation is becoming of increasing interest to the medical imaging community in that it combines the positive aspects of both manual and automated segmentation. However, general-purpose tools have been lacking in terms of segmenting multiple regions simultaneously with a high degree of coupling between groups of labels. Hierarchical max-flow segmentation has taken advantage of this coupling for individual applications, but until recently, these algorithms were constrained to a particular hierarchy and could not be considered general-purpose. In a generalized form, the hierarchy for any given segmentation problem is specified in run-time, allowing different hierarchies to be quickly explored. We present an interactive segmentation interface, which uses generalized hierarchical max-flow for optimization-based multiregion segmentation guided by user-defined seeds. Applications in cardiac and neonatal brain segmentation are given as example applications of its generality. PMID:27335892

  14. Gesture Interaction Browser-Based 3D Molecular Viewer.

    PubMed

    Virag, Ioan; Stoicu-Tivadar, Lăcrămioara; Crişan-Vida, Mihaela

    2016-01-01

    The paper presents an open source system that allows the user to interact with a 3D molecular viewer using associated hand gestures for rotating, scaling and panning the rendered model. The novelty of this approach is that the entire application is browser-based and doesn't require installation of third party plug-ins or additional software components in order to visualize the supported chemical file formats. This kind of solution is suitable for instruction of users in less IT oriented environments, like medicine or chemistry. For rendering various molecular geometries our team used GLmol (a molecular viewer written in JavaScript). The interaction with the 3D models is made with Leap Motion controller that allows real-time tracking of the user's hand gestures. The first results confirmed that the resulting application leads to a better way of understanding various types of translational bioinformatics related problems in both biomedical research and education.

  15. Aerosol cloud interaction: a multiplatform-scenario-based methodology

    NASA Astrophysics Data System (ADS)

    Landulfo, Eduardo; Lopes, Fabío. J. S.; Guerrero-Rascado, Juan Luis; Alados-Arboledas, Lucas

    2015-10-01

    Suspended atmospheric particles i.e. aerosol particles go through many chemical and physical processes and those interactions and transformations may cause particle change in size, structure and composition regulated by mechanisms, which are also present in clouds. These interactions play a great role in the radiation transfer in the atmosphere and are not completely understood as competing effects might occur which are known as indirect aerosol effects. Performing measurements and experiments in remote sensing to improve the knowledge of these processes are also a challenge. In face of that we propose a multi-platform approach based lidar, sun photometry and satellite observations which should be characterized under a scenario perspective in which given the cloud height, geometric and optical geometries in a diurnal/nocturnal basis will make possible to apply different analytical tools in each a set of product that specify the aerosol present in the vicinity of clouds, their optical and physical properties. These scenarios are meant to aid in tagging the expected products and help in creating a robust database to systematically study the aerosol-cloud interaction.In total we will present 6 scenarios: 3 under daylight conditions, 3 under at nighttime. Each scenario and their counterpart should be able to provide the cloud base/top height, aerosol backscattering profile and cloud optical/geometric thickness. In each instance we should count on a 5 wavelength Raman lidar system measurement, a collocated sun photometer and CALIPSO/MODIS observation from AQUA/TERRA platforms. To further improve the aerosol cloud interaction the Raman lidar system should have a water vapor channel or moreover a liquid water channel. In our study we will present a two-day case study to show the methodology feasibility and its potential application.

  16. Interactive agent based modeling of public health decision-making.

    PubMed

    Parks, Amanda L; Walker, Brett; Pettey, Warren; Benuzillo, Jose; Gesteland, Per; Grant, Juliana; Koopman, James; Drews, Frank; Samore, Matthew

    2009-01-01

    Agent-based models have yielded important insights regarding the transmission dynamics of communicable diseases. To better understand how these models can be used to study decision making of public health officials, we developed a computer program that linked an agent-based model of pertussis with an agent-based model of public health management. The program, which we call the Public Health Interactive Model & simulation (PHIMs) encompassed the reporting of cases to public health, case investigation, and public health response. The user directly interacted with the model in the role of the public health decision-maker. In this paper we describe the design of our model, and present the results of a pilot study to assess its usability and potential for future development. Affinity for specific tools was demonstrated. Participants ranked the program high in usability and considered it useful for training. Our ultimate goal is to achieve better public health decisions and outcomes through use of public health decision support tools. PMID:20351907

  17. Elucidating Interactions between DMSO and Chelate-Based Ionic Liquids.

    PubMed

    Chen, Hang; Wang, Xinyu; Yao, Jia; Chen, Kexian; Guo, Yan; Zhang, Pengfei; Li, Haoran

    2015-12-21

    The C-D bond stretching vibrations of deuterated dimethyl sulfoxide ([D6 ]DMSO) and the C2 -H bond stretching vibrations of 1,1,1,5,5,5-hexafluoropentane-2,4-dione (hfac) ligand in anion are chosen as probes to elucidate the solvent-solute interaction between chelate-based ionic liquids (ILs) and DMSO by vibrational spectroscopic studies. The indirect effect from the interaction of the adjacent S=O functional group of DMSO with the cation [C10 mim](+) and anion [Mn(hfac)3 ](-) of the ILs leads to the blue-shift of the C-D stretching vibrations of DMSO. The C2 -H bond stretching vibrations in hfac ligand is closely related to the ionic hydrogen bond strength between the cation and anion of chelate-based ILs. EPR studies reveal that the crystal field of the central metal is kept when the chelate-based ILs are in different microstructure environment in the solution.

  18. Template-Based Modeling of Protein-RNA Interactions

    PubMed Central

    Zheng, Jinfang; Kundrotas, Petras J.; Vakser, Ilya A.

    2016-01-01

    Protein-RNA complexes formed by specific recognition between RNA and RNA-binding proteins play an important role in biological processes. More than a thousand of such proteins in human are curated and many novel RNA-binding proteins are to be discovered. Due to limitations of experimental approaches, computational techniques are needed for characterization of protein-RNA interactions. Although much progress has been made, adequate methodologies reliably providing atomic resolution structural details are still lacking. Although protein-RNA free docking approaches proved to be useful, in general, the template-based approaches provide higher quality of predictions. Templates are key to building a high quality model. Sequence/structure relationships were studied based on a representative set of binary protein-RNA complexes from PDB. Several approaches were tested for pairwise target/template alignment. The analysis revealed a transition point between random and correct binding modes. The results showed that structural alignment is better than sequence alignment in identifying good templates, suitable for generating protein-RNA complexes close to the native structure, and outperforms free docking, successfully predicting complexes where the free docking fails, including cases of significant conformational change upon binding. A template-based protein-RNA interaction modeling protocol PRIME was developed and benchmarked on a representative set of complexes. PMID:27662342

  19. Mask-based interactive watermarking protocol for video

    NASA Astrophysics Data System (ADS)

    Emmanuel, Sabu; Kankanhalli, Mohan S.

    2001-11-01

    Digital video broadcasting is increasingly being adopted all over the world. The video broadcasters would require that the viewable contents of the pay channels be protected from unauthorized copying and distribution by subscribers, which is copyright protection. The subscribers would require that they be not wrongfully implicated by the broadcasters and thus ensure customer's rights protection. In this paper we present an integrated solution to address the copyright protection and customers rights protection for a video broadcasting environment. The copyright protection is addressed using a mask based watermarking technique and customer's rights protection is obtained through the use of an interactive watermarking protocol.

  20. A prototype system based on visual interactive SDM called VGC

    NASA Astrophysics Data System (ADS)

    Jia, Zelu; Liu, Yaolin; Liu, Yanfang

    2009-10-01

    In many application domains, data is collected and referenced by its geo-spatial location. Spatial data mining, or the discovery of interesting patterns in such databases, is an important capability in the development of database systems. Spatial data mining recently emerges from a number of real applications, such as real-estate marketing, urban planning, weather forecasting, medical image analysis, road traffic accident analysis, etc. It demands for efficient solutions for many new, expensive, and complicated problems. For spatial data mining of large data sets to be effective, it is also important to include humans in the data exploration process and combine their flexibility, creativity, and general knowledge with the enormous storage capacity and computational power of today's computers. Visual spatial data mining applies human visual perception to the exploration of large data sets. Presenting data in an interactive, graphical form often fosters new insights, encouraging the information and validation of new hypotheses to the end of better problem-solving and gaining deeper domain knowledge. In this paper a visual interactive spatial data mining prototype system (visual geo-classify) based on VC++6.0 and MapObject2.0 are designed and developed, the basic algorithms of the spatial data mining is used decision tree and Bayesian networks, and data classify are used training and learning and the integration of the two to realize. The result indicates it's a practical and extensible visual interactive spatial data mining tool.

  1. Quantification of cardiorespiratory interactions based on joint symbolic dynamics.

    PubMed

    Kabir, Muammar M; Saint, David A; Nalivaiko, Eugene; Abbott, Derek; Voss, Andreas; Baumert, Mathias

    2011-10-01

    Cardiac and respiratory rhythms are highly nonlinear and nonstationary. As a result traditional time-domain techniques are often inadequate to characterize their complex dynamics. In this article, we introduce a novel technique to investigate the interactions between R-R intervals and respiratory phases based on their joint symbolic dynamics. To evaluate the technique, electrocardiograms (ECG) and respiratory signals were recorded in 13 healthy subjects in different body postures during spontaneous and controlled breathing. Herein, the R-R time series were extracted from ECG and respiratory phases were obtained from abdomen impedance belts using the Hilbert transform. Both time series were transformed into ternary symbol vectors based on the changes between two successive R-R intervals or respiratory phases. Subsequently, words of different symbol lengths were formed and the correspondence between the two series of words was determined to quantify the interaction between cardiac and respiratory cycles. To validate our results, respiratory sinus arrhythmia (RSA) was further studied using the phase-averaged characterization of the RSA pattern. The percentage of similarity of the sequence of symbols, between the respective words of the two series determined by joint symbolic dynamics, was significantly reduced in the upright position compared to the supine position (26.4 ± 4.7 vs. 20.5 ± 5.4%, p < 0.01). Similarly, RSA was also reduced during upright posture, but the difference was less significant (0.11 ± 0.02 vs. 0.08 ± 0.01 s, p < 0.05). In conclusion, joint symbolic dynamics provides a new efficient technique for the analysis of cardiorespiratory interaction that is highly sensitive to the effects of orthostatic challenge.

  2. Agent Based Modeling of Human Gut Microbiome Interactions and Perturbations

    PubMed Central

    Shashkova, Tatiana; Popenko, Anna; Tyakht, Alexander; Peskov, Kirill; Kosinsky, Yuri; Bogolubsky, Lev; Raigorodskii, Andrei; Ischenko, Dmitry; Alexeev, Dmitry; Govorun, Vadim

    2016-01-01

    Background Intestinal microbiota plays an important role in the human health. It is involved in the digestion and protects the host against external pathogens. Examination of the intestinal microbiome interactions is required for understanding of the community influence on host health. Studies of the microbiome can provide insight on methods of improving health, including specific clinical procedures for individual microbial community composition modification and microbiota correction by colonizing with new bacterial species or dietary changes. Methodology/Principal Findings In this work we report an agent-based model of interactions between two bacterial species and between species and the gut. The model is based on reactions describing bacterial fermentation of polysaccharides to acetate and propionate and fermentation of acetate to butyrate. Antibiotic treatment was chosen as disturbance factor and used to investigate stability of the system. System recovery after antibiotic treatment was analyzed as dependence on quantity of feedback interactions inside the community, therapy duration and amount of antibiotics. Bacterial species are known to mutate and acquire resistance to the antibiotics. The ability to mutate was considered to be a stochastic process, under this suggestion ratio of sensitive to resistant bacteria was calculated during antibiotic therapy and recovery. Conclusion/Significance The model confirms a hypothesis of feedbacks mechanisms necessity for providing functionality and stability of the system after disturbance. High fraction of bacterial community was shown to mutate during antibiotic treatment, though sensitive strains could become dominating after recovery. The recovery of sensitive strains is explained by fitness cost of the resistance. The model demonstrates not only quantitative dynamics of bacterial species, but also gives an ability to observe the emergent spatial structure and its alteration, depending on various feedback mechanisms

  3. Interactive Webmap-Based Science Planning for BepiColombo

    NASA Astrophysics Data System (ADS)

    McAuliffe, J.; Martinez, S.; Ortiz de Landaluce, I.; de la Fuente, S.

    2015-10-01

    For BepiColombo, ESA's Mission to Mercury, we will build a web-based, map-based interface to the Science Planning System. This interface will allow the mission's science teams to visually define targets for observations and interactively specify what operations will make up the given observation. This will be a radical departure from previous ESA mission planning methods. Such an interface will rely heavily on GIS technologies. This interface will provide footprint coverage of all existing archived data for Mercury, including a set of built-in basemaps. This will allow the science teams to analyse their planned observations and operational constraints with relevant contextual information from their own instrument, other BepiColombo instruments or from previous missions. The interface will allow users to import and export data in commonly used GIS formats, such that it can be visualised together with the latest planning information (e.g. import custom basemaps) or analysed in other GIS software. The interface will work with an object-oriented concept of an observation that will be a key characteristic of the overall BepiColombo scienceplanning concept. Observation templates or classes will be tracked right through the planning-executionprocessing- archiving cycle to the final archived science products. By using an interface that synthesises all relevant available information, the science teams will have a better understanding of the operational environment; it will enhance their ability to plan efficiently minimising or removing manual planning. Interactive 3D visualisation of the planned, scheduled and executed observations, simulation of the viewing conditions and interactive modification of the observation parameters are also being considered.

  4. The Interactive Minority Game: a Web-based investigation of human market interactions

    NASA Astrophysics Data System (ADS)

    Laureti, Paolo; Ruch, Peter; Wakeling, Joseph; Zhang, Yi-Cheng

    2004-01-01

    The unprecedented access offered by the World Wide Web brings with it the potential to gather huge amounts of data on human activities. Here we exploit this by using a toy model of financial markets, the Minority Game (MG), to investigate human speculative trading behaviour and information capacity. Hundreds of individuals have played a total of tens of thousands of game turns against computer-controlled agents in the Web-based Interactive Minority Game. The analytical understanding of the MG permits fine-tuning of the market situations encountered, allowing for investigation of human behaviour in a variety of controlled environments. In particular, our results indicate a transition in players’ decision-making, as the markets become more difficult, between deductive behaviour making use of short-term trends in the market, and highly repetitive behaviour that ignores entirely the market history, yet outperforms random decision-making.

  5. The Use of a Web-Based Classroom Interaction System in Introductory Physics Classes

    NASA Astrophysics Data System (ADS)

    Corpuz, Edgar D.; Corpuz, Ma. Aileen A.; Rosalez, Rolando

    2010-10-01

    A web-based interaction system was used in algebra-based and calculus-based physics classes to enhance students' classroom interaction. The interactive teaching approach primarily incorporated elements of Mazur's Peer Instruction and Interactive Lecture Demonstration. In our implementation, students used personal digital assistants (PDAs) to interact with their instructor during lecture and classroom demonstration. In this paper, we document the perceptions and attitudes of algebra-based and calculus-based physics students towards the interactive teaching approach and likewise present data on how this approach affected students' performance on the Force Concept Inventory (FCI).

  6. Interactive Web-based tutorials for teaching digital electronics

    NASA Astrophysics Data System (ADS)

    Bailey, Donald G.

    2000-10-01

    With a wide range of student abilities in a class, it is difficult to effectively teach and stimulate all students. A series of web based tutorials was designed to help weaker students and stretch the stronger students. The tutorials consist of a series of HTML web pages with embedded Java applets. This combination is particularly powerful for providing interactive demonstrations because any textual content may be easily provided within the web page. The applet is able to be a compete working program that dynamically illustrates the concept, or provides a working environment for the student to experiment and work through their solution. The applet is dynamic, and responds to the student through both mouse clicks and keyboard entry. These allow the student to adjust parameters, make selections, and affect the way the program is run or information is displayed. Such interaction allows each applet to provide a mini demonstration or experiment to help the student understand a particular concept or technique. The approach taken is illustrated with a tutorial that dynamically shows the relationships between a truth table, Karnaugh amp, logic circuit and Boolean algebra representations of a logic function, and dramatically illustrates the effect of minimization on the resultant circuit. Use of the tutorial has resulted in significant benefits, particularly with weaker students.

  7. Ultrasonic power measurement system based on acousto-optic interaction

    NASA Astrophysics Data System (ADS)

    He, Liping; Zhu, Fulong; Chen, Yanming; Duan, Ke; Lin, Xinxin; Pan, Yongjun; Tao, Jiaquan

    2016-05-01

    Ultrasonic waves are widely used, with applications including the medical, military, and chemical fields. However, there are currently no effective methods for ultrasonic power measurement. Previously, ultrasonic power measurement has been reliant on mechanical methods such as hydrophones and radiation force balances. This paper deals with ultrasonic power measurement based on an unconventional method: acousto-optic interaction. Compared with mechanical methods, the optical method has a greater ability to resist interference and also has reduced environmental requirements. Therefore, this paper begins with an experimental determination of the acoustic power in water contained in a glass tank using a set of optical devices. Because the light intensity of the diffraction image generated by acousto-optic interaction contains the required ultrasonic power information, specific software was written to extract the light intensity information from the image through a combination of filtering, binarization, contour extraction, and other image processing operations. The power value can then be obtained rapidly by processing the diffraction image using a computer. The results of this work show that the optical method offers advantages that include accuracy, speed, and a noncontact measurement method.

  8. Ultrasonic power measurement system based on acousto-optic interaction.

    PubMed

    He, Liping; Zhu, Fulong; Chen, Yanming; Duan, Ke; Lin, Xinxin; Pan, Yongjun; Tao, Jiaquan

    2016-05-01

    Ultrasonic waves are widely used, with applications including the medical, military, and chemical fields. However, there are currently no effective methods for ultrasonic power measurement. Previously, ultrasonic power measurement has been reliant on mechanical methods such as hydrophones and radiation force balances. This paper deals with ultrasonic power measurement based on an unconventional method: acousto-optic interaction. Compared with mechanical methods, the optical method has a greater ability to resist interference and also has reduced environmental requirements. Therefore, this paper begins with an experimental determination of the acoustic power in water contained in a glass tank using a set of optical devices. Because the light intensity of the diffraction image generated by acousto-optic interaction contains the required ultrasonic power information, specific software was written to extract the light intensity information from the image through a combination of filtering, binarization, contour extraction, and other image processing operations. The power value can then be obtained rapidly by processing the diffraction image using a computer. The results of this work show that the optical method offers advantages that include accuracy, speed, and a noncontact measurement method. PMID:27250458

  9. Interactive brain shift compensation using GPU based programming

    NASA Astrophysics Data System (ADS)

    van der Steen, Sander; Noordmans, Herke Jan; Verdaasdonk, Rudolf

    2009-02-01

    Processing large images files or real-time video streams requires intense computational power. Driven by the gaming industry, the processing power of graphic process units (GPUs) has increased significantly. With the pixel shader model 4.0 the GPU can be used for image processing 10x faster than the CPU. Dedicated software was developed to deform 3D MR and CT image sets for real-time brain shift correction during navigated neurosurgery using landmarks or cortical surface traces defined by the navigation pointer. Feedback was given using orthogonal slices and an interactively raytraced 3D brain image. GPU based programming enables real-time processing of high definition image datasets and various applications can be developed in medicine, optics and image sciences.

  10. Evolving effective behaviours to interact with tag-based populations

    NASA Astrophysics Data System (ADS)

    Yucel, Osman; Crawford, Chad; Sen, Sandip

    2015-07-01

    Tags and other characteristics, externally perceptible features that are consistent among groups of animals or humans, can be used by others to determine appropriate response strategies in societies. This usage of tags can be extended to artificial environments, where agents can significantly reduce cognitive effort spent on appropriate strategy choice and behaviour selection by reusing strategies for interacting with new partners based on their tags. Strategy selection mechanisms developed based on this idea have successfully evolved stable cooperation in games such as the Prisoner's Dilemma game but relies upon payoff sharing and matching methods that limit the applicability of the tag framework. Our goal is to develop a general classification and behaviour selection approach based on the tag framework. We propose and evaluate alternative tag matching and adaptation schemes for a new, incoming individual to select appropriate behaviour against any population member of an existing, stable society. Our proposed approach allows agents to evolve both the optimal tag for the environment as well as appropriate strategies for existing agent groups. We show that these mechanisms will allow for robust selection of optimal strategies by agents entering a stable society and analyse the various environments where this approach is effective.

  11. Chemical interaction matrix between reagents in a Purex based process

    SciTech Connect

    Brahman, R.K.; Hennessy, W.P.; Paviet-Hartmann, P.

    2008-07-01

    The United States Department of Energy (DOE) is the responsible entity for the disposal of the United States excess weapons grade plutonium. DOE selected a PUREX-based process to convert plutonium to low-enriched mixed oxide fuel for use in commercial nuclear power plants. To initiate this process in the United States, a Mixed Oxide (MOX) Fuel Fabrication Facility (MFFF) is under construction and will be operated by Shaw AREVA MOX Services at the Savannah River Site. This facility will be licensed and regulated by the U.S. Nuclear Regulatory Commission (NRC). A PUREX process, similar to the one used at La Hague, France, will purify plutonium feedstock through solvent extraction. MFFF employs two major process operations to manufacture MOX fuel assemblies: (1) the Aqueous Polishing (AP) process to remove gallium and other impurities from plutonium feedstock and (2) the MOX fuel fabrication process (MP), which processes the oxides into pellets and manufactures the MOX fuel assemblies. The AP process consists of three major steps, dissolution, purification, and conversion, and is the center of the primary chemical processing. A study of process hazards controls has been initiated that will provide knowledge and protection against the chemical risks associated from mixing of reagents over the life time of the process. This paper presents a comprehensive chemical interaction matrix evaluation for the reagents used in the PUREX-based process. Chemical interaction matrix supplements the process conditions by providing a checklist of any potential inadvertent chemical reactions that may take place. It also identifies the chemical compatibility/incompatibility of the reagents if mixed by failure of operations or equipment within the process itself or mixed inadvertently by a technician in the laboratories. (aut0010ho.

  12. Using Interactive Simulations in Assessment: The Use of Computer-Based Interactive Simulations in the Assessment of Statistical Concepts

    ERIC Educational Resources Information Center

    Neumann, David L.

    2010-01-01

    Interactive computer-based simulations have been applied in several contexts to teach statistical concepts in university level courses. In this report, the use of interactive simulations as part of summative assessment in a statistics course is described. Students accessed the simulations via the web and completed questions relating to the…

  13. Interactive Multimedia and Model-based Learning in Biology.

    ERIC Educational Resources Information Center

    Buckley, Barbara C.

    2000-01-01

    Documents a case of model-building in biology through microanalysis of one student's interaction with "Science for Living: The Circulatory System (SFL)", an interactive multimedia resource prototype for research. Describes the student's learning goals, gains, and activities with particular attention to interactions with representations, then…

  14. Photon-Electron Interactions in Graphene-Based Heterojunctions

    NASA Astrophysics Data System (ADS)

    Liu, Fangze

    Graphene, a single layer of carbon atoms arranged in honeycomb lattice, has been one of the most attractive materials for fundamental and applied research in the past decade. Its unique electronic, optical, thermal, chemical and mechanical properties have lead to the discovery of new physics and many promising applications. In particular, research on photon-electron interaction in graphene-based heterojunctions has revealed a new route to design photoactive devices. In this thesis, I present our work on the synthesis of graphene by chemical vapor deposition (CVD) and the study of graphene-based optoelectronic devices. In addition to the conventional synthesis of graphene on copper (Cu) foils, we also present the CVD synthesis of graphene on a new substrate: palladium (Pd). Especially, we performed detailed study of the nucleation, evolution and morphology of graphene growth on Pd substrate. It helps us to understand the growth reaction mechanism and achieve controllable synthesis of graphene from single layer to multiple layers with different morphologies. We then studied the broadband and ultrasensitive photocurrent and photovoltage response of graphene/silicon (Si) Schottky diodes. For the same architecture, we identified a new photoconductive mode with ultra high photoconductive gain, namely "quantum carrier reinvestment (QCR)". A gain exceeding 107 A/W was demonstrated. The underlying physics of photon-electron interactions in these junctions were studied by a combination of optical characterization tools including Raman spectroscopy, UV-Vis spectroscopy and scanning optical microscopy. The results obtained have been discussed in the framework of the unique electronic band structure, density states, and mobility of graphene, along with the manner in witch photoexcited carrier behave under various externally tuned parameters. We also systematically studied the optimization of performance of graphene/Si and thin transparent graphite/Si junction solar cells and

  15. Evaluating Types of Students' Interactions in a Wiki-Based Collaborative Learning Project

    ERIC Educational Resources Information Center

    Prokofieva, Maria

    2013-01-01

    Wiki technology has been promoted as a collaborative software platform. This study investigates interactions that occur in a wiki-based collaborative learning project. The study draws on interaction literature and investigates the types of interactions with which students are engaged in wiki-based group projects, clusters that reflect online…

  16. Optimization Model for Web Based Multimodal Interactive Simulations

    PubMed Central

    Halic, Tansel; Ahn, Woojin; De, Suvranu

    2015-01-01

    This paper presents a technique for optimizing the performance of web based multimodal interactive simulations. For such applications where visual quality and the performance of simulations directly influence user experience, overloading of hardware resources may result in unsatisfactory reduction in the quality of the simulation and user satisfaction. However, optimization of simulation performance on individual hardware platforms is not practical. Hence, we present a mixed integer programming model to optimize the performance of graphical rendering and simulation performance while satisfying application specific constraints. Our approach includes three distinct phases: identification, optimization and update. In the identification phase, the computing and rendering capabilities of the client device are evaluated using an exploratory proxy code. This data is utilized in conjunction with user specified design requirements in the optimization phase to ensure best possible computational resource allocation. The optimum solution is used for rendering (e.g. texture size, canvas resolution) and simulation parameters (e.g. simulation domain) in the update phase. Test results are presented on multiple hardware platforms with diverse computing and graphics capabilities to demonstrate the effectiveness of our approach. PMID:26085713

  17. Sensing Landscape History with an Interactive Location Based Service

    PubMed Central

    van Lammeren, Ron; Goossen, Martin; Roncken, Paul

    2009-01-01

    This paper introduces the STEAD approach for interpreting data acquired by a “human sensor”, who uses an informal interactive location-based service (iLBS) to sense cultural-historic facts and anecdotes of, and in the landscape. This user-generated data is collected outdoors and in situ. The approach consists of four related facets (who, what, where, when). Three of the four facets are discussed and illustrated by user generated data collected during a Dutch survey in 2008. These data represent the personal cultural-historic knowledge and anecdotes of 150 people using a customized iLBS for experiencing the cultural history of a landscape. The “who” facet shows three dominant mentality groups (cosmopolitans, modern materialists and post modern hedonists) that generated user content. The “what” facet focuses on three subject types of pictures and four picture framing classes. Pictures of the place type showed to be dominant and foreground framing class was slightly favourite. The “where” facet is explored via density, distribution, and distance of the pictures made. The illustrations of the facets indirectly show the role of the “human sensor” with respect to the domain of interest. The STEAD approach needs further development of the when-facet and of the relations between the four facets. Finally the results of the approach may support data archives of iLBS applications. PMID:22399994

  18. Quadrupole beam-based alignment in the RHIC interaction regions

    SciTech Connect

    Ziegler, J.; Satogata, T.

    2011-03-28

    Continued beam-based alignment (BBA) efforts have provided significant benefit to both heavy ion and polarized proton operations at RHIC. Recent studies demonstrated previously unknown systematic beam position monitor (BPM) offset errors and produced accurate measurements of individual BPM offsets in the experiment interaction regions. Here we describe the algorithm used to collect and analyze data during the 2010 and early 2011 RHIC runs and the results of these measurements. BBA data has been collected over the past two runs for all three of the active experimental IRs at RHIC, updating results from the 2005 run which were taken with incorrectly installed offsets. The technique was successfully applied to expose a systematic misuse of the BPM survey offsets in the control system. This is likely to benefit polarized proton operations as polarization transmission through acceleration ramps depends on RMS orbit control in the arcs, but a quantitative understanding of its impact is still under active investigation. Data taking is ongoing as are refinements to the BBA technique aimed at reducing systematic errors and properly accounting for dispersive effects. Further development may focus on non-triplet BPMs such as those located near snakes, or arc quadrupoles that do not have individually shunted power supplies (a prerequisite for the current method) and as such, will require a modified procedure.

  19. Optical immunoassay systems based upon evanescent wave interactions

    NASA Astrophysics Data System (ADS)

    Christensen, Douglas A.; Herron, James N.

    1996-04-01

    Immunoassays based upon evanescent wave interactions are finding increased biosensing application. In these devices, the evanescent tail associated with total internal reflection of an incident beam at the substrate/solution interface provides sensitivity for surface-bound protein over bulk molecules, allowing homogeneous assays and real-time measurement of binding dynamics. Among such systems are surface plasmon resonance sensors and a resonant mirror device. Several research groups are also developing fluorescent fiberoptic or planar waveguide sensors for biomedical applications. We describe a second-generation planar waveguide fluoroimmunoassay system being developed in our laboratory which uses a molded polystyrene sensor. The 633-nm beam from a laser diode is focused into the 500 micrometer- thick planar waveguide by an integral lens. Antibodies to the desired analyte (hCG) are immobilized on the waveguide surface and fluorescence from bound analyte/tracer antibodies in a sandwich format is imaged onto the detector. The geometry of the waveguide allows several zones to be detected, providing the capability for on-sensor calibration. This sensor has shown picomolar sensitivity for the detection of hCG.

  20. Movement-Based Interaction Applied to Physical Rehabilitation Therapies

    PubMed Central

    Ruiz Penichet, Victor Manuel; Lozano Pérez, María Dolores

    2014-01-01

    Background Health care environments are continuously improving conditions, especially regarding the use of current technology. In the field of rehabilitation, the use of video games and related technology has helped to develop new rehabilitation procedures. Patients are able to work on their disabilities through new processes that are more motivating and entertaining. However, these patients are required to leave their home environment to complete their rehabilitation programs. Objective The focus of our research interests is on finding a solution to eliminate the need for patients to interrupt their daily routines to attend rehabilitation therapy. We have developed an innovative system that allows patients with a balance disorder to perform a specific rehabilitation exercise at home. Additionally, the system features an assistive tool to complement the work of physiotherapists. Medical staff are thus provided with a system that avoids the need for them to be present during the exercise in specific cases in which patients are under suitable supervision. Methods A movement-based interaction device was used to achieve a reliable system for monitoring rehabilitation exercises performed at home. The system accurately utilizes parameters previously defined by the specialist for correct performance of the exercise. Accordingly, the system gives instructions and corrects the patient’s actions. The data generated during the session are collected for assessment by the specialist to adapt the difficulty of the exercise to the patient’s progress. Results The evaluation of the system was conducted by two experts in balance disorder rehabilitation. They were required to verify the effectiveness of the system, and they also facilitated the simulation of real patient behavior. They used the system freely for a period of time and provided interesting and optimistic feedback. First, they evaluated the system as a tool for real-life rehabilitation therapy. Second, their

  1. Investigating the Communicative Outcomes of Task-Based Interaction.

    ERIC Educational Resources Information Center

    Yule, George; Powers, Maggie

    1994-01-01

    Studied communicative outcomes of nonnative speaker interactions and presents a methodological framework for the analysis of different solutions to referential problems encountered in a task. The framework permits identification of what types of participation arrangements might result in more or less beneficial interactions for learners. (Contains…

  2. Natural Interaction Based Online Military Boxing Learning System

    ERIC Educational Resources Information Center

    Yang, Chenglei; Wang, Lu; Sun, Bing; Yin, Xu; Wang, Xiaoting; Liu, Li; Lu, Lin

    2013-01-01

    Military boxing, a kind of Chinese martial arts, is widespread and health beneficial. In this paper, the authors introduce a military boxing learning system realized by 3D motion capture, Web3D and 3D interactive technologies. The interactions with the system are natural and intuitive. Users can observe and learn the details of each action of the…

  3. Apparatus and method for determining microscale interactions based on compressive sensors such as crystal structures

    DOEpatents

    McAdams, Harley; AlQuraishi, Mohammed

    2015-04-21

    Techniques for determining values for a metric of microscale interactions include determining a mesoscale metric for a plurality of mesoscale interaction types, wherein a value of the mesoscale metric for each mesoscale interaction type is based on a corresponding function of values of the microscale metric for the plurality of the microscale interaction types. A plurality of observations that indicate the values of the mesoscale metric are determined for the plurality of mesoscale interaction types. Values of the microscale metric are determined for the plurality of microscale interaction types based on the plurality of observations and the corresponding functions and compressed sensing.

  4. Interaction Junk: User Interaction-Based Evaluation of Visual Analytic Systems

    SciTech Connect

    Endert, Alexander; North, Chris

    2012-10-14

    With the growing need for visualization to aid users in understanding large, complex datasets, the ability for users to interact and explore these datasets is critical. As visual analytic systems have advanced to leverage powerful computational models and data analytics capabilities, the modes by which users engage and interact with the information are limited. Often, users are taxed with directly manipulating parameters of these models through traditional GUIs (e.g., using sliders to directly manipulate the value of a parameter). However, the purpose of user interaction in visual analytic systems is to enable visual data exploration – where users can focus on their task, as opposed to the tool or system. As a result, users can engage freely in data exploration and decision-making, for the purpose of gaining insight. In this position paper, we discuss how evaluating visual analytic systems can be approached through user interaction analysis, where the goal is to minimize the cognitive translation between the visual metaphor and the mode of interaction (i.e., reducing the “Interactionjunk”). We motivate this concept through a discussion of traditional GUIs used in visual analytics for direct manipulation of model parameters, and the importance of designing interactions the support visual data exploration.

  5. In Interactive, Web-Based Approach to Metadata Authoring

    NASA Technical Reports Server (NTRS)

    Pollack, Janine; Wharton, Stephen W. (Technical Monitor)

    2001-01-01

    NASA's Global Change Master Directory (GCMD) serves a growing number of users by assisting the scientific community in the discovery of and linkage to Earth science data sets and related services. The GCMD holds over 8000 data set descriptions in Directory Interchange Format (DIF) and 200 data service descriptions in Service Entry Resource Format (SERF), encompassing the disciplines of geology, hydrology, oceanography, meteorology, and ecology. Data descriptions also contain geographic coverage information, thus allowing researchers to discover data pertaining to a particular geographic location, as well as subject of interest. The GCMD strives to be the preeminent data locator for world-wide directory level metadata. In this vein, scientists and data providers must have access to intuitive and efficient metadata authoring tools. Existing GCMD tools are not currently attracting. widespread usage. With usage being the prime indicator of utility, it has become apparent that current tools must be improved. As a result, the GCMD has released a new suite of web-based authoring tools that enable a user to create new data and service entries, as well as modify existing data entries. With these tools, a more interactive approach to metadata authoring is taken, as they feature a visual "checklist" of data/service fields that automatically update when a field is completed. In this way, the user can quickly gauge which of the required and optional fields have not been populated. With the release of these tools, the Earth science community will be further assisted in efficiently creating quality data and services metadata. Keywords: metadata, Earth science, metadata authoring tools

  6. Interactive, Computer-Based Training Program for Radiological Workers

    SciTech Connect

    Trinoskey, P.A.; Camacho, P.I.; Wells, L.

    2000-01-18

    Lawrence Livermore National Laboratory (LLNL) is redesigning its Computer-Based Training (CBT) program for radiological workers. The redesign represents a major effort to produce a single, highly interactive and flexible CBT program that will meet the training needs of a wide range of radiological workers--from researchers and x-ray operators to individuals working in tritium, uranium, plutonium, and accelerator facilities. The new CBT program addresses the broad diversity of backgrounds found at a national laboratory. When a training audience is homogeneous in terms of education level and type of work performed, it is difficult to duplicate the effectiveness of a flexible, technically competent instructor who can tailor a course to the express needs and concerns of a course's participants. Unfortunately, such homogeneity is rare. At LLNL, they have a diverse workforce engaged in a wide range of radiological activities, from the fairly common to the quite exotic. As a result, the Laboratory must offer a wide variety of radiological worker courses. These include a general contamination-control course in addition to radioactive-material-handling courses for both low-level laboratory (i.e., bench-top) activities as well as high-level work in tritium, uranium, and plutonium facilities. They also offer training courses for employees who work with radiation-generating devices--x-ray, accelerator, and E-beam operators, for instance. However, even with the number and variety of courses the Laboratory offers, they are constrained by the diversity of backgrounds (i.e., knowledge and experience) of those to be trained. Moreover, time constraints often preclude in-depth coverage of site- and/or task-specific details. In response to this situation, several years ago LLNL began moving toward computer-based training for radiological workers. Today, that CBT effort includes a general radiological safety course developed by the Department of Energy's Hanford facility and a

  7. A reliability measure of protein-protein interactions and a reliability measure-based search engine.

    PubMed

    Park, Byungkyu; Han, Kyungsook

    2010-02-01

    Many methods developed for estimating the reliability of protein-protein interactions are based on the topology of protein-protein interaction networks. This paper describes a new reliability measure for protein-protein interactions, which does not rely on the topology of protein interaction networks, but expresses biological information on functional roles, sub-cellular localisations and protein classes as a scoring schema. The new measure is useful for filtering many spurious interactions, as well as for estimating the reliability of protein interaction data. In particular, the reliability measure can be used to search protein-protein interactions with the desired reliability in databases. The reliability-based search engine is available at http://yeast.hpid.org. We believe this is the first search engine for interacting proteins, which is made available to public. The search engine and the reliability measure of protein interactions should provide useful information for determining proteins to focus on.

  8. The in Silico Insight into Carbon Nanotube and Nucleic Acid Bases Interaction

    PubMed Central

    Karimi, Ali Asghar; Ghalandari, Behafarid; Tabatabaie, Seyed Saleh; Farhadi, Mohammad

    2016-01-01

    Background To explore practical applications of carbon nanotubes (CNTs) in biomedical fields the properties of their interaction with biomolecules must be revealed. Recent years, the interaction of CNTs with biomolecules is a subject of research interest for practical applications so that previous research explored that CNTs have complementary structure properties with single strand DNA (ssDNA). Objectives Hence, the quantum mechanics (QM) method based on ab initio was used for this purpose. Therefore values of binding energy, charge distribution, electronic energy and other physical properties of interaction were studied for interaction of nucleic acid bases and SCNT. Materials and Methods In this study, the interaction between nucleic acid bases and a (4, 4) single-walled carbon nanotube (SCNT) were investigated through calculations within quantum mechanics (QM) method at theoretical level of Hartree-Fock (HF) method using 6-31G basis set. Hence, the physical properties such as electronic energy, total dipole moment, charge distributions and binding energy of nucleic acid bases interaction with SCNT were investigated based on HF method. Results It has been found that the guanine base adsorption is bound stronger to the outer surface of nanotube in comparison to the other bases, consistent with the recent theoretical studies. In the other words, the results explored that guanine interaction with SCNT has optimum level of electronic energy so that their interaction is stable. Also, the calculations illustrated that SCNT interact to nucleic acid bases by noncovalent interaction because of charge distribution an electrostatic area is created in place of interaction. Conclusions Consequently, small diameter SCNT interaction with nucleic acid bases is noncovalent. Also, the results revealed that small diameter SCNT interaction especially SCNT (4, 4) with nucleic acid bases can be useful in practical application area of biomedical fields such detection and drug delivery

  9. Faculty Choice and Student Perception of Web-Based Technologies for Interaction in Online Economics Courses

    ERIC Educational Resources Information Center

    Morris, Olivia

    2012-01-01

    This research investigated faculty choice of web-based technologies for interaction in online economics courses and students' perception of those technologies. The literature review of online interaction has established the importance of learner-learner, learner-instructor and learner-content interaction in distance learning. However, some…

  10. Molecular microenvironments: Solvent interactions with nucleic acid bases and ions

    NASA Technical Reports Server (NTRS)

    Macelroy, R. D.; Pohorille, A.

    1986-01-01

    The possibility of reconstructing plausible sequences of events in prebiotic molecular evolution is limited by the lack of fossil remains. However, with hindsight, one goal of molecular evolution was obvious: the development of molecular systems that became constituents of living systems. By understanding the interactions among molecules that are likely to have been present in the prebiotic environment, and that could have served as components in protobiotic molecular systems, plausible evolutionary sequences can be suggested. When stable aggregations of molecules form, a net decrease in free energy is observed in the system. Such changes occur when solvent molecules interact among themselves, as well as when they interact with organic species. A significant decrease in free energy, in systems of solvent and organic molecules, is due to entropy changes in the solvent. Entropy-driven interactioins played a major role in the organization of prebiotic systems, and understanding the energetics of them is essential to understanding molecular evolution.

  11. Dipole-based description of the pp interaction

    NASA Astrophysics Data System (ADS)

    Kovalenko, V. N.

    2015-09-01

    We consider inelastic proton-proton interactions at high energies in transverse spatial coordinates. Colliding hadrons are represented as ensembles of color dipoles. We use prescriptions of the M¨uller dipole cascade model for the elementary interaction probability. Multiparton interactions are taken into account in the framework of the eikonal approach. We consider two variants of the model, namely, with and without confinement taken into account. We obtain the asymptotic form of the collision profile function for large impact parameters. We use the considered approach to find the slope of the diffraction cone in elastic pp scattering at high energies and compare our results with other models describing profile functions and with the experimental data.

  12. Interactive image segmentation framework based on control theory

    NASA Astrophysics Data System (ADS)

    Zhu, Liangjia; Kolesov, Ivan; Ratner, Vadim; Karasev, Peter; Tannenbaum, Allen

    2015-03-01

    Segmentation of anatomical structures in medical imagery is a key step in a variety of clinical applications. Designing a generic, automated method that works for various structures and imaging modalities is a daunting task. Instead of proposing a new specific segmentation algorithm, in this paper, we present a general design principle on how to integrate user interactions from the perspective of control theory. In this formulation, Lyapunov stability analysis is employed to design an interactive segmentation system. The effectiveness and robustness of the proposed method are demonstrated.

  13. Interactive Learning with Java Applets: Using Interactive, Web-Based Java Applets to Present Science in a Concrete, Meaningful Manner

    ERIC Educational Resources Information Center

    Corder, Greg

    2005-01-01

    Science teachers face challenges that affect the quality of instruction. Tight budgets, limited resources, school schedules, and other obstacles limit students' opportunities to experience science that is visual and interactive. Incorporating web-based Java applets into science instruction offers a practical solution to these challenges. The…

  14. Using Interactive Science Notebooks for Inquiry-Based Science

    ERIC Educational Resources Information Center

    Chesbro, Robert

    2006-01-01

    The interactive science notebook (ISN) is a perfect opportunity for science educators to encapsulate and promote the most cutting-edge constructivist teaching strategies while simultaneously addressing standards, differentiation of instruction, literacy development, and maintenance of an organized notebook as laboratory and field scientists do.…

  15. Web-Based Interactive Visualization in an Information Retrieval Course.

    ERIC Educational Resources Information Center

    Brusilovsky, Peter

    Interactive visualization is a powerful educational tool. It has been used to enhance the teaching of various subjects from computer science to chemistry to engineering. In computer science education, this powerful tool is used almost exclusively in programming and data structure courses. This paper suggests that visualization could be very…

  16. 3did: a catalog of domain-based interactions of known three-dimensional structure.

    PubMed

    Mosca, Roberto; Céol, Arnaud; Stein, Amelie; Olivella, Roger; Aloy, Patrick

    2014-01-01

    The database of 3D interacting domains (3did, available online for browsing and bulk download at http://3did.irbbarcelona.org) is a catalog of protein-protein interactions for which a high-resolution 3D structure is known. 3did collects and classifies all structural templates of domain-domain interactions in the Protein Data Bank, providing molecular details for such interactions. The current version also includes a pipeline for the discovery and annotation of novel domain-motif interactions. For every interaction, 3did identifies and groups different binding modes by clustering similar interfaces into 'interaction topologies'. By maintaining a constantly updated collection of domain-based structural interaction templates, 3did is a reference source of information for the structural characterization of protein interaction networks. 3did is updated every 6 months.

  17. Interactive web-based Earth visualization telling the earth science story.

    NASA Astrophysics Data System (ADS)

    Stein, C.

    2006-12-01

    Interactive earth visualization applications provide a new level of understanding of complex spatial and time based environmental information. GeoFusion's earth visualization tools provide a web-based platform for sharing results of scientific research. One hundred years of predicted sea ice coverage is animated on an interactive globe in a web page. Watershed visualization comes alive with interactive control of terrain, map, satellite, and digital raster graph layers. Animating NASA's Blue Marble Next Generation half kilometer monthly datasets becomes a background for discussing yearly earth cycles. GeoFusion's tools are used for creating custom museum and web-based applications that engage users in an interactive exploration of environmental phenomena.

  18. Java-based Interactive Illustrations for Studio Physics

    NASA Astrophysics Data System (ADS)

    Malak, Michael; Wilson, Jack

    1997-04-01

    We have written a series of interactive demonstrations and simulations for introductory Electricity and Magnetism. These programs are written in the Java (TM) language and are delivered via the World-Wide Web to students either in the classroom or at home. The combination of such interactive illustrations with the Web's hypermedia capability is of significant value in the creation of network-distributable useful courseware. We are using these applets at Rensselaer and are evaluating their effectiveness as components of the instruction of Studio Physics II (Introduction to Electricity and Magnetism). Two of the applets allow the student to explore two-dimensional electric and magnetic fields by drawing field lines and equipotentials, evaluating divergence and curl, and calculating loop and surface integrals for Maxwell's laws. Another applet illustrates Snell's law of refraction, and another is an optical bench with movable lenses and a movable object.

  19. Non-Native Speaker Interaction Management Strategies in a Network-Based Virtual Environment

    ERIC Educational Resources Information Center

    Peterson, Mark

    2008-01-01

    This article investigates the dyad-based communication of two groups of non-native speakers (NNSs) of English involved in real time interaction in a type of text-based computer-mediated communication (CMC) tool known as a MOO. The object of this semester long study was to examine the ways in which the subjects managed their L2 interaction during…

  20. Approaches to Interactive Video Anchors in Problem-Based Science Learning

    ERIC Educational Resources Information Center

    Kumar, David Devraj

    2010-01-01

    This paper is an invited adaptation of the IEEE Education Society Distinguished Lecture Approaches to Interactive Video Anchors in Problem-Based Science Learning. Interactive video anchors have a cognitive theory base, and they help to enlarge the context of learning with information-rich real-world situations. Carefully selected movie clips and…

  1. The Reality of Web-Based Interaction in an Egyptian Distance Education Course

    ERIC Educational Resources Information Center

    Sadik, Alaa

    2006-01-01

    This paper reports the results of a study conducted to evaluate the reality of interaction in a web-based distance education course. The learners were Egyptian first-grade secondary school students (15-16 years old) and the learning subject is mathematics. To investigate students' interactions via the Web, a Web-based learning environment was…

  2. Competing interactions for antimicrobial selectivity based on charge complementarity.

    PubMed

    von Deuster, Carola I E; Knecht, Volker

    2011-12-01

    Antimicrobial peptides (AMPs) are an evolutionary conserved component of the innate immune system and possible templates for the development of new antibiotics. An important property of antimicrobial peptides is their ability to discriminate bacterial from eucaryotic cells which is attributed to the difference in lipid composition of the outer leaflet of the plasma membrane between the two types of cells. Whereas eucaryotic cells usually expose zwitterionic lipids, procaryotic cells expose also anionic lipids which bind the cationic antimicrobial peptides electrostatically. An example is the antimicrobial peptide NK-2 which is highly cationic and favors binding to anionic membranes. In the present study, the difference in binding affinity of NK-2 for palmitoyl-oleoyl-phosphatidyl-glycerol (POPG) and palmitoyl-oleoyl-phosphatidyl-choline (POPC) is studied using molecular dynamics simulations in conjunction with a coarse grained model and thermodynamic integration, by computing the change in free energy and its components upon the transfer of NK-2 from POPC to POPG. The transfer is indeed found to be highly favorable. Interestingly, the favorable contribution from the electrostatic interaction between the peptide and the anionic lipids is overcompensated by an unfavorable contribution from the change in lipid-cation interactions due to the release of counterions from the lipids. The increase in entropy due to the release of the cations is compensated by other entropic components. The largest favorable contribution arises from the solvation of the counterions. Overall the interaction between NK-2 and POPG is not determined by a single driving force but a subtle balance of competing interactions.

  3. Model-based description of environment interaction for mobile robots

    NASA Astrophysics Data System (ADS)

    Borghi, Giuseppe; Ferrari, Carlo; Pagello, Enrico; Vianello, Marco

    1999-01-01

    We consider a mobile robot that attempts to accomplish a task by reaching a given goal, and interacts with its environment through a finite set of actions and observations. The interaction between robot and environment is modeled by Partially Observable Markov Decision Processes (POMDP). The robot takes its decisions in presence of uncertainty about the current state, by maximizing its reward gained during interactions with the environment. It is able to self-locate into the environment by collecting actions and perception histories during the navigation. To make the state estimation more reliable, we introduce an additional information in the model without adding new states and without discretizing the considered measures. Thus, we associate to the state transition probabilities also a continuous metric given through the mean and the variance of some significant sensor measurements suitable to be kept under continuous form, such as odometric measurements, showing that also such unreliable data can supply a great deal of information to the robot. The overall control system of the robot is structured as a two-levels layered architecture, where the low level implements several collision avoidance algorithms, while the upper level takes care of the navigation problem. In this paper, we concentrate on how to use POMDP models at the upper level.

  4. PPI-IRO: a two-stage method for protein-protein interaction extraction based on interaction relation ontology.

    PubMed

    Li, Chuan-Xi; Chen, Peng; Wang, Ru-Jing; Wang, Xiu-Jie; Su, Ya-Ru; Li, Jinyan

    2014-01-01

    Mining Protein-Protein Interactions (PPIs) from the fast-growing biomedical literature resources has been proven as an effective approach for the identification of biological regulatory networks. This paper presents a novel method based on the idea of Interaction Relation Ontology (IRO), which specifies and organises words of various proteins interaction relationships. Our method is a two-stage PPI extraction method. At first, IRO is applied in a binary classifier to determine whether sentences contain a relation or not. Then, IRO is taken to guide PPI extraction by building sentence dependency parse tree. Comprehensive and quantitative evaluations and detailed analyses are used to demonstrate the significant performance of IRO on relation sentences classification and PPI extraction. Our PPI extraction method yielded a recall of around 80% and 90% and an F1 of around 54% and 66% on corpora of AIMed and BioInfer, respectively, which are superior to most existing extraction methods. PMID:25757257

  5. PPI-IRO: a two-stage method for protein-protein interaction extraction based on interaction relation ontology.

    PubMed

    Li, Chuan-Xi; Chen, Peng; Wang, Ru-Jing; Wang, Xiu-Jie; Su, Ya-Ru; Li, Jinyan

    2014-01-01

    Mining Protein-Protein Interactions (PPIs) from the fast-growing biomedical literature resources has been proven as an effective approach for the identification of biological regulatory networks. This paper presents a novel method based on the idea of Interaction Relation Ontology (IRO), which specifies and organises words of various proteins interaction relationships. Our method is a two-stage PPI extraction method. At first, IRO is applied in a binary classifier to determine whether sentences contain a relation or not. Then, IRO is taken to guide PPI extraction by building sentence dependency parse tree. Comprehensive and quantitative evaluations and detailed analyses are used to demonstrate the significant performance of IRO on relation sentences classification and PPI extraction. Our PPI extraction method yielded a recall of around 80% and 90% and an F1 of around 54% and 66% on corpora of AIMed and BioInfer, respectively, which are superior to most existing extraction methods.

  6. Task-Based Learning: The Interaction between Tasks and Learners.

    ERIC Educational Resources Information Center

    Murphy, Jacky

    2003-01-01

    Investigates the relationship between tasks and learners in task-based learning. Findings suggest that manipulation of task characteristics and conditions may not achieve the intended pedagogic outcomes, and that new ways are needed to focus learners' attention of form without sacrificing the meaning-driven principles of task-based learning.…

  7. A web of possibilities: network-based discovery of protein interaction codes.

    PubMed

    Winter, Daniel L; Erce, Melissa A; Wilkins, Marc R

    2014-12-01

    Many proteins, including p53, the FoxO transcription factors, RNA polymerase II, pRb, and the chaperones, have extensive post-translational modifications (PTMs). Many of these modifications modulate protein-protein interactions, controlling interaction presence/absence and specificity. Here we propose the notion of the interaction code, a widespread means by which modifications are used to control interactions in the proteome. Minimal interaction codes are likely to exist on proteins that have two modifications and two or more interaction partners. By contrast, complex interaction codes are likely to be found on "date hub" proteins that have many interactions, many PTMs, or are targeted by many modifying and demodifying enzymes. Proteins with new interaction codes should be discoverable by examining protein interaction networks, annotated with PTMs and protein-modifying enzyme-substrate links. Multiple instances or combinations of phosphorylation, acetylation, methylation, O-GlcNAc, or ubiquitination will likely form interaction codes, especially when colocated on a protein's single interaction interface. A network-based example of code discovery is given, predicting the yeast protein Npl3p to have a methylation/phosphorylation-dependent interaction code.

  8. Child second language interaction in science-based tasks

    NASA Astrophysics Data System (ADS)

    McPhail, Cynthia Leigh

    While quasi-experimental in design, this study utilized qualitative data collection and analysis methods to examine the questions of whether students' speech act behavior and language use would vary by linguistic grouping. Second grade Puerto Rican native speakers of Spanish, and native English speakers completed sets of paired, hands-on, science activities. Children were paired in two linguistic groupings: heterogeneous (English native speaker/non-native speaker), and homogeneous (English non-native speaker/non-native speaker, or English native speaker/native speaker). Speech acts and use of target and native language in the two linguistic groupings were compared. Interviews with both the students and their teachers provided further understanding of the speech act behavior. Most prior research has dealt with university level adults learning English. Previous research that has dealt with children and second language interaction has often focused on teacher talk directed to the children, and no child/child interaction studies have attempted to control for variables such as linguistic grouping. Results indicated that linguistically heterogeneous groupings led to higher percentages of English use for non-native speakers. Homogeneous grouping led to higher percentages of native Spanish use. English native speakers' speech act behavior remained consistent in terms of dominance or passivity of behavior regardless of linguistic grouping, but there is the possibility that non-English speakers may behave in a slightly more passive manner when in heterogeneous grouping.

  9. Protein interaction network constructing based on text mining and reinforcement learning with application to prostate cancer.

    PubMed

    Zhu, Fei; Liu, Quan; Zhang, Xiaofang; Shen, Bairong

    2015-08-01

    Constructing interaction network from biomedical texts is a very important and interesting work. The authors take advantage of text mining and reinforcement learning approaches to establish protein interaction network. Considering the high computational efficiency of co-occurrence-based interaction extraction approaches and high precision of linguistic patterns approaches, the authors propose an interaction extracting algorithm where they utilise frequently used linguistic patterns to extract the interactions from texts and then find out interactions from extended unprocessed texts under the basic idea of co-occurrence approach, meanwhile they discount the interaction extracted from extended texts. They put forward a reinforcement learning-based algorithm to establish a protein interaction network, where nodes represent proteins and edges denote interactions. During the evolutionary process, a node selects another node and the attained reward determines which predicted interaction should be reinforced. The topology of the network is updated by the agent until an optimal network is formed. They used texts downloaded from PubMed to construct a prostate cancer protein interaction network by the proposed methods. The results show that their method brought out pretty good matching rate. Network topology analysis results also demonstrate that the curves of node degree distribution, node degree probability and probability distribution of constructed network accord with those of the scale-free network well. PMID:26243825

  10. Protein interaction network constructing based on text mining and reinforcement learning with application to prostate cancer.

    PubMed

    Zhu, Fei; Liu, Quan; Zhang, Xiaofang; Shen, Bairong

    2015-08-01

    Constructing interaction network from biomedical texts is a very important and interesting work. The authors take advantage of text mining and reinforcement learning approaches to establish protein interaction network. Considering the high computational efficiency of co-occurrence-based interaction extraction approaches and high precision of linguistic patterns approaches, the authors propose an interaction extracting algorithm where they utilise frequently used linguistic patterns to extract the interactions from texts and then find out interactions from extended unprocessed texts under the basic idea of co-occurrence approach, meanwhile they discount the interaction extracted from extended texts. They put forward a reinforcement learning-based algorithm to establish a protein interaction network, where nodes represent proteins and edges denote interactions. During the evolutionary process, a node selects another node and the attained reward determines which predicted interaction should be reinforced. The topology of the network is updated by the agent until an optimal network is formed. They used texts downloaded from PubMed to construct a prostate cancer protein interaction network by the proposed methods. The results show that their method brought out pretty good matching rate. Network topology analysis results also demonstrate that the curves of node degree distribution, node degree probability and probability distribution of constructed network accord with those of the scale-free network well.

  11. Counting statistics for genetic switches based on effective interaction approximation

    NASA Astrophysics Data System (ADS)

    Ohkubo, Jun

    2012-09-01

    Applicability of counting statistics for a system with an infinite number of states is investigated. The counting statistics has been studied a lot for a system with a finite number of states. While it is possible to use the scheme in order to count specific transitions in a system with an infinite number of states in principle, we have non-closed equations in general. A simple genetic switch can be described by a master equation with an infinite number of states, and we use the counting statistics in order to count the number of transitions from inactive to active states in the gene. To avoid having the non-closed equations, an effective interaction approximation is employed. As a result, it is shown that the switching problem can be treated as a simple two-state model approximately, which immediately indicates that the switching obeys non-Poisson statistics.

  12. MINDS: A microcomputer interactive data system for 8086-based controllers

    NASA Technical Reports Server (NTRS)

    Soeder, J. F.

    1985-01-01

    A microcomputer interactive data system (MINDS) software package for the 8086 family of microcomputers is described. To enhance program understandability and ease of code maintenance, the software is written in PL/M-86, Intel Corporation's high-level system implementation language. The MINDS software is intended to run in residence with real-time digital control software to provide displays of steady-state and transient data. In addition, the MINDS package provides classic monitor capabilities along with extended provisions for debugging an executing control system. The software uses the CP/M-86 operating system developed by Digital Research, Inc., to provide program load capabilities along with a uniform file structure for data and table storage. Finally, a library of input and output subroutines to be used with consoles equipped with PL/M-86 and assembly language is described.

  13. Human-Interaction Challenges in UAV-Based Autonomous Surveillance

    NASA Technical Reports Server (NTRS)

    Freed, Michael; Harris, Robert; Shafto, Michael G.

    2004-01-01

    Autonomous UAVs provide a platform for intelligent surveillance in application domains ranging from security and military operations to scientific information gathering and land management. Surveillance tasks are often long duration, requiring that any approach be adaptive to changes in the environment or user needs. We describe a decision- theoretic model of surveillance, appropriate for use on our autonomous helicopter, that provides a basis for optimizing the value of information returned by the UAV. From this approach arise a range of challenges in making this framework practical for use by human operators lacking specialized knowledge of autonomy and mathematics. This paper describes our platform and approach, then describes human-interaction challenges arising from this approach that we have identified and begun to address.

  14. Combining region-based and imprecise boundary-based cues for interactive medical image segmentation.

    PubMed

    Jones, Jonathan-Lee; Xie, Xianghua; Essa, Ehab

    2014-12-01

    In this paper, we present an approach combining both region selection and user point selection for user-assisted segmentation as either an enclosed object or an open curve, investigate the method of image segmentation in specific medical applications (user-assisted segmentation of the media-adventitia border in intravascular ultrasound images, and lumen border in optical coherence tomography images), and then demonstrate the method with generic images to show how it could be utilized in other types of medical image and is not limited to the applications described. The proposed method combines point-based soft constraint on object boundary and stroke-based regional constraint. The user points act as attraction points and are treated as soft constraints rather than hard constraints that the segmented boundary has to pass through. The user can also use strokes to specify region of interest. The probabilities of region of interest for each pixel are then calculated, and their discontinuity is used to indicate object boundary. The combinations of different types of user constraints and image features allow flexible and robust segmentation, which is formulated as an energy minimization problem on a multilayered graph and is solved using a shortest path search algorithm. We show that this combinatorial approach allows efficient and effective interactive segmentation, which can be used with both open and closed curves to segment a variety of images in different ways. The proposed method is demonstrated in the two medical applications, that is, intravascular ultrasound and optical coherence tomography images, where image artefacts such as acoustic shadow and calcification are commonplace and thus user guidance is desirable. We carried out both qualitative and quantitative analysis of the results for the medical data; comparing the proposed method against a number of interactive segmentation techniques. PMID:25377853

  15. Inquiry and groups: student interactions in cooperative inquiry-based science

    NASA Astrophysics Data System (ADS)

    Woods-McConney, Amanda; Wosnitza, Marold; Sturrock, Keryn L.

    2016-03-01

    Science education research has recommended cooperative inquiry based science in the primary science context for more than two decades but after more than 20 years, student achievement in science has not substantially improved. This study, through direct observation and analysis, investigated content-related student interactions in an authentic inquiry based primary science class setting. Thirty-one upper primary students were videotaped working in cooperative inquiry based science activities. Cooperative talk and negotiation of the science content was analysed to identify any high-level group interactions. The data show that while all groups have incidences of high-level content-related group interactions, the frequency and duration of these interactions were limited. No specific pattern of preceding events was identified and no episodes of high-level content-related group interactions were immediately preceded by the teacher's interactions with the groups. This in situ study demonstrated that even without any kind of scaffolding, specific skills in knowing how to implement cooperative inquiry based science, high-level content-related group interactions did occur very briefly. Support for teachers to develop their knowledge and skills in facilitating cooperative inquiry based science learning is warranted to ensure that high-level content-related group interactions and the associated conceptual learning are not left to chance in science classrooms.

  16. Atomic interaction mechanism for designing the interface of W/Zr-based bulk metallic glass composites

    PubMed Central

    Li, Z. K.; Fu, H. M.; Sha, P. F.; Zhu, Z. W.; Wang, A. M.; Li, H.; Zhang, H. W.; Zhang, H. F.; Hu, Z. Q.

    2015-01-01

    The interaction between active element Zr and W damages the W fibers and the interface and decreases the mechanical properties, especially the tensile strength of the W fibers reinforced Zr-based bulk metallic glass composites (BMGCs). From the viewpoint of atomic interaction, the W-Zr interaction can be restrained by adding minor elements that have stronger interaction with W into the alloy. The calculation about atomic interaction energy indicates that Ta and Nb preferred to segregate on the W substrate surface. Sessile drop experiment proves the prediction and corresponding in-situ coating appears at the interface. Besides, the atomic interaction mechanism was proven to be effective in many other systems by the sessile drop technique. Considering the interfacial morphology, Nb was added into the alloy to fabricate W/Zr-based BMGCs. As expected, the Nb addition effectively suppressed the W-Zr reaction and damage to W fibers. Both the compressive and tensile properties are improved obviously. PMID:25758910

  17. Dynamic Communication of Humanoid Robot with Multiple People Based on Interaction Distance

    NASA Astrophysics Data System (ADS)

    Tasaki, Tsuyoshi; Matsumoto, Shohei; Ohba, Hayato; Yamamoto, Shunichi; Toda, Mitsuhiko; Komatani, Kazunori; Ogata, Tetsuya; Okuno, Hiroshi G.

    Research on human-robot interaction is getting an increasing amount of attention. Since most research has dealt with communication between one robot and one person, quite few researchers have studied communication between a robot and multiple people. This paper presents a method that enables robots to communicate with multiple people using the ``selection priority of the interactive partner'' based on the concept of Proxemics. In this method, a robot changes active sensory-motor modalities based on the interaction distance between itself and a person. Our method was implemented into a humanoid robot, SIG2. SIG2 has various sensory-motor modalities to interact with humans. A demonstration of SIG2 showed that our method selected an appropriate interaction partner during interaction with multiple people.

  18. Interactive intraoperative localization using an infrared-based system.

    PubMed

    Zamorano, L J; Nolte, L; Kadi, A M; Jiang, Z

    1993-10-01

    We discuss new methods of localizing and treating brain lesions for both the conventional method of a base-ring fixed to the patient's skull (referred to as frame-based procedures) and the new method of frameless procedures (no base ring). Frame-based procedures are used for finding a precise instrument position during neurosurgical procedures, such as stereotactic biopsy of deep-seated lesions, placing electrodes for functional stereotaxis or catheters with radioactive seeds for brachytherapy, or even the placement of a stereotactic retractor or endoscope for removal or internal decompression of lesions. In such procedures, the intraoperative image localization of instruments becomes useful as it tracks instruments as they travel through the preplanned trajectory. Additional intraoperative digitization of surgical instruments, e.g., bipolar suction, biopsy forceps, microscope, ultrasound probe, etc, can be achieved during the stereotactic resection of eloquent areas or deep intracranial lesions by adding an infrared-based system. Frameless procedures broaden the range of surgical approaches, image guidance planning, and operative procedures, since no ring is attached to the patient's head which might interfere with the surgical approach, and offers logistic advantages in scheduling diagnostic studies. Frameless diagnostic studies employ anatomical markers and/or surface matching techniques for data registration in the computer software surgical preplanning program. This simplifies scheduling of the procedures since the image study does not need to be acquired the same day as surgery. Frameless diagnostic studies allow for the use of more than one type of imaging data for planning and optimization of surgical procedures, and greatly improve patient tolerance and comfort during these procedures and during surgery, as compared with frame-based procedures.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:7905601

  19. Literature Mining and Ontology based Analysis of Host-Brucella Gene-Gene Interaction Network.

    PubMed

    Karadeniz, İlknur; Hur, Junguk; He, Yongqun; Özgür, Arzucan

    2015-01-01

    Brucella is an intracellular bacterium that causes chronic brucellosis in humans and various mammals. The identification of host-Brucella interaction is crucial to understand host immunity against Brucella infection and Brucella pathogenesis against host immune responses. Most of the information about the inter-species interactions between host and Brucella genes is only available in the text of the scientific publications. Many text-mining systems for extracting gene and protein interactions have been proposed. However, only a few of them have been designed by considering the peculiarities of host-pathogen interactions. In this paper, we used a text mining approach for extracting host-Brucella gene-gene interactions from the abstracts of articles in PubMed. The gene-gene interactions here represent the interactions between genes and/or gene products (e.g., proteins). The SciMiner tool, originally designed for detecting mammalian gene/protein names in text, was extended to identify host and Brucella gene/protein names in the abstracts. Next, sentence-level and abstract-level co-occurrence based approaches, as well as sentence-level machine learning based methods, originally designed for extracting intra-species gene interactions, were utilized to extract the interactions among the identified host and Brucella genes. The extracted interactions were manually evaluated. A total of 46 host-Brucella gene interactions were identified and represented as an interaction network. Twenty four of these interactions were identified from sentence-level processing. Twenty two additional interactions were identified when abstract-level processing was performed. The Interaction Network Ontology (INO) was used to represent the identified interaction types at a hierarchical ontology structure. Ontological modeling of specific gene-gene interactions demonstrates that host-pathogen gene-gene interactions occur at experimental conditions which can be ontologically represented. Our

  20. Literature Mining and Ontology based Analysis of Host-Brucella Gene–Gene Interaction Network

    PubMed Central

    Karadeniz, İlknur; Hur, Junguk; He, Yongqun; Özgür, Arzucan

    2015-01-01

    Brucella is an intracellular bacterium that causes chronic brucellosis in humans and various mammals. The identification of host-Brucella interaction is crucial to understand host immunity against Brucella infection and Brucella pathogenesis against host immune responses. Most of the information about the inter-species interactions between host and Brucella genes is only available in the text of the scientific publications. Many text-mining systems for extracting gene and protein interactions have been proposed. However, only a few of them have been designed by considering the peculiarities of host–pathogen interactions. In this paper, we used a text mining approach for extracting host-Brucella gene–gene interactions from the abstracts of articles in PubMed. The gene–gene interactions here represent the interactions between genes and/or gene products (e.g., proteins). The SciMiner tool, originally designed for detecting mammalian gene/protein names in text, was extended to identify host and Brucella gene/protein names in the abstracts. Next, sentence-level and abstract-level co-occurrence based approaches, as well as sentence-level machine learning based methods, originally designed for extracting intra-species gene interactions, were utilized to extract the interactions among the identified host and Brucella genes. The extracted interactions were manually evaluated. A total of 46 host-Brucella gene interactions were identified and represented as an interaction network. Twenty four of these interactions were identified from sentence-level processing. Twenty two additional interactions were identified when abstract-level processing was performed. The Interaction Network Ontology (INO) was used to represent the identified interaction types at a hierarchical ontology structure. Ontological modeling of specific gene–gene interactions demonstrates that host–pathogen gene–gene interactions occur at experimental conditions which can be ontologically

  1. Ligand-target interaction-based weighting of substructures for virtual screening.

    PubMed

    Crisman, Thomas J; Sisay, Mihiret T; Bajorath, Jürgen

    2008-10-01

    A methodology is introduced to assign energy-based scores to two-dimensional (2D) structural features based on three-dimensional (3D) ligand-target interaction information and utilize interaction-annotated features in virtual screening. Database molecules containing such fragments are assigned cumulative scores that serve as a measure of similarity to active reference compounds. The Interaction Annotated Structural Features (IASF) method is applied to mine five high-throughput screening (HTS) data sets and often identifies more hits than conventional fragment-based similarity searching or ligand-protein docking. PMID:18821751

  2. Inquiry-Based Learning with or without Facilitator Interactions

    ERIC Educational Resources Information Center

    Weerasinghe, Thushani Alwis; Ramberg, Robert; Hewagamage, Kamalanath Priyantha

    2012-01-01

    This paper discusses findings of a study investigating how students, in four online courses, engaged in inquiry-based learning with and without support from a facilitator. The investigation was conducted by analyzing discussions of the online courses using the community of inquiry model. The results of the study imply that students in online…

  3. Classified Bibliography on Bibliographic Data Base Interaction, Compatibility and Standardization.

    ERIC Educational Resources Information Center

    Landau, H.B.

    This is the third in a series of eight reports of a research study for the National Agricultural Library (NAL) on the effective utilization of bibliographic data bases in machine-readable form. It consists of about 750 references collected to provide background data for the seven technical tasks of the study. The bibliography is set up to…

  4. EVA: An Interactive Web-Based Collaborative Learning Environment

    ERIC Educational Resources Information Center

    Sheremetov, Leonid; Arenas, Adolfo Guzman

    2002-01-01

    In this paper, a Web-based learning environment developed within the project called Virtual Learning Spaces (EVA, in Spanish) is described. The environment is composed of knowledge, collaboration, consulting and experimentation spaces as a collection of agents and conventional software components working over the knowledge domains. All user…

  5. Drug-DNA Interaction Studies of Acridone-Based Derivatives.

    PubMed

    Thimmaiah, Kuntebomanahalli; Ugarkar, Apoorva G; Martis, Elvis F; Shaikh, Mushtaque S; Coutinho, Evans C; Yergeri, Mayur C

    2015-01-01

    N10-alkylated 2-bromoacridones are a novel series of potent antitumor compounds. DNA binding studies of these compounds were carried out using spectrophotometric titrations, Circular dichroism (CD) measurements using Calf Thymus DNA (CT DNA). The binding constants were identified at a range of K=0.3 to 3.9×10(5) M(-1) and the percentage of hypochromism from the spectral titrations at 28-54%. This study has identified a compound 9 with the good binding affinity of K=0.39768×10(5) M(-1) with CT DNA. Molecular dynamics (MD) simulations have investigated the changes in structural and dynamic features of native DNA on binding to the active compound 9. All the synthesized compounds have increased the uptake of Vinblastine in MDR KBChR-8-5 cells to an extent of 1.25- to1.9-fold than standard modulator Verapamil of similar concentration. These findings allowed us to draw preliminary conclusions about the structural features of 2-bromoacridones and further chemical enhancement will improve the binding affinity of the acridone derivatives to CT-DNA for better drug-DNA interaction. The molecular modeling studies have shown mechanism of action and the binding modes of the acridones to DNA.

  6. A Fast Goal Recognition Technique Based on Interaction Estimates

    NASA Technical Reports Server (NTRS)

    E-Martin, Yolanda; R-Moreno, Maria D.; Smith, David E.

    2015-01-01

    Goal Recognition is the task of inferring an actor's goals given some or all of the actor's observed actions. There is considerable interest in Goal Recognition for use in intelligent personal assistants, smart environments, intelligent tutoring systems, and monitoring user's needs. In much of this work, the actor's observed actions are compared against a generated library of plans. Recent work by Ramirez and Geffner makes use of AI planning to determine how closely a sequence of observed actions matches plans for each possible goal. For each goal, this is done by comparing the cost of a plan for that goal with the cost of a plan for that goal that includes the observed actions. This approach yields useful rankings, but is impractical for real-time goal recognition in large domains because of the computational expense of constructing plans for each possible goal. In this paper, we introduce an approach that propagates cost and interaction information in a plan graph, and uses this information to estimate goal probabilities. We show that this approach is much faster, but still yields high quality results.

  7. Structural and functional bases of laser-microvessels interaction

    NASA Astrophysics Data System (ADS)

    Kozlov, Valentine I.; Terman, Oleg A.; Builin, Vitalij; Lebedeva, Natalia A.; Samoilov, Nickolai

    1993-07-01

    Structural and functional microcirculatory changes in tissues and organs (muscles, liver, derma, epinephros, brain cortex) under various dosages and powers of laser irradiation in the red (633 nm) and near infrared (890 nm) spectrum regions have been studied in experiments and clinic. In case of nonsensitized tissues the `photoactivation' range of power densities and doses of laser irradiation has been established. We have identified a short-term reaction of microvessels and a long-term reaction (adaptation). The former consists of intensification of microcirculation and metabolism rise in parenchymatous cells; the latter is connected with neoangiogenesis acceleration. The intensification of the blood microcirculation includes a dilation of microvessels of all orders, an amplification of arteriolar vasomotions and an opening of `reserved' capillaries. Data on the structural reconstruction of myocytes and endotheliocytes have shown that the high differential parenchymatous cells and its membrane structures are sensitive to low energy laser irradiation and, on the other hand, under low energy laser irradiation there is an activation of synthetic processes in the cells. Thus, during the laser-tissue interaction in such complex system as human organism the microcirculation plays the key role among the other systems.

  8. KBSIM: a system for interactive knowledge-based simulation.

    PubMed

    Hakman, M; Groth, T

    1991-01-01

    The KBSIM system integrates quantitative simulation with symbolic reasoning techniques, under the control of a user interface management system, using a relational database management system for data storage and interprocess communication. The system stores and processes knowledge from three distinct knowledge domains, viz. (i) knowledge about the processes of the system under investigation, expressed in terms of a Continuous System Simulation Language (CSSL); (ii) heuristic knowledge on how to reach the goals of the simulation experiment, expressed in terms of a Rule Description Language (RDL); and (iii) knowledge about the requirements of the intended users, expressed in terms of a User Interface Description Language (UIDL). The user works in an interactive environment controlling the simulation course with use of a mouse and a large screen containing a set of 'live' charts and forms. The user is assisted by an embedded 'expert system' module continuously watching both the system's behavior and the user's action, and producing alerts, alarms, comments and advice. The system was developed on a Hewlett-Packard 9000/350 workstation under the HP-Unix and HP-Windows operating systems, using the MIMER database management system, and Fortran, Prolog/Lisp and C as implementation languages. The KBSIM system has great potentials for supporting problem solving, design of working procedures and teaching related to management of highly dynamic systems. PMID:2060297

  9. Identifying specific protein-DNA interactions using SILAC-based quantitative proteomics.

    PubMed

    Spruijt, Cornelia G; Baymaz, H Irem; Vermeulen, Michiel

    2013-01-01

    A comprehensive identification of protein-DNA interactions that drive processes such as transcription and replication, both in prokaryotic and eukaryotic organisms, remains a major technical challenge. In this chapter, we present a SILAC-based DNA affinity purification method that can be used to identify specific interactions between proteins and functional DNA elements in an unbiased manner.

  10. Virtual Reality Simulations and Animations in a Web-Based Interactive Manufacturing Engineering Module

    ERIC Educational Resources Information Center

    Ong, S. K.; Mannan, M. A.

    2004-01-01

    This paper presents a web-based interactive teaching package that provides a comprehensive and conducive yet dynamic and interactive environment for a module on automated machine tools in the Manufacturing Division at the National University of Singapore. The use of Internet technologies in this teaching tool makes it possible to conjure…

  11. A Learner-Based Design Model for Interactive Multimedia Language Learning Packages.

    ERIC Educational Resources Information Center

    Watts, Noel

    1997-01-01

    Examines the design features of interactive multimedia packages for second language learning. Focuses on the possible components of a design model and highlights the implications for program design. Concludes that to realize the high potential for interactive language learning multimedia, designers must develop a more learner-based orientation.…

  12. Spin current source based on a quantum point contact with local spin-orbit interaction

    SciTech Connect

    Nowak, M. P.; Szafran, B.

    2013-11-11

    Proposal for construction of a source of spin-polarized current based on quantum point contact (QPC) with local spin-orbit interaction is presented. We show that spin-orbit interaction present within the narrowing acts like a spin filter. The spin polarization of the current is discussed as a function of the Fermi energy and the width of the QPC.

  13. Enhancing L2 Interaction in Avatar-Based Virtual Worlds: Student Teachers' Perceptions

    ERIC Educational Resources Information Center

    Tseng, Jun-Jie; Tsai, Ya-Hsun; Chao, Rih-Chang

    2013-01-01

    Three-dimensional (3-D) multi-user virtual environments (3-D MUVEs) have been used to provide language learners with realistic scenarios in which verbal and non-verbal interactions are simulated. However, little is known of the underlying factors that shape interaction in avatar-based virtual worlds. This study examined the perceptions of 38…

  14. Creative Multimodal Learning Environments and Blended Interaction for Problem-Based Activity in HCI Education

    ERIC Educational Resources Information Center

    Ioannou, Andri; Vasiliou, Christina; Zaphiris, Panayiotis; Arh, Tanja; Klobucar, Tomaž; Pipan, Matija

    2015-01-01

    This exploratory case study aims to examine how students benefit from a multimodal learning environment while they engage in collaborative problem-based activity in a Human Computer Interaction (HCI) university course. For 12 weeks, 30 students, in groups of 5-7 each, participated in weekly face-to-face meetings and online interactions.…

  15. Virtual-Reality-Based Social Interaction Training for Children with High-Functioning Autism

    ERIC Educational Resources Information Center

    Ke, Fengfeng; Im, Tami

    2013-01-01

    Employing the multiple-baseline across-subjects design, the authors examined the implementation and potential effect of a virtual-reality-based social interaction program on the interaction and communication performance of children with high functioning autism. The data were collected via behavior observation and analysis, questionnaires, and…

  16. Learning with Web-Based Interactive Objects: An Investigation into Student Perceptions of Effectiveness

    ERIC Educational Resources Information Center

    Salajan, Florin D.; Perschbacher, Susanne; Cash, Mindy; Talwar, Reena; El-Badrawy, Wafa; Mount, Greg J.

    2009-01-01

    In its efforts to continue the modernization of its curriculum, the Faculty of Dentistry at the University of Toronto has developed a series of web-based interactive learning applications. This article presents the production cycle of these new interactive learning objects and the preliminary study conducted to measure the students' perception of…

  17. Effects of Varying Interactive Strategies Provided by Computer-Based Tutorials for a Software Application Program.

    ERIC Educational Resources Information Center

    Tiemann, Philip W.; Markle, Susan M.

    1990-01-01

    Discussion of interaction in computer-based tutorials (CBT) focuses on a study that compared the performance of adult learners from training with three CBTs that varied the level of interactivity. The degrees of learner control, system control, and domain control are discussed, and the Lotus spreadsheet tutorials used are described. (24…

  18. Base sequence effects on interactions of aromatic mutagens with DNA

    SciTech Connect

    Geacintov, N.E.

    1991-09-19

    Within this period, we have completed our investigations on the thermodynamic characteristics and base sequence dependence of duplex formation of benzo(a)pyrene diol epoxide (BPDE) DNA adducts. Different 11-mer oligonucleotides containing covalently bound BPDE moieties at the exocyclic amino group of a single guanine base were utilized in these studies. Last year, in the three-year progress report, some preliminary data were discussed. A final account is provided here. New techniques were developed for assessing the preferred orientations of the enantiomers of (+)-BPDE and ({minus})-BPDE relative to the 5in {r arrow} 3in polarity of DNA strands; these investigations were prompted by predictions derived from our computer modeling studies. Significant progress was made towards synthesizing BPDE-adenine adducts in base sequence-specific oligonucleotides. We failed, on the other hand, to synthesize nitrosopyrene-oligonucleotide adducts because of intrinsic low reactivities of the nitrenium derivative ions with oligonucleotides. Nature was against us in this effort. Therefore, this particular goal to be abandoned. 14 refs., 8 figs., 4 tabs.

  19. A novel interacting multiple model based network intrusion detection scheme

    NASA Astrophysics Data System (ADS)

    Xin, Ruichi; Venkatasubramanian, Vijay; Leung, Henry

    2006-04-01

    In today's information age, information and network security are of primary importance to any organization. Network intrusion is a serious threat to security of computers and data networks. In internet protocol (IP) based network, intrusions originate in different kinds of packets/messages contained in the open system interconnection (OSI) layer 3 or higher layers. Network intrusion detection and prevention systems observe the layer 3 packets (or layer 4 to 7 messages) to screen for intrusions and security threats. Signature based methods use a pre-existing database that document intrusion patterns as perceived in the layer 3 to 7 protocol traffics and match the incoming traffic for potential intrusion attacks. Alternately, network traffic data can be modeled and any huge anomaly from the established traffic pattern can be detected as network intrusion. The latter method, also known as anomaly based detection is gaining popularity for its versatility in learning new patterns and discovering new attacks. It is apparent that for a reliable performance, an accurate model of the network data needs to be established. In this paper, we illustrate using collected data that network traffic is seldom stationary. We propose the use of multiple models to accurately represent the traffic data. The improvement in reliability of the proposed model is verified by measuring the detection and false alarm rates on several datasets.

  20. Development of StopAdvisor: A theory-based interactive internet-based smoking cessation intervention.

    PubMed

    Michie, Susan; Brown, Jamie; Geraghty, Adam W A; Miller, Sascha; Yardley, Lucy; Gardner, Benjamin; Shahab, Lion; McEwen, Andy; Stapleton, John A; West, Robert

    2012-09-01

    Reviews of internet-based behaviour-change interventions have shown that they can be effective but there is considerable heterogeneity and effect sizes are generally small. In order to advance science and technology in this area, it is essential to be able to build on principles and evidence of behaviour change in an incremental manner. We report the development of an interactive smoking cessation website, StopAdvisor, designed to be attractive and effective across the social spectrum. It was informed by a broad motivational theory (PRIME), empirical evidence, web-design expertise, and user-testing. The intervention was developed using an open-source web-development platform, 'LifeGuide', designed to facilitate optimisation and collaboration. We identified 19 theoretical propositions, 33 evidence- or theory-based behaviour change techniques, 26 web-design principles and nine principles from user-testing. These were synthesised to create the website, 'StopAdvisor' (see http://www.lifeguideonline.org/player/play/stopadvisordemonstration). The systematic and transparent application of theory, evidence, web-design expertise and user-testing within an open-source development platform can provide a basis for multi-phase optimisation contributing to an 'incremental technology' of behaviour change. PMID:24073123

  1. Thioarsenides: A case for long-range Lewis acid-base-directed van der Waals interactions

    SciTech Connect

    Gibbs, Gerald V.; Wallace, Adam F.; Downs, R. T.; Ross, Nancy L.; Cox, David F.; Rosso, Kevin M.

    2011-04-01

    Electron density distributions, bond paths, Laplacian and local energy density properties have been calculated for a number of As4Sn (n = 3,4,5) thioarsenide molecular crystals. On the basis of the distributions, the intramolecular As-S and As-As interactions classify as shared bonded interactions and the intermolecular As-S, As-As and S-S interactions classify as closed-shell van der Waals bonded interactions. The bulk of the intermolecular As-S bond paths link regions of locally concentrated electron density (Lewis base regions) with aligned regions of locally depleted electron density (Lewis acid regions) on adjacent molecules. The paths are comparable with intermolecular paths reported for several other molecular crystals that link aligned Lewis base and acid regions in a key-lock fashion, interactions that classified as long range Lewis acid-base directed van der Waals interactions. As the bulk of the intermolecular As-S bond paths (~70%) link Lewis acid-base regions on adjacent molecules, it appears that molecules adopt an arrangement that maximizes the number of As-S Lewis acid-base intermolecular bonded interactions. The maximization of the number of Lewis acid-base interactions appears to be connected with the close-packed array adopted by molecules: distorted cubic close-packed arrays are adopted for alacránite, pararealgar, uzonite, realgar and β-AsS and the distorted hexagonal close-packed arrays adopted by α- and β-dimorphite. A growth mechanism is proposed for thioarsenide molecular crystals from aqueous species that maximizes the number of long range Lewis acid-base vdW As-S bonded interactions with the resulting directed bond paths structuralizing the molecules as a molecular crystal.

  2. Customizable Computer-Based Interaction Analysis for Coaching and Self-Regulation in Synchronous CSCL Systems

    ERIC Educational Resources Information Center

    Lonchamp, Jacques

    2010-01-01

    Computer-based interaction analysis (IA) is an automatic process that aims at understanding a computer-mediated activity. In a CSCL system, computer-based IA can provide information directly to learners for self-assessment and regulation and to tutors for coaching support. This article proposes a customizable computer-based IA approach for a…

  3. An application of fragment interaction analysis based on local MP2

    NASA Astrophysics Data System (ADS)

    Ishikawa, Takeshi; Mochizuki, Yuji; Amari, Shinji; Nakano, Tatsuya; Tanaka, Shigenori; Tanaka, Kiyoshi

    2008-09-01

    We have developed a method named 'fragment interaction analysis based on local MP2' (abbreviated as FILM). This method enables us to decompose the interaction energy associated with dispersion interactions into contributions of localized occupied orbitals. In this study, the basis set dependence of the results derived from FILM was examined. The results suggested that the individual ratio of pair correlation energies of selected orbital pairs to the total dispersion interaction was almost independent of the basis set size. As an illustrative example, detailed analysis was performed on the human immunodeficiency virus type 1 protease complexed with lopinavir molecule.

  4. Development of Novel Random Network Theory-Based Approaches to Identify Network Interactions among Nitrifying Bacteria

    SciTech Connect

    Shi, Cindy

    2015-07-17

    The interactions among different microbial populations in a community could play more important roles in determining ecosystem functioning than species numbers and their abundances, but very little is known about such network interactions at a community level. The goal of this project is to develop novel framework approaches and associated software tools to characterize the network interactions in microbial communities based on high throughput, large scale high-throughput metagenomics data and apply these approaches to understand the impacts of environmental changes (e.g., climate change, contamination) on network interactions among different nitrifying populations and associated microbial communities.

  5. Counterpoise-corrected interaction energy analysis based on the fragment molecular orbital scheme

    NASA Astrophysics Data System (ADS)

    Okiyama, Yoshio; Fukuzawa, Kaori; Yamada, Haruka; Mochizuki, Yuji; Nakano, Tatsuya; Tanaka, Shigenori

    2011-06-01

    Basis set superposition error (BSSE) correction with counterpoise (CP) procedure under the environmental electrostatic potential is newly introduced to interfragment interaction energy (IFIE), which is important for interaction analysis in the fragment molecular orbital method. The CP correction for IFIE is applied to a stacked dimer of base pair and a protein-ligand complex of estrogen receptor and 17β-estradiol with scaled third-order Møller-Plesset perturbation theory. The BSSEs amount to about quarter of IFIE for hydrogen-bonding and electrostatic interactions and half or even more for dispersion interactions. Estimation of IFIE with the CP correction is therefore preferred for the quantitative discussion.

  6. Rule-based OPC and MPC interaction for implant layers

    NASA Astrophysics Data System (ADS)

    Fu, Nan; Ning, Guoxiang; Werle, Florian; Roling, Stefan; Hecker, Sandra; Ackmann, Paul; Buergel, Christian

    2015-10-01

    Implant layers must cover both logic and SRAM devices with good fidelity even if feature density and pitch differ very much. The coverage design rules of implant layers for SRAM and logic to active layer can vary. Lithography targeting could be problematic, since it may cause issues of either over exposure in logic area or under exposure in SRAM area. The rule-based (RB) re-targeting in the SRAM issue features is to compensate the under exposure in SRAM area. However, the global sizing in SRAM may introduce some bridge issues. Selective targeting and communicating with active layer is necessary. Another method is to achieve different mean-to-nominal (MTN) in some special areas during the reticle process. Such implant wafer issues can also be resolved during the lithography and mask optimized data preparing flow or named as lithography tolerance mask process correction (MPC). In this manuscript, this conventional issue will be demonstrated which is either over exposure in logic area or under exposure in bitcell area. The selective rule-based re-targeting concerning active layer will also be discussed, together with the improved wafer CDSEM data. The alternative method is to achieve different mean-to-nominal in different reticle areas which can be realized by lithography tolerance MPC during reticle process. The investigation of alternative methods will be presented, as well as the trade-off between them to improve the wafer uniformity and process margin of implant layers.

  7. MOSCHweb - a matrix-based interactive key to the genera of the Palaearctic Tachinidae (Insecta, Diptera).

    PubMed

    Cerretti, Pierfilippo; Tschorsnig, Hans-Peter; Lopresti, Massimo; Giovanni, Filippo Di

    2012-01-01

    We provide a general overview of features and technical specifications of an original interactive key web application for the identification of Palaearctic Tachinidae genera. The full list of terminal taxa included in the key, which is the most updated list of genera currently recorded for the Palaearctic Region, is given. We also briefly discuss the need for dealing with detailed and standardized taxa descriptions as a base to keep matrix-based interactive tools easily updated, by proposing a standardized protocol.

  8. Interactive object modelling based on piecewise planar surface patches☆

    PubMed Central

    Prankl, Johann; Zillich, Michael; Vincze, Markus

    2013-01-01

    Detecting elements such as planes in 3D is essential to describe objects for applications such as robotics and augmented reality. While plane estimation is well studied, table-top scenes exhibit a large number of planes and methods often lock onto a dominant plane or do not estimate 3D object structure but only homographies of individual planes. In this paper we introduce MDL to the problem of incrementally detecting multiple planar patches in a scene using tracked interest points in image sequences. Planar patches are reconstructed and stored in a keyframe-based graph structure. In case different motions occur, separate object hypotheses are modelled from currently visible patches and patches seen in previous frames. We evaluate our approach on a standard data set published by the Visual Geometry Group at the University of Oxford [24] and on our own data set containing table-top scenes. Results indicate that our approach significantly improves over the state-of-the-art algorithms. PMID:24511219

  9. CaseWorld™: Interactive, media rich, multidisciplinary case based learning.

    PubMed

    Gillham, David; Tucker, Katie; Parker, Steve; Wright, Victoria; Kargillis, Christina

    2015-11-01

    Nurse educators are challenged to keep up with highly specialised clinical practice, emerging research evidence, regulation requirements and rapidly changing information technology while teaching very large numbers of diverse students in a resource constrained environment. This complex setting provides the context for the CaseWorld project, which aims to simulate those aspects of clinical practice that can be represented by e-learning. This paper describes the development, implementation and evaluation of CaseWorld, a simulated learning environment that supports case based learning. CaseWorld provides nursing students with the opportunity to view unfolding authentic cases presented in a rich multimedia context. The first round of comprehensive summative evaluation of CaseWorld is discussed in the context of earlier formative evaluation, reference group input and strategies for integration of CaseWorld with subject content. This discussion highlights the unique approach taken in this project that involved simultaneous prototype development and large scale implementation, thereby necessitating strong emphasis on staff development, uptake and engagement. The lessons learned provide an interesting basis for further discussion of broad content sharing across disciplines and universities, and the contribution that local innovations can make to global education advancement.

  10. 4.1 Web-based interactive learning programmes.

    PubMed

    Nattestad, Anders; Attstrom, Rolf; Mattheos, Nikos; Ramseier, Christoph; Canegallo, Lorenza; Eaton, Ken; Feeney, Luke; Goffin, Guy; Markovska, Neda; Maixner, William; Persson, Rutger; Reynolds, Patricia; Ruotoistenmaki, Juha; Schittek, Martin; Spohn, Eric; Sudzina, Mike

    2002-01-01

    In the future, the training of competent dentists will need to take advantage of up-to-date digital technologies and learning practices. In order to accomplish this, the following goals should be considered: i) the design of 'customizable' web-based curriculum matrices that accommodate the training philosophies and resources of individual dental schools; ii) the development of digital instructional modules that can be incorporated or downloaded into specific parts of a curriculum; iii) the establishment of an e-consortium, which provides peer view and guidance in the design of teaching modules, and which is responsible for the storage, maintenance, and distribution of teaching modules within the consortium; iv) the development of central human and physical resources at each dental school to enable the seamless delivery of instructional modules in a variety of learning environments; and v) the assessment and provision of ICT training to students and faculty with respect to the use of computers and related digital technologies and educational software programmes. These goals should lead to the creation of a 'virtual dental school'. Within this project summative and formative evaluations should be performed during both the production and development of teaching material (e-learning material) and the learning process. During the learning process the following aspects should be measured and evaluated: i) students' behaviour; and ii) effectiveness, retention and the transfer of e-learned material into the clinical situation. To obtain evidence of the efficacy of e-learning material a certain amount of research has to be done in the near future. It is suggested that all parameters currently known have to be implemented during the development of a learning programme. Previous workers have evaluated the following elements with e-learning: i) planning, ii) programming and technical development, iii) learning behaviours, iv) learning outcomes of both the programme and the

  11. The Interactions between Imidazolium-Based Ionic Liquids and Stable Nitroxide Radical Species: A Theoretical Study.

    PubMed

    Zhang, Shaoze; Wang, Guimin; Lu, Yunxiang; Zhu, Weiliang; Peng, Changjun; Liu, Honglai

    2016-08-01

    In this work, the interactions between imidazolium-based ionic liquids and some stable radicals based on 2,2,6,6-tetramethylpiperidine-1-yloxyl (TEMPO) have been systematically investigated using density functional theory calculations at the level of M06-2x. Several different substitutions, such as hydrogen bonding formation substituent (OH) and ionic substituents (N(CH3)3(+) and OSO3(-)), are presented at the 4-position of the spin probe, which leads to additional hydrogen bonds or ionic interactions between these substitutions and ionic liquids. The interactions in the systems of the radicals containing ionic substitutions with ionic liquids are predicted much stronger than those in the systems of neutral radicals, resulting in a significant reduction of the mobility of ionic radicals in ionic liquids. To further understand the nature of these interactions, the natural bond order, atoms in molecules, noncovalent interaction index, electron density difference, energy decomposition analysis, and charge decomposition analysis schemes were employed. The additional ionic interactions between ionic radicals and counterions in ionic liquids are dominantly contributed from the electrostatic term, while the orbital interaction plays a major role in other interactions. The results reported herein are important to understand radical processes in ionic liquids and will be very useful in the design of task-specific ionic liquids to make the processes more efficient.

  12. The Interactions between Imidazolium-Based Ionic Liquids and Stable Nitroxide Radical Species: A Theoretical Study.

    PubMed

    Zhang, Shaoze; Wang, Guimin; Lu, Yunxiang; Zhu, Weiliang; Peng, Changjun; Liu, Honglai

    2016-08-01

    In this work, the interactions between imidazolium-based ionic liquids and some stable radicals based on 2,2,6,6-tetramethylpiperidine-1-yloxyl (TEMPO) have been systematically investigated using density functional theory calculations at the level of M06-2x. Several different substitutions, such as hydrogen bonding formation substituent (OH) and ionic substituents (N(CH3)3(+) and OSO3(-)), are presented at the 4-position of the spin probe, which leads to additional hydrogen bonds or ionic interactions between these substitutions and ionic liquids. The interactions in the systems of the radicals containing ionic substitutions with ionic liquids are predicted much stronger than those in the systems of neutral radicals, resulting in a significant reduction of the mobility of ionic radicals in ionic liquids. To further understand the nature of these interactions, the natural bond order, atoms in molecules, noncovalent interaction index, electron density difference, energy decomposition analysis, and charge decomposition analysis schemes were employed. The additional ionic interactions between ionic radicals and counterions in ionic liquids are dominantly contributed from the electrostatic term, while the orbital interaction plays a major role in other interactions. The results reported herein are important to understand radical processes in ionic liquids and will be very useful in the design of task-specific ionic liquids to make the processes more efficient. PMID:27428048

  13. Insights into the Fold Organization of TIM Barrel from Interaction Energy Based Structure Networks

    PubMed Central

    Vijayabaskar, M. S.; Vishveshwara, Saraswathi

    2012-01-01

    There are many well-known examples of proteins with low sequence similarity, adopting the same structural fold. This aspect of sequence-structure relationship has been extensively studied both experimentally and theoretically, however with limited success. Most of the studies consider remote homology or “sequence conservation” as the basis for their understanding. Recently “interaction energy” based network formalism (Protein Energy Networks (PENs)) was developed to understand the determinants of protein structures. In this paper we have used these PENs to investigate the common non-covalent interactions and their collective features which stabilize the TIM barrel fold. We have also developed a method of aligning PENs in order to understand the spatial conservation of interactions in the fold. We have identified key common interactions responsible for the conservation of the TIM fold, despite high sequence dissimilarity. For instance, the central beta barrel of the TIM fold is stabilized by long-range high energy electrostatic interactions and low-energy contiguous vdW interactions in certain families. The other interfaces like the helix-sheet or the helix-helix seem to be devoid of any high energy conserved interactions. Conserved interactions in the loop regions around the catalytic site of the TIM fold have also been identified, pointing out their significance in both structural and functional evolution. Based on these investigations, we have developed a novel network based phylogenetic analysis for remote homologues, which can perform better than sequence based phylogeny. Such an analysis is more meaningful from both structural and functional evolutionary perspective. We believe that the information obtained through the “interaction conservation” viewpoint and the subsequently developed method of structure network alignment, can shed new light in the fields of fold organization and de novo computational protein design. PMID:22615547

  14. Homology-Based Prediction of Potential Protein–Protein Interactions between Human Erythrocytes and Plasmodium falciparum

    PubMed Central

    Ramakrishnan, Gayatri; Srinivasan, Narayanaswamy; Padmapriya, Ponnan; Natarajan, Vasant

    2015-01-01

    Plasmodium falciparum, a causative agent of malaria, is a well-characterized obligate intracellular parasite known for its ability to remodel host cells, particularly erythrocytes, to successfully persist in the host environment. However, the current levels of understanding from the laboratory experiments on the host–parasite interactions and the strategies pursued by the parasite to remodel host erythrocytes are modest. Several computational means developed in the recent past to predict host–parasite/pathogen interactions have generated testable hypotheses on feasible protein–protein interactions. We demonstrate the utility of protein structure-based protocol in the recognition of potential interacting proteins across P. falciparum and host erythrocytes. In concert with the information on the expression and subcellular localization of host and parasite proteins, we have identified 208 biologically feasible interactions potentially brought about by 59 P. falciparum and 30 host erythrocyte proteins. For selected cases, we have evaluated the physicochemical viability of the predicted interactions in terms of surface complementarity, electrostatic complementarity, and interaction energies at protein interface regions. Such careful inspection of molecular and mechanistic details generates high confidence on the predicted host–parasite protein–protein interactions. The predicted host–parasite interactions generate many experimentally testable hypotheses that can contribute to the understanding of possible mechanisms undertaken by the parasite in host erythrocyte remodeling. Thus, the key protein players recognized in P. falciparum can be explored for their usefulness as targets for chemotherapeutic intervention. PMID:26740742

  15. Structure-based analysis of protein-RNA interactions using the program ENTANGLE.

    PubMed

    Allers, J; Shamoo, Y

    2001-08-01

    Until recently, drawing general conclusions about RNA recognition by proteins has been hindered by the paucity of high-resolution structures. We have analyzed 45 PDB entries of protein-RNA complexes to explore the underlying chemical principles governing both specific and non-sequence specific binding. To facilitate the analysis, we have constructed a database of interactions using ENTANGLE, a JAVA-based program that uses available structural models in their PDB format and searches for appropriate hydrogen bonding, stacking, electrostatic, hydrophobic and van der Waals interactions. The resulting database of interactions reveals correlations that suggest the basis for the discrimination of RNA from DNA and for base-specific recognition. The data illustrate both major and minor interaction strategies employed by families of proteins such as tRNA synthetases, ribosomal proteins, or RNA recognition motifs with their RNA targets. Perhaps most surprisingly, specific RNA recognition appears to be mediated largely by interactions of amide and carbonyl groups in the protein backbone with the edge of the RNA base. In cases where a base accepts a proton, the dominant amino acid donor is arginine, whereas in cases where the base donates a proton, the predominant acceptor is the backbone carbonyl group, not a side-chain group. This is in marked contrast to DNA-protein interactions, which are governed predominantly by amino acid side-chain interactions with functional groups that are presented in the accessible major groove. RNA recognition often proceeds through loops, bulges, kinks and other irregular structures that permit use of all the RNA functional groups and this is seen throughout the protein-RNA interaction database.

  16. Modeling of Tool-Tissue Interactions for Computer-Based Surgical Simulation: A Literature Review

    PubMed Central

    Misra, Sarthak; Ramesh, K. T.; Okamura, Allison M.

    2009-01-01

    Surgical simulators present a safe and potentially effective method for surgical training, and can also be used in robot-assisted surgery for pre- and intra-operative planning. Accurate modeling of the interaction between surgical instruments and organs has been recognized as a key requirement in the development of high-fidelity surgical simulators. Researchers have attempted to model tool-tissue interactions in a wide variety of ways, which can be broadly classified as (1) linear elasticity-based, (2) nonlinear (hyperelastic) elasticity-based finite element (FE) methods, and (3) other techniques that not based on FE methods or continuum mechanics. Realistic modeling of organ deformation requires populating the model with real tissue data (which are difficult to acquire in vivo) and simulating organ response in real time (which is computationally expensive). Further, it is challenging to account for connective tissue supporting the organ, friction, and topological changes resulting from tool-tissue interactions during invasive surgical procedures. Overcoming such obstacles will not only help us to model tool-tissue interactions in real time, but also enable realistic force feedback to the user during surgical simulation. This review paper classifies the existing research on tool-tissue interactions for surgical simulators specifically based on the modeling techniques employed and the kind of surgical operation being simulated, in order to inform and motivate future research on improved tool-tissue interaction models. PMID:20119508

  17. Development of an Interactive Computer-Based Learning Strategy to Assist in Teaching Water Quality Modelling

    ERIC Educational Resources Information Center

    Zigic, Sasha; Lemckert, Charles J.

    2007-01-01

    The following paper presents a computer-based learning strategy to assist in introducing and teaching water quality modelling to undergraduate civil engineering students. As part of the learning strategy, an interactive computer-based instructional (CBI) aid was specifically developed to assist students to set up, run and analyse the output from a…

  18. An Examination of the Characteristics of Student Interaction in Computer-Based Communication Assignments.

    ERIC Educational Resources Information Center

    Brown, Susan A.; Vician, Chelley

    Student interaction and computer-based communication tool appropriation patterns were examined in two different communication assignments requiring active use of computer-based communication tools. University students completed either: a set of communication assignments and activities with the instructor as sole audience; or a set of communication…

  19. A Multiple-Sessions Interactive Computer-Based Learning Tool for Ability Cultivation in Circuit Simulation

    ERIC Educational Resources Information Center

    Xu, Q.; Lai, L. L.; Tse, N. C. F.; Ichiyanagi, K.

    2011-01-01

    An interactive computer-based learning tool with multiple sessions is proposed in this paper, which teaches students to think and helps them recognize the merits and limitations of simulation tools so as to improve their practical abilities in electrical circuit simulation based on the case of a power converter with progressive problems. The…

  20. Influence of Structure and Interaction on Student Achievement and Satisfaction in Web-Based Distance Learning

    ERIC Educational Resources Information Center

    Lee, Hye-Jung; Rha, Ilju

    2009-01-01

    This study examines the influence of instructional design and management style on student achievement and satisfaction in a web-based distance learning environment. From the literature review, two major instructional design and management styles in web-based distance education were conceptualized as structure and interpersonal interaction. To…

  1. Collaborative Scaffolding in Online Task-Based Voice Interactions between Advanced Learners

    ERIC Educational Resources Information Center

    Kenning, Marie-Madeleine

    2010-01-01

    This paper reports some of the findings of a distinctive innovative use of audio-conferencing involving a population (campus-based advanced learners) and a type of application (task-based language learning) that have received little attention to date: the use of Wimba Voice Tools to provide additional opportunities for spoken interactions between…

  2. A Computer-Based Interactive Multimedia Program to Reduce HIV Transmission for Women with Intellectual Disability

    ERIC Educational Resources Information Center

    Wells, J.; Clark, K. D.; Sarno, K.

    2012-01-01

    Background: Despite recent recognition of the need for preventive sexual health materials for people with intellectual disability (ID), there have been remarkably few health-based interventions designed for people with mild to moderate ID. The purpose of this study was to evaluate the effects of a computer-based interactive multimedia (CBIM)…

  3. Young Foreign Language Learners' Interactions during Task-Based Paired Assessments

    ERIC Educational Resources Information Center

    Butler, Yuko Goto; Zeng, Wei

    2014-01-01

    Despite the popularity of task-based language teaching (TBLT) in foreign language (FL) education at elementary school, it remains unclear how young learners' FL abilities can best be evaluated with tasks. The present study seeks to understand developmental differences in interactions among elementary-school students during task-based language…

  4. Reciprocity in computer-human interaction: source-based, norm-based, and affect-based explanations.

    PubMed

    Lee, Seungcheol Austin; Liang, Yuhua Jake

    2015-04-01

    Individuals often apply social rules when they interact with computers, and this is known as the Computers Are Social Actors (CASA) effect. Following previous work, one approach to understand the mechanism responsible for CASA is to utilize computer agents and have the agents attempt to gain human compliance (e.g., completing a pattern recognition task). The current study focuses on three key factors frequently cited to influence traditional notions of compliance: evaluations toward the source (competence and warmth), normative influence (reciprocity), and affective influence (mood). Structural equation modeling assessed the effects of these factors on human compliance with computer request. The final model shows that norm-based influence (reciprocity) increased the likelihood of compliance, while evaluations toward the computer agent did not significantly influence compliance. PMID:25803145

  5. Reciprocity in computer-human interaction: source-based, norm-based, and affect-based explanations.

    PubMed

    Lee, Seungcheol Austin; Liang, Yuhua Jake

    2015-04-01

    Individuals often apply social rules when they interact with computers, and this is known as the Computers Are Social Actors (CASA) effect. Following previous work, one approach to understand the mechanism responsible for CASA is to utilize computer agents and have the agents attempt to gain human compliance (e.g., completing a pattern recognition task). The current study focuses on three key factors frequently cited to influence traditional notions of compliance: evaluations toward the source (competence and warmth), normative influence (reciprocity), and affective influence (mood). Structural equation modeling assessed the effects of these factors on human compliance with computer request. The final model shows that norm-based influence (reciprocity) increased the likelihood of compliance, while evaluations toward the computer agent did not significantly influence compliance.

  6. A Framework for Spatial Interaction Analysis Based on Large-Scale Mobile Phone Data

    PubMed Central

    Li, Weifeng; Cheng, Xiaoyun; Guo, Gaohua

    2014-01-01

    The overall understanding of spatial interaction and the exact knowledge of its dynamic evolution are required in the urban planning and transportation planning. This study aimed to analyze the spatial interaction based on the large-scale mobile phone data. The newly arisen mass dataset required a new methodology which was compatible with its peculiar characteristics. A three-stage framework was proposed in this paper, including data preprocessing, critical activity identification, and spatial interaction measurement. The proposed framework introduced the frequent pattern mining and measured the spatial interaction by the obtained association. A case study of three communities in Shanghai was carried out as verification of proposed method and demonstration of its practical application. The spatial interaction patterns and the representative features proved the rationality of the proposed framework. PMID:25435865

  7. Characterization of the interactions between polymethacrylate-based aqueous polymeric dispersions and aluminum lakes.

    PubMed

    Nyamweya, N; Mehta, K A; Hoag, S W

    2001-12-01

    Instability in film coating formulations can arise from interactions between aluminum lake pigments and aqueous polymeric dispersions. The purpose of this study was to characterize the interactions between three polymethacrylate-based aqueous polymeric dispersions (Eudragit RS 30 D, Eudragit L 30 D-55, and Eudragit NE 30 D) and aluminum lakes. Particle size measurements, pH stability profiles, zeta potential measurements, and microscopy were used to study mixed dispersions of the polymeric latices and the lakes. Interactions leading to dispersion instability were related to the surface charge of the components in the formulation. Interactions between the ionic polymers and the lakes arose from instability of the lakes outside a certain pH range resulting in the release of electrolytes, which led to aggregation of the polymeric particles. Interactions between the nonionic polymer and the lakes were related to the polymer modifying the surface charge of the lakes, resulting in aggregation of the pigment particles.

  8. A framework for spatial interaction analysis based on large-scale mobile phone data.

    PubMed

    Li, Weifeng; Cheng, Xiaoyun; Duan, Zhengyu; Yang, Dongyuan; Guo, Gaohua

    2014-01-01

    The overall understanding of spatial interaction and the exact knowledge of its dynamic evolution are required in the urban planning and transportation planning. This study aimed to analyze the spatial interaction based on the large-scale mobile phone data. The newly arisen mass dataset required a new methodology which was compatible with its peculiar characteristics. A three-stage framework was proposed in this paper, including data preprocessing, critical activity identification, and spatial interaction measurement. The proposed framework introduced the frequent pattern mining and measured the spatial interaction by the obtained association. A case study of three communities in Shanghai was carried out as verification of proposed method and demonstration of its practical application. The spatial interaction patterns and the representative features proved the rationality of the proposed framework.

  9. MAS C-Terminal Tail Interacting Proteins Identified by Mass Spectrometry- Based Proteomic Approach

    PubMed Central

    Tirupula, Kalyan C.; Zhang, Dongmei; Osbourne, Appledene; Chatterjee, Arunachal; Desnoyer, Russ; Willard, Belinda; Karnik, Sadashiva S.

    2015-01-01

    Propagation of signals from G protein-coupled receptors (GPCRs) in cells is primarily mediated by protein-protein interactions. MAS is a GPCR that was initially discovered as an oncogene and is now known to play an important role in cardiovascular physiology. Current literature suggests that MAS interacts with common heterotrimeric G-proteins, but MAS interaction with proteins which might mediate G protein-independent or atypical signaling is unknown. In this study we hypothesized that MAS C-terminal tail (Ct) is a major determinant of receptor-scaffold protein interactions mediating MAS signaling. Mass-spectrometry based proteomic analysis was used to comprehensively identify the proteins that interact with MAS Ct comprising the PDZ-binding motif (PDZ-BM). We identified both PDZ and non-PDZ proteins from human embryonic kidney cell line, mouse atrial cardiomyocyte cell line and human heart tissue to interact specifically with MAS Ct. For the first time our study provides a panel of PDZ and other proteins that potentially interact with MAS with high significance. A ‘cardiac-specific finger print’ of MAS interacting PDZ proteins was identified which includes DLG1, MAGI1 and SNTA. Cell based experiments with wild-type and mutant MAS lacking the PDZ-BM validated MAS interaction with PDZ proteins DLG1 and TJP2. Bioinformatics analysis suggested well-known multi-protein scaffold complexes involved in nitric oxide signaling (NOS), cell-cell signaling of neuromuscular junctions, synapses and epithelial cells. Majority of these protein hits were predicted to be part of disease categories comprising cancers and malignant tumors. We propose a ‘MAS-signalosome’ model to stimulate further research in understanding the molecular mechanism of MAS function. Identifying hierarchy of interactions of ‘signalosome’ components with MAS will be a necessary step in future to fully understand the physiological and pathological functions of this enigmatic receptor. PMID

  10. Proteome-wide prediction of self-interacting proteins based on multiple properties.

    PubMed

    Liu, Zhongyang; Guo, Feifei; Zhang, Jiyang; Wang, Jian; Lu, Liang; Li, Dong; He, Fuchu

    2013-06-01

    Self-interacting proteins, whose two or more copies can interact with each other, play important roles in cellular functions and the evolution of protein interaction networks (PINs). Knowing whether a protein can self-interact can contribute to and sometimes is crucial for the elucidation of its functions. Previous related research has mainly focused on the structures and functions of specific self-interacting proteins, whereas knowledge on their overall properties is limited. Meanwhile, the two current most common high throughput protein interaction assays have limited ability to detect self-interactions because of biological artifacts and design limitations, whereas the bioinformatic prediction method of self-interacting proteins is lacking. This study aims to systematically study and predict self-interacting proteins from an overall perspective. We find that compared with other proteins the self-interacting proteins in the structural aspect contain more domains; in the evolutionary aspect they tend to be conserved and ancient; in the functional aspect they are significantly enriched with enzyme genes, housekeeping genes, and drug targets, and in the topological aspect tend to occupy important positions in PINs. Furthermore, based on these features, after feature selection, we use logistic regression to integrate six representative features, including Gene Ontology term, domain, paralogous interactor, enzyme, model organism self-interacting protein, and betweenness centrality in the PIN, to develop a proteome-wide prediction model of self-interacting proteins. Using 5-fold cross-validation and an independent test, this model shows good performance. Finally, the prediction model is developed into a user-friendly web service SLIPPER (SeLf-Interacting Protein PrEdictoR). Users may submit a list of proteins, and then SLIPPER will return the probability_scores measuring their possibility to be self-interacting proteins and various related annotation information. This

  11. Proteome-wide prediction of self-interacting proteins based on multiple properties.

    PubMed

    Liu, Zhongyang; Guo, Feifei; Zhang, Jiyang; Wang, Jian; Lu, Liang; Li, Dong; He, Fuchu

    2013-06-01

    Self-interacting proteins, whose two or more copies can interact with each other, play important roles in cellular functions and the evolution of protein interaction networks (PINs). Knowing whether a protein can self-interact can contribute to and sometimes is crucial for the elucidation of its functions. Previous related research has mainly focused on the structures and functions of specific self-interacting proteins, whereas knowledge on their overall properties is limited. Meanwhile, the two current most common high throughput protein interaction assays have limited ability to detect self-interactions because of biological artifacts and design limitations, whereas the bioinformatic prediction method of self-interacting proteins is lacking. This study aims to systematically study and predict self-interacting proteins from an overall perspective. We find that compared with other proteins the self-interacting proteins in the structural aspect contain more domains; in the evolutionary aspect they tend to be conserved and ancient; in the functional aspect they are significantly enriched with enzyme genes, housekeeping genes, and drug targets, and in the topological aspect tend to occupy important positions in PINs. Furthermore, based on these features, after feature selection, we use logistic regression to integrate six representative features, including Gene Ontology term, domain, paralogous interactor, enzyme, model organism self-interacting protein, and betweenness centrality in the PIN, to develop a proteome-wide prediction model of self-interacting proteins. Using 5-fold cross-validation and an independent test, this model shows good performance. Finally, the prediction model is developed into a user-friendly web service SLIPPER (SeLf-Interacting Protein PrEdictoR). Users may submit a list of proteins, and then SLIPPER will return the probability_scores measuring their possibility to be self-interacting proteins and various related annotation information. This

  12. Blind test of density-functional-based methods on intermolecular interaction energies

    NASA Astrophysics Data System (ADS)

    Taylor, DeCarlos E.; Ángyán, János G.; Galli, Giulia; Zhang, Cui; Gygi, Francois; Hirao, Kimihiko; Song, Jong Won; Rahul, Kar; Anatole von Lilienfeld, O.; Podeszwa, Rafał; Bulik, Ireneusz W.; Henderson, Thomas M.; Scuseria, Gustavo E.; Toulouse, Julien; Peverati, Roberto; Truhlar, Donald G.; Szalewicz, Krzysztof

    2016-09-01

    In the past decade, a number of approaches have been developed to fix the failure of (semi)local density-functional theory (DFT) in describing intermolecular interactions. The performance of several such approaches with respect to highly accurate benchmarks is compared here on a set of separation-dependent interaction energies for ten dimers. Since the benchmarks were unknown before the DFT-based results were collected, this comparison constitutes a blind test of these methods.

  13. Photoswitchable Adsorption in Metal-Organic Frameworks Based on Polar Guest-Host Interactions.

    PubMed

    Wang, Zhengbang; Grosjean, Sylvain; Bräse, Stefan; Heinke, Lars

    2015-12-21

    Reversible remote-controlled switching of the properties of nanoporous metal-organic frameworks (MOFs) is enabled by incorporating photoswitchable azobenzene. The interaction of the host material with different guest molecules, which is crucial for all applications, is precisely studied using thin MOF films of the type Cu2 (BDC)2 (AzoBipyB). A molecule-specific effect of the photoswitching, based on dipole-dipole interactions, is found.

  14. Genetics-based interactions among plants, pathogens, and herbivores define arthropod community structure.

    PubMed

    Busby, Posy E; Lamit, Louis J; Keith, Arthur R; Newcombe, George; Gehring, Catherine A; Whitham, Thomas G; Dirzo, Rodolfo

    2015-07-01

    Plant resistance to pathogens or insect herbivores is common, but its potential for indirectly influencing plant-associated communities is poorly known. Here, we test whether pathogens' indirect effects on arthropod communities and herbivory depend on plant resistance to pathogens and/or herbivores, and address the overarching interacting foundation species hypothesis that genetics-based interactions among a few highly interactive species can structure a much larger community. In a manipulative field experiment using replicated genotypes of two Populus species and their interspecific hybrids, we found that genetic variation in plant resistance to both pathogens and insect herbivores modulated the strength of pathogens' indirect effects on arthropod communities and insect herbivory. First, due in part to the pathogens' differential impacts on leaf biomass among the two Populus species and the hybrids, the pathogen most strongly impacted arthropod community composition, richness, and abundance on the pathogen-susceptible tree species. Second, we found similar patterns comparing pathogen-susceptible and pathogen-resistant genotypes within species. Third, within a plant species, pathogens caused a fivefold greater reduction in herbivory on insect-herbivore-susceptible plant genotypes than on herbivore-resistant genotypes, demonstrating that the pathogen-herbivore interaction is genotype dependent. We conclude that interactions among plants, pathogens, and herbivores can structure multitrophic communities, supporting the interacting foundation species hypothesis. Because these interactions are genetically based, evolutionary changes in genetic resistance could result in ecological changes in associated communities, which may in turn feed back to affect plant fitness.

  15. The visible touch: in planta visualization of protein-protein interactions by fluorophore-based methods

    PubMed Central

    Bhat, Riyaz A; Lahaye, Thomas; Panstruga, Ralph

    2006-01-01

    Non-invasive fluorophore-based protein interaction assays like fluorescence resonance energy transfer (FRET) and bimolecular fluorescence complementation (BiFC, also referred to as "split YFP") have been proven invaluable tools to study protein-protein interactions in living cells. Both methods are now frequently used in the plant sciences and are likely to develop into standard techniques for the identification, verification and in-depth analysis of polypeptide interactions. In this review, we address the individual strengths and weaknesses of both approaches and provide an outlook about new directions and possible future developments for both techniques. PMID:16800872

  16. Web-based interactive visualization in a Grid-enabled neuroimaging application using HTML5.

    PubMed

    Siewert, René; Specovius, Svenja; Wu, Jie; Krefting, Dagmar

    2012-01-01

    Interactive visualization and correction of intermediate results are required in many medical image analysis pipelines. To allow certain interaction in the remote execution of compute- and data-intensive applications, new features of HTML5 are used. They allow for transparent integration of user interaction into Grid- or Cloud-enabled scientific workflows. Both 2D and 3D visualization and data manipulation can be performed through a scientific gateway without the need to install specific software or web browser plugins. The possibilities of web-based visualization are presented along the FreeSurfer-pipeline, a popular compute- and data-intensive software tool for quantitative neuroimaging. PMID:22942008

  17. Fluid, solid and fluid-structure interaction simulations on patient-based abdominal aortic aneurysm models.

    PubMed

    Kelly, Sinead; O'Rourke, Malachy

    2012-04-01

    This article describes the use of fluid, solid and fluid-structure interaction simulations on three patient-based abdominal aortic aneurysm geometries. All simulations were carried out using OpenFOAM, which uses the finite volume method to solve both fluid and solid equations. Initially a fluid-only simulation was carried out on a single patient-based geometry and results from this simulation were compared with experimental results. There was good qualitative and quantitative agreement between the experimental and numerical results, suggesting that OpenFOAM is capable of predicting the main features of unsteady flow through a complex patient-based abdominal aortic aneurysm geometry. The intraluminal thrombus and arterial wall were then included, and solid stress and fluid-structure interaction simulations were performed on this, and two other patient-based abdominal aortic aneurysm geometries. It was found that the solid stress simulations resulted in an under-estimation of the maximum stress by up to 5.9% when compared with the fluid-structure interaction simulations. In the fluid-structure interaction simulations, flow induced pressure within the aneurysm was found to be up to 4.8% higher than the value of peak systolic pressure imposed in the solid stress simulations, which is likely to be the cause of the variation in the stress results. In comparing the results from the initial fluid-only simulation with results from the fluid-structure interaction simulation on the same patient, it was found that wall shear stress values varied by up to 35% between the two simulation methods. It was concluded that solid stress simulations are adequate to predict the maximum stress in an aneurysm wall, while fluid-structure interaction simulations should be performed if accurate prediction of the fluid wall shear stress is necessary. Therefore, the decision to perform fluid-structure interaction simulations should be based on the particular variables of interest in a given

  18. A Single Kernel-Based Approach to Extract Drug-Drug Interactions from Biomedical Literature

    PubMed Central

    Zhang, Yijia; Lin, Hongfei; Yang, Zhihao; Wang, Jian; Li, Yanpeng

    2012-01-01

    When one drug influences the level or activity of another drug this is known as a drug-drug interaction (DDI). Knowledge of such interactions is crucial for patient safety. However, the volume and content of published biomedical literature on drug interactions is expanding rapidly, making it increasingly difficult for DDIs database curators to detect and collate DDIs information manually. In this paper, we propose a single kernel-based approach to extract DDIs from biomedical literature. This novel kernel-based approach can effectively make full use of syntactic structural information of the dependency graph. In particular, our approach can efficiently represent both single subgraph topological information and the relation of two subgraphs in the dependency graph. Experimental evaluations showed that our single kernel-based approach can achieve state-of-the-art performance on the publicly available DDI corpus without exploiting multiple kernels or additional domain resources. PMID:23133662

  19. Base dependent DNA-carbon nanotube interactions: activation enthalpies and assembly-disassembly control

    PubMed Central

    Albertorio, Fernando; Hughes, Mary E.; Golovchenko, Jene A.; Branton, Daniel

    2009-01-01

    We quantify the base dependent interactions between single stranded DNA and single walled carbon nanotubes (SWNT) in solution. DNA/SWNT hybrids hold the promise of applications ranging from nanoscale electronics and assembly of nanotube based materials, to drug delivery and DNA sequencing. These applications require control over the hybrid assembly and disassembly. Our analytical assay reveals the order of nucleobase binding strengths with SWNTs as G > C > A > T. Furthermore, time dependent fixed temperature experiments that probe the kinetics of the dissociation process provide values for the equilibrium constants and dissociation enthalpies that underlie the microscopic interactions. Quantifying the base dependency of hybrid stability shows how insight into the energetics of the component interactions facilitates control over hybrid assembly and disassembly. PMID:19724110

  20. Poultry production: a model for developing interactive Internet-based distance education.

    PubMed

    Emmert, J L; Shortridge, A M; Sexton, S L

    2003-05-01

    Over the last several decades, many poultry science programs have merged with other departments, but the poultry industry has undergone tremendous expansion worldwide, leading to a growing instructional void with regard to poultry production information. The objective of this project was to address the demand for information by developing two Web-based poultry production courses that cover management of broilers, turkeys, breeders, and layers. The Internet was chosen as the platform because it is asynchronous and may be accessed from any connected site around the world. To be effective, web-based courseware must be theoretically grounded and interactive, but university-level web-based distance education courses often fail to meet these standards. During courseware development, the impact of instructional techniques and technologies on interactivity and learning outcomes was explored. A content expert, an instructional designer, and a graphic artist carefully reviewed a variety of instructional techniques to increase interactivity. Concept mapping was chosen because it has been shown to be a superior learning tool for enhancing the exchange of ideas and knowledge between instructors, students, and content. A unique instructional interface was established that includes threaded e-mail discussion, thought questions, animation, hypertext, rollover interactions, video clips, and concept mapping exercises. Results indicate that the integration of concept mapping into web-based learning environments successfully increased interactivity and learning outcomes. PMID:12762393

  1. Gene set enrichment and topological analyses based on interaction networks in pediatric acute lymphoblastic leukemia

    PubMed Central

    SUI, SHUXIANG; WANG, XIN; ZHENG, HUA; GUO, HUA; CHEN, TONG; JI, DONG-MEI

    2015-01-01

    Pediatric acute lymphoblastic leukemia (ALL) accounts for over one-quarter of all pediatric cancers. Interacting genes and proteins within the larger human gene interaction network of the human genome are rarely investigated by studies investigating pediatric ALL. In the present study, interaction networks were constructed using the empirical Bayesian approach and the Search Tool for the Retrieval of Interacting Genes/proteins database, based on the differentially-expressed (DE) genes in pediatric ALL, which were identified using the RankProd package. Enrichment analysis of the interaction network was performed using the network-based methods EnrichNet and PathExpand, which were compared with the traditional expression analysis systematic explored (EASE) method. In total, 398 DE genes were identified in pediatric ALL, and LIF was the most significantly DE gene. The co-expression network consisted of 272 nodes, which indicated genes and proteins, and 602 edges, which indicated the number of interactions adjacent to the node. Comparison between EASE and PathExpand revealed that PathExpand detected more pathways or processes that were closely associated with pediatric ALL compared with the EASE method. There were 294 nodes and 1,588 edges in the protein-protein interaction network, with the processes of hematopoietic cell lineage and porphyrin metabolism demonstrating a close association with pediatric ALL. Network enrichment analysis based on the PathExpand algorithm was revealed to be more powerful for the analysis of interaction networks in pediatric ALL compared with the EASE method. LIF and MLLT11 were identified as the most significantly DE genes in pediatric ALL. The process of hematopoietic cell lineage was the pathway most significantly associated with pediatric ALL. PMID:26788135

  2. Specular Andreev reflection in graphene-based superconducting junction with substate-induced spin orbit interaction

    NASA Astrophysics Data System (ADS)

    Bai, Chunxu; Yang, Yanling

    2016-08-01

    Based on the Dirac-Bogoliubov-de Gennes equation, the chirality-resolved transport properties through a ballistic graphene-based superconducting heterojunction with both the Rashba and the Dresselhaus spin orbit interaction have been investigated. Our results show that, in contrast to the retro-Andreev reflection suppressed by the spin orbit interaction (SOI), the specular Andreev reflection (SAR) can be enhanced largely by the SOI. Moreover, the Fabry-Perot interferences in the barrier region lead to the oscillating feature of the tunneling conductance. It is anticipated to apply the qualitative different results to diagnose the SAR in single layer graphene in the presence of both kinds of the SOI.

  3. A hybrid configuration interaction treatment based on seniority number and excitation schemes

    SciTech Connect

    Alcoba, Diego R.; Capuzzi, Pablo; Torre, Alicia; Lain, Luis; Oña, Ofelia B.; Van Raemdonck, Mario; Bultinck, Patrick; Van Neck, Dimitri

    2014-12-28

    We present a configuration interaction method in which the Hamiltonian of an N-electron system is projected on Slater determinants selected according to the seniority-number criterion along with the traditional excitation-based procedure. This proposed method is especially useful to describe systems which exhibit dynamic (weak) correlation at determined geometric arrangements (where the excitation-based procedure is more suitable) but show static (strong) correlation at other arrangements (where the seniority-number technique is preferred). The hybrid method amends the shortcomings of both individual determinant selection procedures, yielding correct shapes of potential energy curves with results closer to those provided by the full configuration interaction method.

  4. Theoretical Studies on the Intermolecular Interactions of Potentially Primordial Base-Pair Analogues

    SciTech Connect

    Leszczynski, Jerzy; Sponer, Judit; Sponer, Jiri; Sumpter, Bobby G; Fuentes-Cabrera, Miguel A; Vazquez-Mayagoitia, Alvaro

    2010-01-01

    Recent experimental studies on the Watson Crick type base pairing of triazine and aminopyrimidine derivatives suggest that acid/base properties of the constituent bases might be related to the duplex stabilities measured in solution. Herein we use high-level quantum chemical calculations and molecular dynamics simulations to evaluate the base pairing and stacking interactions of seven selected base pairs, which are common in that they are stabilized by two NH O hydrogen bonds separated by one NH N hydrogen bond. We show that neither the base pairing nor the base stacking interaction energies correlate with the reported pKa data of the bases and the melting points of the duplexes. This suggests that the experimentally observed correlation between the melting point data of the duplexes and the pKa values of the constituent bases is not rooted in the intrinsic base pairing and stacking properties. The physical chemistry origin of the observed experimental correlation thus remains unexplained and requires further investigations. In addition, since our calculations are carried out with extrapolation to the complete basis set of atomic orbitals and with inclusion of higher electron correlation effects, they provide reference data for stacking and base pairing energies of non-natural bases.

  5. Sequence-based prediction of protein-protein interaction sites with L1-logreg classifier.

    PubMed

    Dhole, Kaustubh; Singh, Gurdeep; Pai, Priyadarshini P; Mondal, Sukanta

    2014-05-01

    Protein-protein interactions are of central importance for virtually every process in a living cell. Information about the interaction sites in proteins improves our understanding of disease mechanisms and can provide the basis for new therapeutic approaches. Since a multitude of unique residue-residue contacts facilitate the interactions, protein-protein interaction sites prediction has become one of the most important and challenging problems of computational biology. Although much progress in this field has been reported, this problem is yet to be satisfactorily solved. Here, a novel method (LORIS: L1-regularized LOgistic Regression based protein-protein Interaction Sites predictor) is proposed, that identifies interaction residues, using sequence features and is implemented via the L1-logreg classifier. Results show that LORIS is not only quite effective, but also, performs better than existing state-of-the art methods. LORIS, available as standalone package, can be useful for facilitating drug-design and targeted mutation related studies, which require a deeper knowledge of protein interactions sites. PMID:24486250

  6. Improving vision-based motor rehabilitation interactive systems for users with disabilities using mirror feedback.

    PubMed

    Jaume-i-Capó, Antoni; Martínez-Bueso, Pau; Moyà-Alcover, Biel; Varona, Javier

    2014-01-01

    Observation is recommended in motor rehabilitation. For this reason, the aim of this study was to experimentally test the feasibility and benefit of including mirror feedback in vision-based rehabilitation systems: we projected the user on the screen. We conducted a user study by using a previously evaluated system that improved the balance and postural control of adults with cerebral palsy. We used a within-subjects design with the two defined feedback conditions (mirror and no-mirror) with two different groups of users (8 with disabilities and 32 without disabilities) using usability measures (time-to-start (T(s)) and time-to-complete (T(c))). A two-tailed paired samples t-test confirmed that in case of disabilities the mirror feedback facilitated the interaction in vision-based systems for rehabilitation. The measured times were significantly worse in the absence of the user's own visual feedback (T(s) = 7.09 (P < 0.001) and T(c) = 4.48 (P < 0.005)). In vision-based interaction systems, the input device is the user's own body; therefore, it makes sense that feedback should be related to the body of the user. In case of disabilities the mirror feedback mechanisms facilitated the interaction in vision-based systems for rehabilitation. Results recommends developers and researchers use this improvement in vision-based motor rehabilitation interactive systems.

  7. Improving Vision-Based Motor Rehabilitation Interactive Systems for Users with Disabilities Using Mirror Feedback

    PubMed Central

    Martínez-Bueso, Pau; Moyà-Alcover, Biel

    2014-01-01

    Observation is recommended in motor rehabilitation. For this reason, the aim of this study was to experimentally test the feasibility and benefit of including mirror feedback in vision-based rehabilitation systems: we projected the user on the screen. We conducted a user study by using a previously evaluated system that improved the balance and postural control of adults with cerebral palsy. We used a within-subjects design with the two defined feedback conditions (mirror and no-mirror) with two different groups of users (8 with disabilities and 32 without disabilities) using usability measures (time-to-start (Ts) and time-to-complete (Tc)). A two-tailed paired samples t-test confirmed that in case of disabilities the mirror feedback facilitated the interaction in vision-based systems for rehabilitation. The measured times were significantly worse in the absence of the user's own visual feedback (Ts = 7.09 (P < 0.001) and Tc = 4.48 (P < 0.005)). In vision-based interaction systems, the input device is the user's own body; therefore, it makes sense that feedback should be related to the body of the user. In case of disabilities the mirror feedback mechanisms facilitated the interaction in vision-based systems for rehabilitation. Results recommends developers and researchers use this improvement in vision-based motor rehabilitation interactive systems. PMID:25295310

  8. Physics-based scoring of protein-ligand interactions: explicit polarizability, quantum mechanics and free energies.

    PubMed

    Bryce, Richard A

    2011-04-01

    The ability to accurately predict the interaction of a ligand with its receptor is a key limitation in computer-aided drug design approaches such as virtual screening and de novo design. In this article, we examine current strategies for a physics-based approach to scoring of protein-ligand affinity, as well as outlining recent developments in force fields and quantum chemical techniques. We also consider advances in the development and application of simulation-based free energy methods to study protein-ligand interactions. Fuelled by recent advances in computational algorithms and hardware, there is the opportunity for increased integration of physics-based scoring approaches at earlier stages in computationally guided drug discovery. Specifically, we envisage increased use of implicit solvent models and simulation-based scoring methods as tools for computing the affinities of large virtual ligand libraries. Approaches based on end point simulations and reference potentials allow the application of more advanced potential energy functions to prediction of protein-ligand binding affinities. Comprehensive evaluation of polarizable force fields and quantum mechanical (QM)/molecular mechanical and QM methods in scoring of protein-ligand interactions is required, particularly in their ability to address challenging targets such as metalloproteins and other proteins that make highly polar interactions. Finally, we anticipate increasingly quantitative free energy perturbation and thermodynamic integration methods that are practical for optimization of hits obtained from screened ligand libraries.

  9. Magnetic Yoking and Tunable Interactions in FePt-Based Hard/Soft Bilayers.

    PubMed

    Gilbert, Dustin A; Liao, Jung-Wei; Kirby, Brian J; Winklhofer, Michael; Lai, Chih-Huang; Liu, Kai

    2016-01-01

    Magnetic interactions in magnetic nanostructures are critical to nanomagnetic and spintronic explorations. Here we demonstrate an extremely sensitive magnetic yoking effect and tunable interactions in FePt based hard/soft bilayers mediated by the soft layer. Below the exchange length, a thin soft layer strongly exchange couples to the perpendicular moments of the hard layer; above the exchange length, just a few nanometers thicker, the soft layer moments turn in-plane and act to yoke the dipolar fields from the adjacent hard layer perpendicular domains. The evolution from exchange to dipolar-dominated interactions is experimentally captured by first-order reversal curves, the ΔM method, and polarized neutron reflectometry, and confirmed by micromagnetic simulations. These findings demonstrate an effective yoking approach to design and control magnetic interactions in wide varieties of magnetic nanostructures and devices. PMID:27604428

  10. Apparatus and method for interaction phenomena with world modules in data-flow-based simulation

    DOEpatents

    Xavier, Patrick G.; Gottlieb, Eric J.; McDonald, Michael J.; Oppel, III, Fred J.

    2006-08-01

    A method and apparatus accommodate interaction phenomenon in a data-flow-based simulation of a system of elements, by establishing meta-modules to simulate system elements and by establishing world modules associated with interaction phenomena. World modules are associated with proxy modules from a group of meta-modules associated with one of the interaction phenomenon. The world modules include a communication world, a sensor world, a mobility world, and a contact world. World modules can be further associated with other world modules if necessary. Interaction phenomenon are simulated in corresponding world modules by accessing member functions in the associated group of proxy modules. Proxy modules can be dynamically allocated at a desired point in the simulation to accommodate the addition of elements in the system of elements such as a system of robots, a system of communication terminals, or a system of vehicles, being simulated.

  11. Analyzing Carbohydrate-Protein Interaction Based on Single Plasmonic Nanoparticle by Conventional Dark Field Microscopy.

    PubMed

    Jin, Hong-Ying; Li, Da-Wei; Zhang, Na; Gu, Zhen; Long, Yi-Tao

    2015-06-10

    We demonstrated a practical method to analyze carbohydrate-protein interaction based on single plasmonic nanoparticles by conventional dark field microscopy (DFM). Protein concanavalin A (ConA) was modified on large sized gold nanoparticles (AuNPs), and dextran was conjugated on small sized AuNPs. As the interaction between ConA and dextran resulted in two kinds of gold nanoparticles coupled together, which caused coupling of plasmonic oscillations, apparent color changes (from green to yellow) of the single AuNPs were observed through DFM. Then, the color information was instantly transformed into a statistic peak wavelength distribution in less than 1 min by a self-developed statistical program (nanoparticleAnalysis). In addition, the interaction between ConA and dextran was proved with biospecific recognition. This approach is high-throughput and real-time, and is a convenient method to analyze carbohydrate-protein interaction at the single nanoparticle level efficiently. PMID:25985863

  12. Magnetic Yoking and Tunable Interactions in FePt-Based Hard/Soft Bilayers

    PubMed Central

    Gilbert, Dustin A.; Liao, Jung-Wei; Kirby, Brian J.; Winklhofer, Michael; Lai, Chih-Huang; Liu, Kai

    2016-01-01

    Magnetic interactions in magnetic nanostructures are critical to nanomagnetic and spintronic explorations. Here we demonstrate an extremely sensitive magnetic yoking effect and tunable interactions in FePt based hard/soft bilayers mediated by the soft layer. Below the exchange length, a thin soft layer strongly exchange couples to the perpendicular moments of the hard layer; above the exchange length, just a few nanometers thicker, the soft layer moments turn in-plane and act to yoke the dipolar fields from the adjacent hard layer perpendicular domains. The evolution from exchange to dipolar-dominated interactions is experimentally captured by first-order reversal curves, the ΔM method, and polarized neutron reflectometry, and confirmed by micromagnetic simulations. These findings demonstrate an effective yoking approach to design and control magnetic interactions in wide varieties of magnetic nanostructures and devices. PMID:27604428

  13. Predicting protein-RNA interaction amino acids using random forest based on submodularity subset selection.

    PubMed

    Pan, Xiaoyong; Zhu, Lin; Fan, Yong-Xian; Yan, Junchi

    2014-11-13

    Protein-RNA interaction plays a very crucial role in many biological processes, such as protein synthesis, transcription and post-transcription of gene expression and pathogenesis of disease. Especially RNAs always function through binding to proteins. Identification of binding interface region is especially useful for cellular pathways analysis and drug design. In this study, we proposed a novel approach for binding sites identification in proteins, which not only integrates local features and global features from protein sequence directly, but also constructed a balanced training dataset using sub-sampling based on submodularity subset selection. Firstly we extracted local features and global features from protein sequence, such as evolution information and molecule weight. Secondly, the number of non-interaction sites is much more than interaction sites, which leads to a sample imbalance problem, and hence biased machine learning model with preference to non-interaction sites. To better resolve this problem, instead of previous randomly sub-sampling over-represented non-interaction sites, a novel sampling approach based on submodularity subset selection was employed, which can select more representative data subset. Finally random forest were trained on optimally selected training subsets to predict interaction sites. Our result showed that our proposed method is very promising for predicting protein-RNA interaction residues, it achieved an accuracy of 0.863, which is better than other state-of-the-art methods. Furthermore, it also indicated the extracted global features have very strong discriminate ability for identifying interaction residues from random forest feature importance analysis.

  14. Using a dual safeguard web-based interactive teaching approach in an introductory physics class

    NASA Astrophysics Data System (ADS)

    Li, Lie-Ming; Li, Bin; Luo, Ying

    2015-06-01

    We modified the Just-in-Time Teaching approach and developed a dual safeguard web-based interactive (DGWI) teaching system for an introductory physics course. The system consists of four instructional components that improve student learning by including warm-up assignments and online homework. Student and instructor activities involve activities both in the classroom and on a designated web site. An experimental study with control groups evaluated the effectiveness of the DGWI teaching method. The results indicate that the DGWI method is an effective way to improve students' understanding of physics concepts, develop students' problem-solving abilities through instructor-student interactions, and identify students' misconceptions through a safeguard framework based on questions that satisfy teaching requirements and cover all of the course material. The empirical study and a follow-up survey found that the DGWI method increased student-teacher interaction and improved student learning outcomes.

  15. Plume Interaction and Base Flow Analysis of a Twin Engine Flight Vehicle

    NASA Astrophysics Data System (ADS)

    Chandra Murty, Mamidi Sri Rama; Chakraborty, Debasis

    2016-06-01

    3D RANS simulations are performed to study the multi jet interactions of a twin engine gimbal configuration of an aerospace vehicle at different time instants. Simulations captured all the essential features of the flow field and interaction between the neighboring jets did not occur because of low altitudes and moderate under-expansion of the jets considered in the simulations. For higher gimbal angle, two jets were the closest but still did not interact. Detail exploration of the downstream flow field revealed that the distinct features of the jets are retained at the farthest downstream locations; although the pressure field reached the uniformity. Average base pressure ratios for the three different time instances are 0.91, 0.547 and 0.522 and maximum base temperature is of the order 800 K.

  16. Predicting disease-related proteins based on clique backbone in protein-protein interaction network.

    PubMed

    Yang, Lei; Zhao, Xudong; Tang, Xianglong

    2014-01-01

    Network biology integrates different kinds of data, including physical or functional networks and disease gene sets, to interpret human disease. A clique (maximal complete subgraph) in a protein-protein interaction network is a topological module and possesses inherently biological significance. A disease-related clique possibly associates with complex diseases. Fully identifying disease components in a clique is conductive to uncovering disease mechanisms. This paper proposes an approach of predicting disease proteins based on cliques in a protein-protein interaction network. To tolerate false positive and negative interactions in protein networks, extending cliques and scoring predicted disease proteins with gene ontology terms are introduced to the clique-based method. Precisions of predicted disease proteins are verified by disease phenotypes and steadily keep to more than 95%. The predicted disease proteins associated with cliques can partly complement mapping between genotype and phenotype, and provide clues for understanding the pathogenesis of serious diseases.

  17. A Nonlinear Model for Gene-Based Gene-Environment Interaction

    PubMed Central

    Sa, Jian; Liu, Xu; He, Tao; Liu, Guifen; Cui, Yuehua

    2016-01-01

    A vast amount of literature has confirmed the role of gene-environment (G×E) interaction in the etiology of complex human diseases. Traditional methods are predominantly focused on the analysis of interaction between a single nucleotide polymorphism (SNP) and an environmental variable. Given that genes are the functional units, it is crucial to understand how gene effects (rather than single SNP effects) are influenced by an environmental variable to affect disease risk. Motivated by the increasing awareness of the power of gene-based association analysis over single variant based approach, in this work, we proposed a sparse principle component regression (sPCR) model to understand the gene-based G×E interaction effect on complex disease. We first extracted the sparse principal components for SNPs in a gene, then the effect of each principal component was modeled by a varying-coefficient (VC) model. The model can jointly model variants in a gene in which their effects are nonlinearly influenced by an environmental variable. In addition, the varying-coefficient sPCR (VC-sPCR) model has nice interpretation property since the sparsity on the principal component loadings can tell the relative importance of the corresponding SNPs in each component. We applied our method to a human birth weight dataset in Thai population. We analyzed 12,005 genes across 22 chromosomes and found one significant interaction effect using the Bonferroni correction method and one suggestive interaction. The model performance was further evaluated through simulation studies. Our model provides a system approach to evaluate gene-based G×E interaction. PMID:27271617

  18. A Nonlinear Model for Gene-Based Gene-Environment Interaction.

    PubMed

    Sa, Jian; Liu, Xu; He, Tao; Liu, Guifen; Cui, Yuehua

    2016-01-01

    A vast amount of literature has confirmed the role of gene-environment (G×E) interaction in the etiology of complex human diseases. Traditional methods are predominantly focused on the analysis of interaction between a single nucleotide polymorphism (SNP) and an environmental variable. Given that genes are the functional units, it is crucial to understand how gene effects (rather than single SNP effects) are influenced by an environmental variable to affect disease risk. Motivated by the increasing awareness of the power of gene-based association analysis over single variant based approach, in this work, we proposed a sparse principle component regression (sPCR) model to understand the gene-based G×E interaction effect on complex disease. We first extracted the sparse principal components for SNPs in a gene, then the effect of each principal component was modeled by a varying-coefficient (VC) model. The model can jointly model variants in a gene in which their effects are nonlinearly influenced by an environmental variable. In addition, the varying-coefficient sPCR (VC-sPCR) model has nice interpretation property since the sparsity on the principal component loadings can tell the relative importance of the corresponding SNPs in each component. We applied our method to a human birth weight dataset in Thai population. We analyzed 12,005 genes across 22 chromosomes and found one significant interaction effect using the Bonferroni correction method and one suggestive interaction. The model performance was further evaluated through simulation studies. Our model provides a system approach to evaluate gene-based G×E interaction. PMID:27271617

  19. A Nonlinear Model for Gene-Based Gene-Environment Interaction.

    PubMed

    Sa, Jian; Liu, Xu; He, Tao; Liu, Guifen; Cui, Yuehua

    2016-06-04

    A vast amount of literature has confirmed the role of gene-environment (G×E) interaction in the etiology of complex human diseases. Traditional methods are predominantly focused on the analysis of interaction between a single nucleotide polymorphism (SNP) and an environmental variable. Given that genes are the functional units, it is crucial to understand how gene effects (rather than single SNP effects) are influenced by an environmental variable to affect disease risk. Motivated by the increasing awareness of the power of gene-based association analysis over single variant based approach, in this work, we proposed a sparse principle component regression (sPCR) model to understand the gene-based G×E interaction effect on complex disease. We first extracted the sparse principal components for SNPs in a gene, then the effect of each principal component was modeled by a varying-coefficient (VC) model. The model can jointly model variants in a gene in which their effects are nonlinearly influenced by an environmental variable. In addition, the varying-coefficient sPCR (VC-sPCR) model has nice interpretation property since the sparsity on the principal component loadings can tell the relative importance of the corresponding SNPs in each component. We applied our method to a human birth weight dataset in Thai population. We analyzed 12,005 genes across 22 chromosomes and found one significant interaction effect using the Bonferroni correction method and one suggestive interaction. The model performance was further evaluated through simulation studies. Our model provides a system approach to evaluate gene-based G×E interaction.

  20. Accurate energies of hydrogen bonded nucleic acid base pairs and triplets in tRNA tertiary interactions

    PubMed Central

    2006-01-01

    Tertiary interactions are crucial in maintaining the tRNA structure and functionality. We used a combined sequence analysis and quantum mechanics approach to calculate accurate energies of the most frequent tRNA tertiary base pairing interactions. Our analysis indicates that six out of the nine classical tertiary interactions are held in place mainly by H-bonds between the bases. In the remaining three cases other effects have to be considered. Tertiary base pairing interaction energies range from −8 to −38 kcal/mol in yeast tRNAPhe and are estimated to contribute roughly 25% of the overall tRNA base pairing interaction energy. Six analyzed posttranslational chemical modifications were shown to have minor effect on the geometry of the tertiary interactions. Modifications that introduce a positive charge strongly stabilize the corresponding tertiary interactions. Non-additive effects contribute to the stability of base triplets. PMID:16461956

  1. An Interactive Web-Based Program for Stepfamilies: Development and Evaluation of Efficacy

    ERIC Educational Resources Information Center

    Gelatt, Vicky A.; Adler-Baeder, Francesca; Seeley, John R.

    2010-01-01

    This study evaluated the efficacy of a family life education program for stepfamilies that is self-administered, interactive, and web-based. The program uses behavior-modeling videos to demonstrate effective couple, parenting, and stepparenting practices. A diverse sample of 300 parents/stepparents of a child aged 11-15 years were randomized into…

  2. Personality Types and Learners' Interaction in Web-Based Threaded Discussion

    ERIC Educational Resources Information Center

    Lee, JeongMin; Lee, Youngmin

    2006-01-01

    This study examined the effects of group composition based on the learners' personality types as measured by the Myers-Briggs type indicator as they interacted in threaded discussions. Three groups comprised introverts, extroverts, and mixed introvert-extrovert classifications. Ninety-six participants were divided into 24 groups of 4 participants…

  3. Molecular Interactions between a Novel Soybean Oil-Based Polymer and Doxorubicin

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A novel soybean oil-based polymer, hydrolyzed polymers of epoxidized soybean oil (HPESO), was developed and investigated for drug delivery. This work was aimed at determining the molecular interactions between HPESO and doxorubicin (DOX), an anticancer drug. Powder X-ray diffraction, ATR-FTIR and ...

  4. Interactive Computer Based Assessment Tasks: How Problem-Solving Process Data Can Inform Instruction

    ERIC Educational Resources Information Center

    Zoanetti, Nathan

    2010-01-01

    This article presents key steps in the design and analysis of a computer based problem-solving assessment featuring interactive tasks. The purpose of the assessment is to support targeted instruction for students by diagnosing strengths and weaknesses at different stages of problem-solving. The first focus of this article is the task piloting…

  5. Web-Based Interactive System for Analyzing Achievement Gaps in Public Schools System

    ERIC Educational Resources Information Center

    Wang, Kening; Mulvenon, Sean W.; Stegman, Charles; Xia, Yanling

    2010-01-01

    The National Office for Research on Measurement and Evaluation Systems (NORMES) at the University of Arkansas developed a web-based interactive system to provide information on state, district, and school level achievement gaps between white students and black students, socioeconomically disadvantaged students and non-disadvantaged students, male…

  6. Using a Dual Safeguard Web-Based Interactive Teaching Approach in an Introductory Physics Class

    ERIC Educational Resources Information Center

    Li, Lie-Ming; Li, Bin; Luo, Ying

    2015-01-01

    We modified the Just-in-Time Teaching approach and developed a dual safeguard web-based interactive (DGWI) teaching system for an introductory physics course. The system consists of four instructional components that improve student learning by including warm-up assignments and online homework. Student and instructor activities involve activities…

  7. Interaction Between Conceptual Level and Training Method in Computer Based Problem Solving.

    ERIC Educational Resources Information Center

    Sustik, Joan M.; Brown, Bobby R.

    A study of 130 undergraduate students enrolled in a course on auiovisual techniques sought to determine whether heuristic or algorithmic computer-based problem solving training would be differentially effective for students varying in cognitive complexity as measured by the Educational Set Scale (ESS). The interaction was investigated between one…

  8. Learning through Interaction in Children with Autism: Preliminary Data from a Social-Communication-Based Intervention

    ERIC Educational Resources Information Center

    Casenhiser, Devin M.; Shanker, Stuart G.; Stieben, Jim

    2013-01-01

    The study evaluates a social-communication-based approach to autism intervention aimed at improving the social interaction skills of children with autism spectrum disorder. We report preliminary results from an ongoing randomized controlled trial of 51 children aged 2 years 0 months to 4 years 11 months. Participants were assigned to either a…

  9. Learning Mathematics with Interactive Whiteboards and Computer-Based Graphing Utility

    ERIC Educational Resources Information Center

    Erbas, Ayhan Kursat; Ince, Muge; Kaya, Sukru

    2015-01-01

    The purpose of this study was to explore the effect of a technology-supported learning environment utilizing an interactive whiteboard (IWB) and NuCalc graphing software compared to a traditional direct instruction-based environment on student achievement in graphs of quadratic functions and attitudes towards mathematics and technology. Sixty-five…

  10. Reconstruction of missing data in social networks based on temporal patterns of interactions

    NASA Astrophysics Data System (ADS)

    Stomakhin, Alexey; Short, Martin B.; Bertozzi, Andrea L.

    2011-11-01

    We discuss a mathematical framework based on a self-exciting point process aimed at analyzing temporal patterns in the series of interaction events between agents in a social network. We then develop a reconstruction model that allows one to predict the unknown participants in a portion of those events. Finally, we apply our results to the Los Angeles gang network.

  11. Improving Classification of Protein Interaction Articles Using Context Similarity-Based Feature Selection

    PubMed Central

    Chen, Yifei; Sun, Yuxing; Han, Bing-Qing

    2015-01-01

    Protein interaction article classification is a text classification task in the biological domain to determine which articles describe protein-protein interactions. Since the feature space in text classification is high-dimensional, feature selection is widely used for reducing the dimensionality of features to speed up computation without sacrificing classification performance. Many existing feature selection methods are based on the statistical measure of document frequency and term frequency. One potential drawback of these methods is that they treat features separately. Hence, first we design a similarity measure between the context information to take word cooccurrences and phrase chunks around the features into account. Then we introduce the similarity of context information to the importance measure of the features to substitute the document and term frequency. Hence we propose new context similarity-based feature selection methods. Their performance is evaluated on two protein interaction article collections and compared against the frequency-based methods. The experimental results reveal that the context similarity-based methods perform better in terms of the F1 measure and the dimension reduction rate. Benefiting from the context information surrounding the features, the proposed methods can select distinctive features effectively for protein interaction article classification. PMID:26339638

  12. Inquiry and Groups: Student Interactions in Cooperative Inquiry-Based Science

    ERIC Educational Resources Information Center

    Woods-McConney, Amanda; Wosnitza, Marold; Sturrock, Keryn L.

    2016-01-01

    Science education research has recommended cooperative inquiry based science in the primary science context for more than two decades but after more than 20 years, student achievement in science has not substantially improved. This study, through direct observation and analysis, investigated content-related student interactions in an authentic…

  13. Rationale, Design and Implementation of a Computer Vision-Based Interactive E-Learning System

    ERIC Educational Resources Information Center

    Xu, Richard Y. D.; Jin, Jesse S.

    2007-01-01

    This article presents a schematic application of computer vision technologies to e-learning that is synchronous, peer-to-peer-based, and supports an instructor's interaction with non-computer teaching equipments. The article first discusses the importance of these focused e-learning areas, where the properties include accurate bidirectional…

  14. Project-Based Method as an Effective Means of Interdisciplinary Interaction While Teaching a Foreign Language

    ERIC Educational Resources Information Center

    Bondar, Irina Alekseevna; Kulbakova, Renata Ivanovna; Svintorzhitskaja, Irina Andreevna; Pilat, Larisa Pavlovna; Zavrumov, Zaur Aslanovich

    2016-01-01

    The article explains how to use a project-based method as an effective means of interdisciplinary interaction when teaching a foreign language on the example of The Institute of service, tourism and design (branch) of the North Caucasus Federal University (Pyatigorsk, Stavropol Territory Russia). The article holds the main objectives of the…

  15. A Descriptive Assessment of Instruction-Based Interactions in the Preschool Classroom

    ERIC Educational Resources Information Center

    Ndoro, Virginia W.; Hanley, Gregory P.; Tiger, Jeffrey H.; Heal, Nicole A.

    2006-01-01

    The current study describes preschool teacher-child interactions during several commonly scheduled classroom activities in which teachers deliver instructions. An observation system was developed that incorporated measurement of evidence-based compliance strategies and included the types of instructions delivered (e.g., integral or deficient…

  16. Study of Personalized Network Tutoring System Based on Emotional-cognitive Interaction

    NASA Astrophysics Data System (ADS)

    Qi, Manfei; Ma, Ding; Wang, Wansen

    Aiming at emotion deficiency in present Network tutoring system, a lot of negative effects is analyzed and corresponding countermeasures are proposed. The model of Personalized Network tutoring system based on Emotional-cognitive interaction is constructed in the paper. The key techniques of realizing the system such as constructing emotional model and adjusting teaching strategies are also introduced.

  17. Perceptions of the Effectiveness of System Dynamics-Based Interactive Learning Environments: An Empirical Study

    ERIC Educational Resources Information Center

    Qudrat-Ullah, Hassan

    2010-01-01

    The use of simulations in general and of system dynamics simulation based interactive learning environments (SDILEs) in particular is well recognized as an effective way of improving users' decision making and learning in complex, dynamic tasks. However, the effectiveness of SDILEs in classrooms has rarely been evaluated. This article describes…

  18. The TEACH Method: An Interactive Approach for Teaching the Needs-Based Theories Of Motivation

    ERIC Educational Resources Information Center

    Moorer, Cleamon, Jr.

    2014-01-01

    This paper describes an interactive approach for explaining and teaching the Needs-Based Theories of Motivation. The acronym TEACH stands for Theory, Example, Application, Collaboration, and Having Discussion. This method can help business students to better understand and distinguish the implications of Maslow's Hierarchy of Needs,…

  19. Understanding Manual-Based Behavior Therapy: Some Theoretical Foundations of Parent-Child Interaction Therapy.

    ERIC Educational Resources Information Center

    Greco, Laurie A.; Sorrell, John T.; McNeil, Cheryl B.

    2001-01-01

    Provides a model of understanding and evaluating manualized treatments by beginning with a review of the theory and data-driven principles upon which one treatment, Parent-Child Interaction Therapy (PCIT), is based. As a point of illustration, several principles of PCIT, such as reinforcement, punishment, and stimulus control, are highlighted, and…

  20. Levels of Interaction and Proximity: Content Analysis of Video-Based Classroom Cases

    ERIC Educational Resources Information Center

    Kale, Ugur

    2008-01-01

    This study employed content analysis techniques to examine video-based cases of two websites that exemplify learner-centered pedagogies for pre-service teachers to carry out in their teaching practices. The study focused on interaction types and physical proximity levels between students and teachers observed in the videos. The findings regarding…

  1. Interactive Computer-Assisted Instruction in Acid-Base Physiology for Mobile Computer Platforms

    ERIC Educational Resources Information Center

    Longmuir, Kenneth J.

    2014-01-01

    In this project, the traditional lecture hall presentation of acid-base physiology in the first-year medical school curriculum was replaced by interactive, computer-assisted instruction designed primarily for the iPad and other mobile computer platforms. Three learning modules were developed, each with ~20 screens of information, on the subjects…

  2. Specifying and Refining a Measurement Model for a Computer-Based Interactive Assessment

    ERIC Educational Resources Information Center

    Levy, Roy; Mislevy, Robert J.

    2004-01-01

    The challenges of modeling students' performance in computer-based interactive assessments include accounting for multiple aspects of knowledge and skill that arise in different situations and the conditional dependencies among multiple aspects of performance. This article describes a Bayesian approach to modeling and estimating cognitive models…

  3. An Interaction-Based Model of a Social Exchange in the Two-Generation Farm Family.

    ERIC Educational Resources Information Center

    Ballard-Reisch, Deborah S.; Weigel, Daniel J.

    1991-01-01

    Presents a model which blends the family and work spheres into an exchange-based model of family interaction in two-generation farm families. Specific recommendations are made to help rural family practitioners, educators, and Cooperative Extension agents better understand and work with two-generation farm families. (LLL)

  4. An Investigation of Interactive, Dialogue-Based Instruction for Undergraduate Art History

    ERIC Educational Resources Information Center

    Gioffre, Penelope

    2012-01-01

    This paper explores the feasibility and efficacy of incorporating an interactive, discussion-based instructional approach into an undergraduate art history survey course and investigates effects of the new pedagogic strategy on students' demonstrated comprehension and retention of required content. The action research project follows a systematic…

  5. Development and Evaluation of an Interactive Internet-Based Pharmacokinetic Teaching Module.

    ERIC Educational Resources Information Center

    Hedaya, Mohsen A.

    1998-01-01

    Describes an Internet-based, interactive, learner-centered, asynchronous instructional module for pharmacokinetics that requires minimal computer knowledge to operate. Main components are concept presentation, a simulation exercise, and self-assessment questions. The module has been found effective in teaching the steady state concept at the…

  6. The Application Study of MCU in Visual Classroom Interactive Teaching Based on Virtual Experiment Platform

    NASA Astrophysics Data System (ADS)

    Ding, Diankuan; Li, Lixin

    Because many students are lacking in perceptual knowledge of MCU, they are difficult to engage themselves in classroom activities. The paper therefore offers an interactive teaching mode of proteus-based MCU virtual laboratory. The teaching mode is of help in arousing students' interests, improving their learning efficiency and practical abilities, and promoting the teaching reform of MCU subject.

  7. A Perylene-Based Microporous Coordination Polymer Interacts Selectively with Electron-Poor Aromatics.

    PubMed

    Tran, Ly D; Ma, Jialiu; Wong-Foy, Antek G; Matzger, Adam J

    2016-04-11

    The design, synthesis, and properties of the new microporous coordination polymer UMCM-310 are described. The unique electronic character of the perylene-based linker enables selective interaction with electron-poor aromatics leading to efficient separation of nitroaromatics. UMCM-310 possesses high surface area and large pore size and thus permits the separation of large organic molecules based on adsorption rather than size exclusion.

  8. ClicO FS: an interactive web-based service of Circos

    PubMed Central

    Cheong, Wei-Hien; Tan, Yung-Chie; Yap, Soon-Joo; Ng, Kee-Peng

    2015-01-01

    Summary: We present ClicO Free Service, an online web-service based on Circos, which provides a user-friendly, interactive web-based interface with configurable features to generate Circos circular plots. Availability and implementation: Online web-service is freely available at http://clicofs.codoncloud.com Contact: soonjoo.yap@codongenomics.com Supplementary information: Supplementary data are available at Bioinformatics online. PMID:26227146

  9. MultiWaveLink: An interactive data base for the coordination of multiwavelength and multifacility observations

    NASA Technical Reports Server (NTRS)

    Cordova, F. A.

    1993-01-01

    MultiWaveLink is an interactive, computerized data base that was developed to facilitate a multi-wavelength approach to studying astrophysical sources. It can be used to access information about multiwavelenth resources (observers, telescopes, data bases and analysis facilities) or to organize observing campaigns that require either many telescopes operating in different spectral regimes or a network of similar telescopes circumspanning the Earth.

  10. miRTarBase 2016: updates to the experimentally validated miRNA-target interactions database

    PubMed Central

    Chou, Chih-Hung; Chang, Nai-Wen; Shrestha, Sirjana; Hsu, Sheng-Da; Lin, Yu-Ling; Lee, Wei-Hsiang; Yang, Chi-Dung; Hong, Hsiao-Chin; Wei, Ting-Yen; Tu, Siang-Jyun; Tsai, Tzi-Ren; Ho, Shu-Yi; Jian, Ting-Yan; Wu, Hsin-Yi; Chen, Pin-Rong; Lin, Nai-Chieh; Huang, Hsin-Tzu; Yang, Tzu-Ling; Pai, Chung-Yuan; Tai, Chun-San; Chen, Wen-Liang; Huang, Chia-Yen; Liu, Chun-Chi; Weng, Shun-Long; Liao, Kuang-Wen; Hsu, Wen-Lian; Huang, Hsien-Da

    2016-01-01

    MicroRNAs (miRNAs) are small non-coding RNAs of approximately 22 nucleotides, which negatively regulate the gene expression at the post-transcriptional level. This study describes an update of the miRTarBase (http://miRTarBase.mbc.nctu.edu.tw/) that provides information about experimentally validated miRNA-target interactions (MTIs). The latest update of the miRTarBase expanded it to identify systematically Argonaute-miRNA-RNA interactions from 138 crosslinking and immunoprecipitation sequencing (CLIP-seq) data sets that were generated by 21 independent studies. The database contains 4966 articles, 7439 strongly validated MTIs (using reporter assays or western blots) and 348 007 MTIs from CLIP-seq. The number of MTIs in the miRTarBase has increased around 7-fold since the 2014 miRTarBase update. The miRNA and gene expression profiles from The Cancer Genome Atlas (TCGA) are integrated to provide an effective overview of this exponential growth in the miRNA experimental data. These improvements make the miRTarBase one of the more comprehensively annotated, experimentally validated miRNA-target interactions databases and motivate additional miRNA research efforts. PMID:26590260

  11. Physiologically Based Pharmacokinetic Modeling Framework for Quantitative Prediction of an Herb–Drug Interaction

    PubMed Central

    Brantley, S J; Gufford, B T; Dua, R; Fediuk, D J; Graf, T N; Scarlett, Y V; Frederick, K S; Fisher, M B; Oberlies, N H; Paine, M F

    2014-01-01

    Herb–drug interaction predictions remain challenging. Physiologically based pharmacokinetic (PBPK) modeling was used to improve prediction accuracy of potential herb–drug interactions using the semipurified milk thistle preparation, silibinin, as an exemplar herbal product. Interactions between silibinin constituents and the probe substrates warfarin (CYP2C9) and midazolam (CYP3A) were simulated. A low silibinin dose (160 mg/day × 14 days) was predicted to increase midazolam area under the curve (AUC) by 1%, which was corroborated with external data; a higher dose (1,650 mg/day × 7 days) was predicted to increase midazolam and (S)-warfarin AUC by 5% and 4%, respectively. A proof-of-concept clinical study confirmed minimal interaction between high-dose silibinin and both midazolam and (S)-warfarin (9 and 13% increase in AUC, respectively). Unexpectedly, (R)-warfarin AUC decreased (by 15%), but this is unlikely to be clinically important. Application of this PBPK modeling framework to other herb–drug interactions could facilitate development of guidelines for quantitative prediction of clinically relevant interactions. PMID:24670388

  12. RKKY interaction in P-N junction based on surface states of 3D topological insulator

    NASA Astrophysics Data System (ADS)

    Zhang, Shuhui; Yang, Wen; Chang, Kai

    The RKKY interaction mediated by conduction electrons supplies a mechanism to realize the long-range coupling of localized spins which is desired for the spin devices. Here, we examine the controllability of RKKY interaction in P-N junction (PNJ) based on surface states of 3D topological insulator (3DTI). In this study, through quantum way but not usual classical analogy to light propagation, the intuitive picture for electron waves across the interface of PNJ is obtained, e.g., Klein tunneling, negative refraction and focusing. Moreover, we perform the numerical calculations for all kinds of RKKY interaction including the Heisenberg, Ising, and Dzyaloshinskii-Moriya terms. We find the focusing of surface states leads to the local augmentation of RKKY interaction. Most importantly, a dimension transition occurs, i.e., the decay rate of RKKY interaction from the deserved 1/R 2 to 1/ R . In addition, the quadratic gate-dependence of RKKY interaction is also beneficial to the application of 3DTI PNJ in the fields of spintronics and quantum computation. This work was supported by the MOST (Grant No. 2015CB921503, and No. 2014CB848700) and NSFC (Grant No. 11434010, No. 11274036, No. 11322542, and No. 11504018).

  13. Learning through interaction in children with autism: preliminary data from asocial-communication-based intervention.

    PubMed

    Casenhiser, Devin M; Shanker, Stuart G; Stieben, Jim

    2013-03-01

    The study evaluates a social-communication-based approach to autism intervention aimed at improving the social interaction skills of children with autism spectrum disorder. We report preliminary results from an ongoing randomized controlled trial of 51 children aged 2 years 0 months to 4 years 11 months. Participants were assigned to either a target treatment or community treatment group. Families in the target treatment group were given 2 hours of therapy and coaching each week in an intervention emphasizing social-interaction and the parent-child relationship. Children in the community treatment group received a variety of services averaging 3.9 hours per week. After 12 months, outcomes were measured to determine changes in the groups in social interaction and communication. In addition, a regression analysis was conducted to determine whether changes in social interaction skills were associated with language development. Results suggest that children in the treatment group made significantly greater gains in social interaction skills in comparison to the community treatment group, but no between-group differences were found for standard language assessments. Initiation of joint attention, involvement, and severity of language delay were found to be significantly associated with improvement of language skills in children with autism. Finally caregiver skills targeted by the intervention were found to be significantly associated with changes in children's interaction skills.

  14. Protein-protein interaction inference based on semantic similarity of Gene Ontology terms.

    PubMed

    Zhang, Shu-Bo; Tang, Qiang-Rong

    2016-07-21

    Identifying protein-protein interactions is important in molecular biology. Experimental methods to this issue have their limitations, and computational approaches have attracted more and more attentions from the biological community. The semantic similarity derived from the Gene Ontology (GO) annotation has been regarded as one of the most powerful indicators for protein interaction. However, conventional methods based on GO similarity fail to take advantage of the specificity of GO terms in the ontology graph. We proposed a GO-based method to predict protein-protein interaction by integrating different kinds of similarity measures derived from the intrinsic structure of GO graph. We extended five existing methods to derive the semantic similarity measures from the descending part of two GO terms in the GO graph, then adopted a feature integration strategy to combines both the ascending and the descending similarity scores derived from the three sub-ontologies to construct various kinds of features to characterize each protein pair. Support vector machines (SVM) were employed as discriminate classifiers, and five-fold cross validation experiments were conducted on both human and yeast protein-protein interaction datasets to evaluate the performance of different kinds of integrated features, the experimental results suggest the best performance of the feature that combines information from both the ascending and the descending parts of the three ontologies. Our method is appealing for effective prediction of protein-protein interaction.

  15. HEMORHEOLOGICAL IMPLICATIONS OF PERFLUOROCARBON BASED OXYGEN CARRIER INTERACTION WITH COLLOID PLASMA EXPANDERS AND BLOOD

    PubMed Central

    Vásquez, Diana M.; Ortiz, Daniel; Alvarez, Oscar A.; Briceño, Juan C.; Cabrales, Pedro

    2013-01-01

    Perfluorocarbon (PFC) emulsion based oxygen carriers lack colloid osmotic pressure (COP) and must be administered with colloid-based plasma expanders (PEs). Although PFC emulsions have been widely studied, there is limited information about PFC emulsion interaction with PEs and blood. Their interaction forms aggregates due to electrostatic and rheological phenomena, and change blood rheology and blood flow. This study analyzes the effects of the interaction between PFC emulsions with blood in the presence of clinically-used PEs. The rheological behavior of the mixtures was analyzed in parallel with in vivo analysis of blood flow in microvessels using intravital microscopy when administered in a clinically relevant scenario. The interaction between the PFC emulsion and PE with blood produced PFC droplets and red blood cell (RBCs) aggregation, and increased blood viscosity. The PFC droplets formed aggregates when mixed with PEs containing electrolytes, and the aggregation increased with the electrolyte concentration. Mixtures of PFC with PEs that produced PFC aggregates also induced RCBs aggregation when mixed with blood, increasing blood viscosity at low shear rates. The more viscous suspension at low shear rates produced a blunted blood flow velocity profile in vivo relative to non-aggregating mixtures of PFC and PEs. For the PEs evaluated, albumin produced minimal to undetectable aggregation. PFC and PEs interaction with blood can affect sections of the microcirculation with low shear rate (e.g. arterioles, venules, and pulmonary circulation) because aggregates could cause capillary occlusion, decrease perfusion, pulmonary emboli, or focal ischemia. PMID:23606592

  16. Protein-protein interaction inference based on semantic similarity of Gene Ontology terms.

    PubMed

    Zhang, Shu-Bo; Tang, Qiang-Rong

    2016-07-21

    Identifying protein-protein interactions is important in molecular biology. Experimental methods to this issue have their limitations, and computational approaches have attracted more and more attentions from the biological community. The semantic similarity derived from the Gene Ontology (GO) annotation has been regarded as one of the most powerful indicators for protein interaction. However, conventional methods based on GO similarity fail to take advantage of the specificity of GO terms in the ontology graph. We proposed a GO-based method to predict protein-protein interaction by integrating different kinds of similarity measures derived from the intrinsic structure of GO graph. We extended five existing methods to derive the semantic similarity measures from the descending part of two GO terms in the GO graph, then adopted a feature integration strategy to combines both the ascending and the descending similarity scores derived from the three sub-ontologies to construct various kinds of features to characterize each protein pair. Support vector machines (SVM) were employed as discriminate classifiers, and five-fold cross validation experiments were conducted on both human and yeast protein-protein interaction datasets to evaluate the performance of different kinds of integrated features, the experimental results suggest the best performance of the feature that combines information from both the ascending and the descending parts of the three ontologies. Our method is appealing for effective prediction of protein-protein interaction. PMID:27117309

  17. A sequence-based computational approach to predicting PDZ domain-peptide interactions.

    PubMed

    Nakariyakul, Songyot; Liu, Zhi-Ping; Chen, Luonan

    2014-01-01

    The PDZ domain is one of the most ubiquitous protein domains that is involved in coordinating signaling complex formation and protein networking by reversibly interacting with multiple binding partners. It has been linked to many devastating diseases such as avian influenza, Fraser syndrome, Usher syndrome and Dejerine-Sottas neuropathy. Understanding the selectivity of PDZ domains can help elucidate how defects in PDZ proteins and their binding partners lead to human diseases. Since experimental methods to determine the interaction specificity of the PDZ domains are expensive and labor intensive, an accurate computational method is thus needed. Our developed support vector machine-based predictor using dipeptide composition is shown to qualitatively predict PDZ domain-peptide interaction with a high accuracy rate. Furthermore, since most of the dipeptide compositions are redundant and irrelevant, we propose a new hybrid feature selection technique to select only a subset of these compositions for interaction prediction. The experimental results show that only approximately 25% of dipeptide features are needed and that our method improves the prediction results significantly. The selected dipeptide features are also analyzed and shown to play important roles in specificity patterns of PDZ domains. Our method is based only on primary sequence information, and it can be used for the research of drug target and drug design in identifying PDZ domain-ligand interactions. This article is part of a Special Issue entitled: Computational Proteomics, Systems Biology & Clinical Implications. Guest Editor: Yudong Cai. PMID:23608946

  18. General theory based on fluctuational electrodynamics for van der Waals interactions in colloidal systems

    SciTech Connect

    Yannopapas, Vassilios

    2007-12-15

    A rigorous theory for the determination of the van der Waals interactions in colloidal systems is presented. The method is based on fluctuational electrodynamics and a multiple-scattering method which provides the electromagnetic Green's tensor. In particular, expressions for the Green's tensor are presented for arbitrary, finite collections of colloidal particles, for infinitely periodic or defected crystals, as well as for finite slabs of crystals. The presented formalism allows for ab initio calculations of the van der Waals interactions in colloidal systems since it takes fully into account retardation, many-body, multipolar, and near-field effects.

  19. Interactive Cosmetic Makeup of a 3D Point-Based Face Model

    NASA Astrophysics Data System (ADS)

    Kim, Jeong-Sik; Choi, Soo-Mi

    We present an interactive system for cosmetic makeup of a point-based face model acquired by 3D scanners. We first enhance the texture of a face model in 3D space using low-pass Gaussian filtering, median filtering, and histogram equalization. The user is provided with a stereoscopic display and haptic feedback, and can perform simulated makeup tasks including the application of foundation, color makeup, and lip gloss. Fast rendering is achieved by processing surfels using the GPU, and we use a BSP tree data structure and a dynamic local refinement of the facial surface to provide interactive haptics. We have implemented a prototype system and evaluated its performance.

  20. String-theory-based predictions for nonhydrodynamic collective modes in strongly interacting Fermi gases

    NASA Astrophysics Data System (ADS)

    Bantilan, H.; Brewer, J. T.; Ishii, T.; Lewis, W. E.; Romatschke, P.

    2016-09-01

    Very different strongly interacting quantum systems such as Fermi gases, quark-gluon plasmas formed in high-energy ion collisions, and black holes studied theoretically in string theory are known to exhibit quantitatively similar damping of hydrodynamic modes. It is not known if such similarities extend beyond the hydrodynamic limit. Do nonhydrodynamic collective modes in Fermi gases with strong interactions also match those from string theory calculations? In order to answer this question, we use calculations based on string theory to make predictions for modes outside the hydrodynamic regime in trapped Fermi gases. These predictions are amenable to direct testing with current state-of-the-art cold atom experiments.

  1. A personal computer based interactive software for power system operation education

    SciTech Connect

    Hsu, Y.Y.; Yang, C.C. ); Su, C.C. )

    1992-11-01

    The use of a personal computer based interactive software to aid instruction in power system operation is described in this paper. The software is designed to be used as a teaching aid for the course Power System Operation at National Taiwan University. The main programs included in the package include short term load forecasting and unit commitment. Other supporting routines include power flow analysis, static security assessment, small signal stability analysis, and transient stability analysis. To promote the students' interest in the course, a user friendly interface and interactive windows have been developed. The integrated software package proves to be useful for educational and research purposes.

  2. InterRNA: a database of base interactions in RNA structures

    PubMed Central

    Appasamy, Sri Devan; Hamdani, Hazrina Yusof; Ramlan, Effirul Ikhwan; Firdaus-Raih, Mohd

    2016-01-01

    A major component of RNA structure stabilization are the hydrogen bonded interactions between the base residues. The importance and biological relevance for large clusters of base interactions can be much more easily investigated when their occurrences have been systematically detected, catalogued and compared. In this paper, we describe the database InterRNA (INTERactions in RNA structures database—http://mfrlab.org/interrna/) that contains records of known RNA 3D motifs as well as records for clusters of bases that are interconnected by hydrogen bonds. The contents of the database were compiled from RNA structural annotations carried out by the NASSAM (http://mfrlab.org/grafss/nassam) and COGNAC (http://mfrlab.org/grafss/cognac) computer programs. An analysis of the database content and comparisons with the existing corpus of knowledge regarding RNA 3D motifs clearly show that InterRNA is able to provide an extension of the annotations for known motifs as well as able to provide novel interactions for further investigations. PMID:26553798

  3. Interactive Learning Environment: Web-based Virtual Hydrological Simulation System using Augmented and Immersive Reality

    NASA Astrophysics Data System (ADS)

    Demir, I.

    2014-12-01

    Recent developments in internet technologies make it possible to manage and visualize large data on the web. Novel visualization techniques and interactive user interfaces allow users to create realistic environments, and interact with data to gain insight from simulations and environmental observations. The hydrological simulation system is a web-based 3D interactive learning environment for teaching hydrological processes and concepts. The simulation systems provides a visually striking platform with realistic terrain information, and water simulation. Students can create or load predefined scenarios, control environmental parameters, and evaluate environmental mitigation alternatives. The web-based simulation system provides an environment for students to learn about the hydrological processes (e.g. flooding and flood damage), and effects of development and human activity in the floodplain. The system utilizes latest web technologies and graphics processing unit (GPU) for water simulation and object collisions on the terrain. Users can access the system in three visualization modes including virtual reality, augmented reality, and immersive reality using heads-up display. The system provides various scenarios customized to fit the age and education level of various users. This presentation provides an overview of the web-based flood simulation system, and demonstrates the capabilities of the system for various visualization and interaction modes.

  4. Identification of Essential Proteins Based on a New Combination of Local Interaction Density and Protein Complexes

    PubMed Central

    Luo, Jiawei; Qi, Yi

    2015-01-01

    Background Computational approaches aided by computer science have been used to predict essential proteins and are faster than expensive, time-consuming, laborious experimental approaches. However, the performance of such approaches is still poor, making practical applications of computational approaches difficult in some fields. Hence, the development of more suitable and efficient computing methods is necessary for identification of essential proteins. Method In this paper, we propose a new method for predicting essential proteins in a protein interaction network, local interaction density combined with protein complexes (LIDC), based on statistical analyses of essential proteins and protein complexes. First, we introduce a new local topological centrality, local interaction density (LID), of the yeast PPI network; second, we discuss a new integration strategy for multiple bioinformatics. The LIDC method was then developed through a combination of LID and protein complex information based on our new integration strategy. The purpose of LIDC is discovery of important features of essential proteins with their neighbors in real protein complexes, thereby improving the efficiency of identification. Results Experimental results based on three different PPI(protein-protein interaction) networks of Saccharomyces cerevisiae and Escherichia coli showed that LIDC outperformed classical topological centrality measures and some recent combinational methods. Moreover, when predicting MIPS datasets, the better improvement of performance obtained by LIDC is over all nine reference methods (i.e., DC, BC, NC, LID, PeC, CoEWC, WDC, ION, and UC). Conclusions LIDC is more effective for the prediction of essential proteins than other recently developed methods. PMID:26125187

  5. Design and Implementation of an Interactive Web-Based Near Real-Time Forest Monitoring System.

    PubMed

    Pratihast, Arun Kumar; DeVries, Ben; Avitabile, Valerio; de Bruin, Sytze; Herold, Martin; Bergsma, Aldo

    2016-01-01

    This paper describes an interactive web-based near real-time (NRT) forest monitoring system using four levels of geographic information services: 1) the acquisition of continuous data streams from satellite and community-based monitoring using mobile devices, 2) NRT forest disturbance detection based on satellite time-series, 3) presentation of forest disturbance data through a web-based application and social media and 4) interaction of the satellite based disturbance alerts with the end-user communities to enhance the collection of ground data. The system is developed using open source technologies and has been implemented together with local experts in the UNESCO Kafa Biosphere Reserve, Ethiopia. The results show that the system is able to provide easy access to information on forest change and considerably improves the collection and storage of ground observation by local experts. Social media leads to higher levels of user interaction and noticeably improves communication among stakeholders. Finally, an evaluation of the system confirms the usability of the system in Ethiopia. The implemented system can provide a foundation for an operational forest monitoring system at the national level for REDD+ MRV applications.

  6. Design and Implementation of an Interactive Web-Based Near Real-Time Forest Monitoring System

    PubMed Central

    Pratihast, Arun Kumar; DeVries, Ben; Avitabile, Valerio; de Bruin, Sytze; Herold, Martin; Bergsma, Aldo

    2016-01-01

    This paper describes an interactive web-based near real-time (NRT) forest monitoring system using four levels of geographic information services: 1) the acquisition of continuous data streams from satellite and community-based monitoring using mobile devices, 2) NRT forest disturbance detection based on satellite time-series, 3) presentation of forest disturbance data through a web-based application and social media and 4) interaction of the satellite based disturbance alerts with the end-user communities to enhance the collection of ground data. The system is developed using open source technologies and has been implemented together with local experts in the UNESCO Kafa Biosphere Reserve, Ethiopia. The results show that the system is able to provide easy access to information on forest change and considerably improves the collection and storage of ground observation by local experts. Social media leads to higher levels of user interaction and noticeably improves communication among stakeholders. Finally, an evaluation of the system confirms the usability of the system in Ethiopia. The implemented system can provide a foundation for an operational forest monitoring system at the national level for REDD+ MRV applications. PMID:27031694

  7. Design and Implementation of an Interactive Web-Based Near Real-Time Forest Monitoring System.

    PubMed

    Pratihast, Arun Kumar; DeVries, Ben; Avitabile, Valerio; de Bruin, Sytze; Herold, Martin; Bergsma, Aldo

    2016-01-01

    This paper describes an interactive web-based near real-time (NRT) forest monitoring system using four levels of geographic information services: 1) the acquisition of continuous data streams from satellite and community-based monitoring using mobile devices, 2) NRT forest disturbance detection based on satellite time-series, 3) presentation of forest disturbance data through a web-based application and social media and 4) interaction of the satellite based disturbance alerts with the end-user communities to enhance the collection of ground data. The system is developed using open source technologies and has been implemented together with local experts in the UNESCO Kafa Biosphere Reserve, Ethiopia. The results show that the system is able to provide easy access to information on forest change and considerably improves the collection and storage of ground observation by local experts. Social media leads to higher levels of user interaction and noticeably improves communication among stakeholders. Finally, an evaluation of the system confirms the usability of the system in Ethiopia. The implemented system can provide a foundation for an operational forest monitoring system at the national level for REDD+ MRV applications. PMID:27031694

  8. Approaches to Interactive Video Anchors in Problem-based Science Learning

    NASA Astrophysics Data System (ADS)

    Kumar, David Devraj

    2010-02-01

    This paper is an invited adaptation of the IEEE Education Society Distinguished Lecture Approaches to Interactive Video Anchors in Problem-Based Science Learning. Interactive video anchors have a cognitive theory base, and they help to enlarge the context of learning with information-rich real-world situations. Carefully selected movie clips and custom-developed regular videos and virtual simulations have been successfully used as anchors in problem-based science learning. Examples discussed include a range of situations such as Indiana Jones tackling a trap, a teenager misrepresenting lead for gold, an agriculture inspection at the US border, counterintuitive events, analyzing a river ecosystem for pollution, and finding the cause of illness in a nineteenth century river city. Suggestions for teachers are provided.

  9. Regulatory Interactions in ProKaryotes from RegTransBase

    DOE Data Explorer

    Dubchak, Inna; Gelfand, Mikhail

    RegTransBase, a manually curated database of regulatory interactions in prokaryotes, captures the knowledge in published scientific literature using a controlled vocabulary. RegTransBase describes a large number of regulatory interactions reported in many organisms and contains various types of experimental data, in particular: the activation or repression of transcription by an identified direct regulator determining the transcriptional regulatory function of a protein (or RNA) directly binding to DNA or RNA mapping or prediction of binding sites for a regulatory protein characterization of regulatory mutations. RegTransBase also contains manually created position weight matrices (PWM) that can be used to identify candidate regulatory sites in over 60 species. (Specialized Interface)

  10. A walking prescription for statically-stable walkers based on walker/terrain interaction

    NASA Technical Reports Server (NTRS)

    Nagy, Peter V.; Whittaker, William L.; Desa, Subhas

    1992-01-01

    The walker/terrain interaction phenomena for the control of a statically stable walking machine are described. The algorithms, measures, and knowledge of walker/terrain interaction phenomena are then combined to form a prescription for how to walk on general terrain. This prescription consists of two parts: nominal control and reactive control. The function of nominal control is the evaluation and execution of planned motions, based on predicted foot force redistributions, to achieve reliable locomotion. The function of reactive control is the monitoring of walker/terrain interaction in real-time to detect anomalous conditions and then respond with the appropriate reflexive actions. Simulations and experiments have been used to test and verify various aspects of the walking prescription.

  11. The influence of arene-ring size on stacking interaction with canonical base pairs

    NASA Astrophysics Data System (ADS)

    Formánek, Martin; Burda, Jaroslav V.

    2014-04-01

    Stacking interactions between aromatic molecules (benzene, p-cymene, biphenyl, and di- and tetra-hydrogen anthracene) and G.C and A.T canonical Watson-Crick (WC) base pairs are explored. Two functionals with dispersion corrections: ω-B97XD and B3LYP-D3 are used. For a comparison also the MP2 and B3LYP-D3/PCM methods were used for the most stable p-cymene…WC geometries. It was found that the stacking interaction increases with the size of π-conjugation system. Its extent is in agreement with experimental finding on anticancer activity of Ru(II) piano-stool complexes where intercalation of these aromatic molecules should play an important role. The explored structures are considered as ternary system so that decomposition of the interaction energy to pairwise and non-additivity contributions is also examined.

  12. Micromechanics-based elastic model for functionally graded materials with particle interactions

    SciTech Connect

    Yin, H.M.; Sun, L.Z.; Paulino, G.H

    2004-07-12

    A micromechanics-based elastic model is developed for two-phase functionally graded materials with locally pair-wise interactions between particles. While the effective material properties change gradually along the gradation direction, there exist two microstructurally distinct zones: particle-matrix zone and transition zone. In the particle-matrix zone, pair-wise interactions between particles are employed using a modified Green's function method. By integrating the interactions from all other particles over the representative volume element, the homogenized elastic fields are obtained. The effective stiffness distribution over the gradation direction is further derived. In the transition zone, a transition function is constructed to make the homogenized elastic fields continuous and differentiable in the gradation direction. The model prediction is compared with other models and experimental data to demonstrate the capability of the proposed method.

  13. Intriguing radical-radical interactions among double-electron oxidized adenine-thymine base pairs

    NASA Astrophysics Data System (ADS)

    Wang, Mei; Zhao, Jing; Zhang, Laibin; Su, Xiyu; Su, Hanlei; Bu, Yuxiang

    2015-01-01

    We present a theoretical investigation of the structural and electronic properties of double-electron oxidized adenine-thymine base pair as well as its deprotonated Watson-Crick derivatives. Double-electron oxidation can destabilize the AT unit, leading to a barrier-hindered metastable A+T+ state with a dissociation channel featuring negative dissociation energy. This unusual energetic phenomenon originates from the competition of electrostatic repulsion and attractively hydrogen-bonding interaction co-existing between Arad + and Trad +. The associated double-proton-transfer process is also explored, suggesting a possible two-step mechanism. Magnetic coupling interactions of various diradical structures are controlled by both intra- and inter-molecular interactions.

  14. A non-verbal Turing test: differentiating mind from machine in gaze-based social interaction.

    PubMed

    Pfeiffer, Ulrich J; Timmermans, Bert; Bente, Gary; Vogeley, Kai; Schilbach, Leonhard

    2011-01-01

    In social interaction, gaze behavior provides important signals that have a significant impact on our perception of others. Previous investigations, however, have relied on paradigms in which participants are passive observers of other persons' gazes and do not adjust their gaze behavior as is the case in real-life social encounters. We used an interactive eye-tracking paradigm that allows participants to interact with an anthropomorphic virtual character whose gaze behavior is responsive to where the participant looks on the stimulus screen in real time. The character's gaze reactions were systematically varied along a continuum from a maximal probability of gaze aversion to a maximal probability of gaze-following during brief interactions, thereby varying contingency and congruency of the reactions. We investigated how these variations influenced whether participants believed that the character was controlled by another person (i.e., a confederate) or a computer program. In a series of experiments, the human confederate was either introduced as naïve to the task, cooperative, or competitive. Results demonstrate that the ascription of humanness increases with higher congruency of gaze reactions when participants are interacting with a naïve partner. In contrast, humanness ascription is driven by the degree of contingency irrespective of congruency when the confederate was introduced as cooperative. Conversely, during interaction with a competitive confederate, judgments were neither based on congruency nor on contingency. These results offer important insights into what renders the experience of an interaction truly social: Humans appear to have a default expectation of reciprocation that can be influenced drastically by the presumed disposition of the interactor to either cooperate or compete. PMID:22096599

  15. A Non-Verbal Turing Test: Differentiating Mind from Machine in Gaze-Based Social Interaction

    PubMed Central

    Pfeiffer, Ulrich J.; Timmermans, Bert; Bente, Gary; Vogeley, Kai; Schilbach, Leonhard

    2011-01-01

    In social interaction, gaze behavior provides important signals that have a significant impact on our perception of others. Previous investigations, however, have relied on paradigms in which participants are passive observers of other persons’ gazes and do not adjust their gaze behavior as is the case in real-life social encounters. We used an interactive eye-tracking paradigm that allows participants to interact with an anthropomorphic virtual character whose gaze behavior is responsive to where the participant looks on the stimulus screen in real time. The character’s gaze reactions were systematically varied along a continuum from a maximal probability of gaze aversion to a maximal probability of gaze-following during brief interactions, thereby varying contingency and congruency of the reactions. We investigated how these variations influenced whether participants believed that the character was controlled by another person (i.e., a confederate) or a computer program. In a series of experiments, the human confederate was either introduced as naïve to the task, cooperative, or competitive. Results demonstrate that the ascription of humanness increases with higher congruency of gaze reactions when participants are interacting with a naïve partner. In contrast, humanness ascription is driven by the degree of contingency irrespective of congruency when the confederate was introduced as cooperative. Conversely, during interaction with a competitive confederate, judgments were neither based on congruency nor on contingency. These results offer important insights into what renders the experience of an interaction truly social: Humans appear to have a default expectation of reciprocation that can be influenced drastically by the presumed disposition of the interactor to either cooperate or compete. PMID:22096599

  16. Detecting genetic interactions in pathway-based genome-wide association studies.

    PubMed

    Huang, Anhui; Martin, Eden R; Vance, Jeffery M; Cai, Xiaodong

    2014-05-01

    Pathway-based genome-wide association studies (GWAS) can exploit collective effects of causal variants in a pathway to increase power of detection. However, current methods for pathway-based GWAS do not consider epistatic effects of genetic variants, although interactions between genetic variants may play an important role in influencing complex traits. In this paper, we employed a Bayesian Lasso logistic regression model for pathway-based GWAS to include all possible main effects and a large number of pairwise interactions of single nucleotide polymorphisms (SNPs) in a pathway, and then inferred the model with an efficient group empirical Bayesian Lasso (EBLasso) method. Using the inferred model, the statistical significance of a pathway was tested with the Wald statistics. Reliable effects in a significant pathway were selected using the stability selection technique. Extensive computer simulations demonstrated that our group EBlasso method significantly outperformed two competitive methods in most simulation setups and offered similar performance in other simulation setups. When applying to a GWAS dataset for Parkinson disease, EBLasso identified three significant pathways including the primary bile acid biosynthesis pathway, the neuroactive ligand-receptor interaction, and the MAPK signaling pathway. All effects identified in the primary bile acid biosynthesis pathway and many of effects in the other two pathways were epistatic effects. The group EBLasso method provides a valuable tool for pathway-based GWAS to identify main and epistatic effects of genetic variants.

  17. Lectin-Glycan Interaction Network-Based Identification of Host Receptors of Microbial Pathogenic Adhesins

    PubMed Central

    Ielasi, Francesco S.; Alioscha-Perez, Mitchel; Donohue, Dagmara; Claes, Sandra; Sahli, Hichem; Schols, Dominique

    2016-01-01

    ABSTRACT The first step in the infection of humans by microbial pathogens is their adherence to host tissue cells, which is frequently based on the binding of carbohydrate-binding proteins (lectin-like adhesins) to human cell receptors that expose glycans. In only a few cases have the human receptors of pathogenic adhesins been described. A novel strategy—based on the construction of a lectin-glycan interaction (LGI) network—to identify the potential human binding receptors for pathogenic adhesins with lectin activity was developed. The new approach is based on linking glycan array screening results of these adhesins to a human glycoprotein database via the construction of an LGI network. This strategy was used to detect human receptors for virulent Escherichia coli (FimH adhesin), and the fungal pathogens Candida albicans (Als1p and Als3p adhesins) and C. glabrata (Epa1, Epa6, and Epa7 adhesins), which cause candidiasis. This LGI network strategy allows the profiling of potential adhesin binding receptors in the host with prioritization, based on experimental binding data, of the most relevant interactions. New potential targets for the selected adhesins were predicted and experimentally confirmed. This methodology was also used to predict lectin interactions with envelope glycoproteins of human-pathogenic viruses. It was shown that this strategy was successful in revealing that the FimH adhesin has anti-HIV activity. PMID:27406561

  18. Sequence-specific DNA interactions with calixarene-based langmuir monolayers.

    PubMed

    Rullaud, Vanessa; Moridi, Negar; Shahgaldian, Patrick

    2014-07-29

    The interactions of an amphiphilic calixarene, namely p-guanidino-dodecyloxy-calix[4]arene, 1, self-assembled as Langmuir monolayers, with short double stranded DNA, were investigated by surface pressure-area (π-A) isotherms, surface ellipsometry and Brewster angle microscopy (BAM). Three DNA 30mers were used as models, poly(AT), poly(GC) and a random DNA sequence with 50% of G:C base pairs. The interactions of these model DNA duplexes with 1-based Langmuir monolayers were studied by measuring compression isotherms using increasing DNA concentrations (10(-6), 10(-5), 10(-4), and 5 × 10(-4) g L(-1)) in the aqueous subphase. The isotherms of 1 showed an expansion of the monolayer with, interestingly, significant differences depending on the duplex DNA sequence studied. Indeed, the interactions of 1-based monolayers with poly(AT) led to an expansion of the monolayer that was significantly more pronounced that for monolayers on subphases of poly(GC) and the random DNA sequence. The structure and thickness of 1-based Langmuir monolayers were investigated by BAM and surface ellipsometry that showed differences in thickness and structure between a monolayer formed on pure water or on a DNA subphase, with here again relevant dissimilarities depending on the DNA composition.

  19. Teacher-student interaction: The overlooked dimension of inquiry-based professional development

    NASA Astrophysics Data System (ADS)

    de Oliveira, Alandeom Wanderlei

    This study explores the teacher-student interactional dimension of inquiry-based science instruction. In it, microethnographic and grounded theory analyses are conducted in order to assess the impact of a professional development program designed to enhance in-service elementary teachers' interactional views (i.e., their understandings of inquiry-based social roles and relationships) and discursive practices (i.e., teachers' abilities to interact with student engaged in classroom inquiries) through a combination of expert instruction, immersion in scientific inquiry, and collaborative analysis of video-recorded classroom discourse. A sociolinguistic theoretical perspective on language use is adopted, viewing classroom discourse as comprising multiple linguistic signs (questions, responses, personal pronouns, hedges, backchannels, reactive tokens, directives, figures of speech, parallel repetitions) that convey not only semantic meanings (the literal information being exchanged) but also pragmatic meanings (information about teachers and students' social roles and relationships). A grounded theory analysis of the professional development activities uncovered a gradual shift in teachers' interactional views from a cognitive, monofunctional and decontextualized perspective to a social, multifunctional and contextualized conception of inquiry-based discourse. Furthermore, teachers developed increased levels of pragmatic awareness, being able to recognize the authoritative interactional functions served by discursive moves such as display questions, cued elicitation, convergent questioning, verbal cloze, affirmation, explicit evaluations of students' responses, verbatim repetitions, IRE triplets, IR couplets, second-person pronouns, "I/you" contrastive pairs, and direct or impolite directives. A comparative microethnographic analysis of teachers' classroom practices revealed that after participating in the program teachers demonstrated an improved ability to share

  20. Commercial Motion Sensor Based Low-Cost and Convenient Interactive Treadmill †

    PubMed Central

    Kim, Jonghyun; Gravunder, Andrew; Park, Hyung-Soon

    2015-01-01

    Interactive treadmills were developed to improve the simulation of overground walking when compared to conventional treadmills. However, currently available interactive treadmills are expensive and inconvenient, which limits their use. We propose a low-cost and convenient version of the interactive treadmill that does not require expensive equipment and a complicated setup. As a substitute for high-cost sensors, such as motion capture systems, a low-cost motion sensor was used to recognize the subject’s intention for speed changing. Moreover, the sensor enables the subject to make a convenient and safe stop using gesture recognition. For further cost reduction, the novel interactive treadmill was based on an inexpensive treadmill platform and a novel high-level speed control scheme was applied to maximize performance for simulating overground walking. Pilot tests with ten healthy subjects were conducted and results demonstrated that the proposed treadmill achieves similar performance to a typical, costly, interactive treadmill that contains a motion capture system and an instrumented treadmill, while providing a convenient and safe method for stopping. PMID:26393592

  1. A physiologically based pharmacokinetic model linking plasma protein binding interactions with drug disposition.

    PubMed

    Buur, J L; Baynes, R E; Smith, G W; Riviere, J E

    2009-04-01

    Combination drug therapy increases the chance for an adverse drug reactions due to drug-drug interactions. Altered disposition for sulfamethazine (SMZ) when concurrently administered with flunixin meglumine (FLU) in swine could lead to increased tissue residues. There is a need for a pharmacokinetic modeling technique that can predict the consequences of possible drug interactions. A physiologically based pharmacokinetic model was developed that links plasma protein binding interactions to drug disposition for SMZ and FLU in swine. The model predicted a sustained decrease in total drug and a temporary increase in free drug concentration. An in vivo study confirmed the presence of a drug interaction. Neither the model nor the in vivo study revealed clinically significant changes that alter tissue disposition. This novel linkage approach has use in the prediction of the clinical impact of plasma protein binding interactions. Ultimately it could be used in the design of dosing regimens and in the protection of the food supply through prediction and minimization of tissue residues. PMID:18721993

  2. ESI-MS Characterization of a Novel Pyrrole-Inosine Nucleoside that Interacts with Guanine Bases

    PubMed Central

    Pierce, Sarah E.; Sherman, Courtney L.; Jayawickramarajah, Janarthanan; Lawrence, Candace M.; Sessler, Jonathan L.; Brodbelt, Jennifer S.

    2008-01-01

    Based on binding studies undertaken by electrospray ionization-mass spectrometry, a synthetic pyrrole-inosine nucleoside, 1, capable of forming an extended three-point Hoogsteen-type hydrogen-bonding interaction with guanine, is shown to form specific complexes with two different quadruplex DNA structures [dTG4T]4 and d(T2G4)4 as well as guanine rich duplex DNA. The binding interactions of two other analogs were evaluated in order to unravel the structural features that contribute to specific DNA recognition. The importance of the Hoogsteen interactions was confirmed through the absence of specific binding when the pyrrole NH hydrogen-bonding site was blocked or removed. While 2, with a large blocking group, was not found to interact with virtually any form of DNA, 3, with the pyrrole functionality missing, was found to interact non-specifically with several types of DNA. The specific binding of 1 to guanine rich DNA emphasizes the necessity of careful ligand design for specific sequence recognition. PMID:18790136

  3. An ELISA Based Binding and Competition Method to Rapidly Determine Ligand-receptor Interactions.

    PubMed

    Syedbasha, Mohameedyaseen; Linnik, Janina; Santer, Deanna; O'Shea, Daire; Barakat, Khaled; Joyce, Michael; Khanna, Nina; Tyrrell, D Lorne; Houghton, Michael; Egli, Adrian

    2016-01-01

    A comprehensive understanding of signaling pathways requires detailed knowledge regarding ligand-receptor interaction. This article describes two fast and reliable point-by-point protocols of enzyme-linked immunosorbent assays (ELISAs) for the investigation of ligand-receptor interactions: the direct ligand-receptor interaction assay (LRA) and the competition LRA. As a case study, the ELISA based analysis of the interaction between different lambda interferons (IFNLs) and the alpha subunit of their receptor (IL28RA) is presented: the direct LRA is used for the determination of dissociation constants (KD values) between receptor and IFN ligands, and the competition LRA for the determination of the inhibitory capacity of an oligopeptide, which was designed to compete with the IFNLs at their receptor binding site. Analytical steps to estimate KD and half maximal inhibitory concentration (IC50) values are described. Finally, the discussion highlights advantages and disadvantages of the presented method and how the results enable a better molecular understanding of ligand-receptor interactions.

  4. Sensorless Interaction Force Control Based on B-Spline Function for Human-Robot Systems

    NASA Astrophysics Data System (ADS)

    Mitsantisuk, Chowarit; Katsura, Seiichiro; Ohishi, Kiyoshi

    In this paper, to provide precise force sensation of human operator, a twin direct-drive motor system with wire rope mechanism has been developed. The human-robot interaction force and the wire rope tension are independently controlled in acceleration dimension by realizing the dual disturbance observer based on modal space design. In the common mode, it is utilized for control of vibration suppression and wire rope tension. In the differential mode, the purity of human external force with compensation of friction force is obtained. This mode is useful for control of the interaction force of human. Furthermore, the human-robot system that has the ability of support of human interaction force is also proposed. The interaction force generation based on B-spline function is applied to automatically adjust the smooth force command corresponding to the adaptive parameters.
    To analyze the human movement stroke, the multi-sensor scheme is applied to fuse both two motor encoders and acceleration sensor signal by using Kalman filter. From the experimental results, the ability to design different level of assistive force makes it well suited to customized training programs due to time and human movement constraints.

  5. A Course-based Cross-Cultural Interaction among Pharmacy Students in Qatar and Canada

    PubMed Central

    Taylor, Jeff; Khalifa, Sherief I.; Jorgenson, Derek

    2015-01-01

    Objective. To develop, implement, and evaluate a course-based, cross-cultural student interaction using real-time videoconferencing between universities in Canada and Qatar. Design. A professional skills simulation practice session on smoking cessation was run for students in Qatar (n=22) and Canada (n=22). Students role played cases in small group situations and then interacted with colleagues from the other country regarding culturally challenging situations and communication strategies. Assessment. Students were assessed on analytical content and communication skills through faculty member and peer evaluation. Cultural competency outcomes were assessed using a postsession survey. Overall, 92.3% of respondents agreed that learning was enhanced through the cross-cultural exchange, and 94.9% agreed that insight was gained into the health-related issues and needs of people from another culture. Conclusion. A course-based, cross-cultural interaction was an effective method to incorporate cultural competency principles into student learning. Future initiatives should increase direct student interaction and focus on culturally sensitive topics. PMID:25861107

  6. A multiple-responsive self-healing supramolecular polymer gel network based on multiple orthogonal interactions.

    PubMed

    Zhan, Jiayi; Zhang, Mingming; Zhou, Mi; Liu, Bin; Chen, Dong; Liu, Yuanyuan; Chen, Qianqian; Qiu, Huayu; Yin, Shouchun

    2014-08-01

    Supramolecular polymer networks have attracted considerable attention not only due to their topological importance but also because they can show some fantastic properties such as stimuli-responsiveness and self-healing. Although various supramolecular networks are constructed by supramolecular chemists based on different non-covalent interactions, supramolecular polymer networks based on multiple orthogonal interactions are still rare. Here, a supramolecular polymer network is presented on the basis of the host-guest interactions between dibenzo-24-crown-8 (DB24C8) and dibenzylammonium salts (DBAS), the metal-ligand coordination interactions between terpyridine and Zn(OTf)2 , and between 1,2,3-triazole and PdCl2 (PhCN)2 . The topology of the networks can be easily tuned from monomer to main-chain supramolecular polymer and then to the supramolecular networks. This process is well studied by various characterization methods such as (1) H NMR, UV-vis, DOSY, viscosity, and rheological measurements. More importantly, a supramolecular gel is obtained at high concentrations of the supramolecular networks, which demonstrates both stimuli-responsiveness and self-healing properties. PMID:24943122

  7. Mean-field interactions between nucleic-acid-base dipoles can drive the formation of the double helix

    PubMed Central

    He, Yi; Maciejczyk, Maciej; Ołdziej, Stanisław; Scheraga, Harold A.; Liwo, Adam

    2013-01-01

    A proposed coarse-grained model of nucleic acids demonstrates that average interactions between base dipoles, together with chain connectivity and excluded-volume interactions, are sufficient to form double-helical structures of DNA and RNA molecules. Additionally, local interactions determine helix handedness and direction of strand packing. This result, and earlier research on reduced protein models, suggest that mean-field multipole-multipole interactions are the principal factors responsible for the formation of regular structure of biomolecules. PMID:23496746

  8. Architecture effects on multivalent interactions by polypeptide-based multivalent ligands

    NASA Astrophysics Data System (ADS)

    Liu, Shuang

    Multivalent interactions are characterized by the simultaneous binding between multiple ligands and multiple binding sites, either in solutions or at interfaces. In biological systems, most multivalent interactions occur between protein receptors and carbohydrate ligands through hydrogen-bonding and hydrophobic interactions. Compared with weak affinity binding between one ligand and one binding site, i.e. monovalent interaction, multivalent interactioins provide greater avidity and specificity, and therefore play unique roles in a broad range of biological activities. Moreover, the studies of multivalent interactions are also essential for producing effective inhibitors and effectors of biological processes that could have important therapeutic applications. Synthetic multivalent ligands have been designed to mimic the biological functions of natural multivalent interactions, and various types of scaffolds have been used to display multiple ligands, including small molecules, linear polymers, dendrimers, nanoparticle surfaces, monolayer surfaces and liposomes. Studies have shown that multivalent interactions can be highly affected by various architectural parameters of these multivalent ligands, including ligand identities, valencies, spacing, ligand densities, nature of linker arms, scaffold length and scaffold conformation. Most of these multivalent ligands are chemically synthesized and have limitations of controlling over sequence and conformation, which is a barrier for mimicking ordered and controlled natural biological systems. Therefore, multivalent ligands with precisely controlled architecture are required for improved structure-function relationship studies. Protein engineering methods with subsequent chemical coupling of ligands provide significant advantages of controlling over backbone conformation and functional group placement, and therefore have been used to synthesize recombinant protein-based materials with desired properties similar to natural

  9. A quantum mechanics-based halogen bonding scoring function for protein-ligand interactions.

    PubMed

    Yang, Zhuo; Liu, Yingtao; Chen, Zhaoqiang; Xu, Zhijian; Shi, Jiye; Chen, Kaixian; Zhu, Weiliang

    2015-06-01

    A quantum mechanics-based scoring function for halogen bonding interaction, namely XBScore(QM), is developed based on 18,135 sets of geometrical and energetical parameters optimized at M06-2X/aug-cc-pVDZ level. Applying the function on typical halogen bonding systems from Protein Data Bank demonstrates its strong ability of predicting halogen bonding as attractive interaction with strength up to -4 kcal mol(-1). With a diverse set of proteins complexed with halogenated ligands, a systematic evaluation demonstrates the integrative advantage of XBScore(QM) over 12 other scoring functions on halogen bonding in four aspects, viz. pseudo docking power, ranking power, scoring power, and genuine docking power. Thus, this study not only provides a practicable scoring function of halogen bonding for high throughput virtual screening, but also serves as a benchmark for evaluating the performance of current scoring functions on characterizing halogen bonding.

  10. The Atlas of Physiology and Pathophysiology: Web-based multimedia enabled interactive simulations.

    PubMed

    Kofranek, Jiri; Matousek, Stanislav; Rusz, Jan; Stodulka, Petr; Privitzer, Pavol; Matejak, Marek; Tribula, Martin

    2011-11-01

    The paper is a presentation of the current state of development for the Atlas of Physiology and Pathophysiology (Atlas). Our main aim is to provide a novel interactive multimedia application that can be used for biomedical education where (a) simulations are combined with tutorials and (b) the presentation layer is simplified while the underlying complexity of the model is retained. The development of the Atlas required the cooperation of many professionals including teachers, system analysts, artists, and programmers. During the design of the Atlas, tools were developed that allow for component-based creation of simulation models, creation of interactive multimedia and their final coordination into a compact unit based on the given design. The Atlas is a freely available online application, which can help to explain the function of individual physiological systems and the causes and symptoms of their disorders.

  11. Synthesis of bio-based aldehyde from seaweed polysaccharide and its interaction with bovine serum albumin.

    PubMed

    Kholiya, Faisal; Chaudhary, Jai Prakash; Vadodariya, Nilesh; Meena, Ramavatar

    2016-10-01

    Here, we demonstrate a successful synthesis of bio-based aldehyde namely dialdehyde-carboxymethylagarose (DCMA) using carboxymethyagarose (CMA). Further reaction parameters (i.e. reaction temperature, pH and periodate concentration) were optimized to achieve maximum aldehyde content and product yield. The synthesis of DCMA was confirmed by employing FTIR, (1)H NMR, XRD, SEM, AFM, TGA, DSC, EA and GPC techniques. To investigate the aldehyde functionality, DCMA was allowed to interact with BSA and obtained results were found to be comparable with that of synthetic aldehyde (Formaldehyde). Further interaction of DCMA with BSA was confirmed by using UV-vis, FTIR, fluorescent spectroscopy, CD and DLS analysis. Results of this study revealed that bio-based aldehyde behaves like formaldehyde. This study adds value to abundant marine biopolymers and opens the new research area for polymer researchers. PMID:27312639

  12. 1Click1View: Interactive Visualization Methodology for RNAi Cell-Based Microscopic Screening

    PubMed Central

    Zwolinski, Lukasz; Kozak, Marta; Kozak, Karol

    2013-01-01

    Technological advancements are constantly increasing the size and complexity of data resulting from large-scale RNA interference screens. This fact has led biologists to ask complex questions, which the existing, fully automated analyses are often not adequate to answer. We present a concept of 1Click1View (1C1V) as a methodology for interactive analytic software tools. 1C1V can be applied for two-dimensional visualization of image-based screening data sets from High Content Screening (HCS). Through an easy-to-use interface, one-click, one-view concept, and workflow based architecture, visualization method facilitates the linking of image data with numeric data. Such method utilizes state-of-the-art interactive visualization tools optimized for fast visualization of large scale image data sets. We demonstrate our method on an HCS dataset consisting of multiple cell features from two screening assays. PMID:23484084

  13. Mass spectrometry-based metabolomics, analysis of metabolite-protein interactions, and imaging.

    PubMed

    Lee, Do Yup; Bowen, Benjamin P; Northen, Trent R

    2010-08-01

    Our understanding of biology has been greatly improved through recent developments in mass spectrometry, which is providing detailed information on protein and metabolite composition as well as protein-metabolite interactions. The high sensitivity and resolution of mass spectrometry achieved with liquid or gas chromatography allows for detection and quantification of hundreds to thousands of molecules in a single measurement. Where homogenization-based sample preparation and extraction methods result in a loss of spatial information, mass spectrometry imaging technologies provide the in situ distribution profiles of metabolites and proteins within tissues. Mass spectrometry-based analysis of metabolite abundance, protein-metabolite interactions, and spatial distribution of compounds facilitates the high-throughput screening of biochemical reactions, the reconstruction of metabolic networks, biomarker discovery, determination of tissue compositions, and functional annotation of both proteins and metabolites.

  14. Mass spectrometry–based metabolomics, analysis of metabolite-protein interactions, and imaging

    PubMed Central

    Lee, Do Yup; Bowen, Benjamin P.; Northen, Trent R.

    2010-01-01

    Our understanding of biology has been greatly improved through recent developments in mass spectrometry, which is providing detailed information on protein and metabolite composition as well as protein-metabolite interactions. The high sensitivity and resolution of mass spectrometry achieved with liquid or gas chromatography allows for detection and quantification of hundreds to thousands of molecules in a single measurement. Where homogenization-based sample preparation and extraction methods result in a loss of spatial information, mass spectrometry imaging technologies provide the in situ distribution profiles of metabolites and proteins within tissues. Mass spectrometry–based analysis of metabolite abundance, protein-metabolite interactions, and spatial distribution of compounds facilitates the high-throughput screening of biochemical reactions, the reconstruction of metabolic networks, biomarker discovery, determination of tissue compositions, and functional annotation of both proteins and metabolites. PMID:20701590

  15. Histidine-Based Lipopeptides Enhance Cleavage of Nucleic Acids: Interactions with DNA and Hydrolytic Properties.

    PubMed

    Bélières, M; Déjugnat, C; Chouini-Lalanne, N

    2015-12-16

    Interaction studies and cleavage activity experiments were carried out between plasmid DNA and a series of histidine-based lipopeptides. Specific fluorescent probes (ethidium bromide, Hoechst 33342, and pyrene) were used to monitor intercalation, minor groove binding, and self-assembly of lipopeptides, respectively. Association between DNA and lipopeptides was thus evidenced, highlighting the importance of both histidine and hydrophobic tail in the interaction process. DNA cleavage in the presence of lipopeptides was then detected by gel electrophoresis and quantified, showing the importance of histidine and the involvement of its side-chain imidazole in the hydrolysis mechanism. These systems could then be developed as synthetic nucleases while raising concern of introducing histidine in the design of lipopeptide-based transfection vectors.

  16. Development of interactive patient-based multimedia computer programs in veterinary orthopedic radiology.

    PubMed

    Kraft, S L; Hoskinson, J J; Mussman, J M; Michaels, W E; McLaughlin, R; Gaughan, E M; Roush, J K

    1998-01-01

    Three computerized multimedia programs on large and small animal veterinary orthopedic radiology were developed and implemented for the radiology curriculum as an alternative to traditional film-based laboratory learning. Programs utilized "hot words" (colored text words that displayed an overlaid image label that highlighted lesions) and interactive quizzes which responded appropriately to selected answers. "Hot words" helped students develop confidence in accurate lesion detection and the interactive quizzes transformed learning from a passive to an active process. Multiple examples were provided for reinforcement and concepts were incorporated from other clinical disciplines for curriculum integration. Programs were written using a presentation software program, Toolbook for DOS based platform, and contained radiographic images made by laser-scanning digitization. Multiple students could simultaneously access the programs through a network server. These pilot programs were implemented successfully and computerized multimedia presentation proved to be well suited to teaching radiology. Development of the programs required attention to a number of hardware, software, time and cost factors.

  17. 1Click1View: interactive visualization methodology for RNAi cell-based microscopic screening.

    PubMed

    Zwolinski, Lukasz; Kozak, Marta; Kozak, Karol

    2013-01-01

    Technological advancements are constantly increasing the size and complexity of data resulting from large-scale RNA interference screens. This fact has led biologists to ask complex questions, which the existing, fully automated analyses are often not adequate to answer. We present a concept of 1Click1View (1C1V) as a methodology for interactive analytic software tools. 1C1V can be applied for two-dimensional visualization of image-based screening data sets from High Content Screening (HCS). Through an easy-to-use interface, one-click, one-view concept, and workflow based architecture, visualization method facilitates the linking of image data with numeric data. Such method utilizes state-of-the-art interactive visualization tools optimized for fast visualization of large scale image data sets. We demonstrate our method on an HCS dataset consisting of multiple cell features from two screening assays.

  18. Interaction of preosteoblasts with surface-immobilized collagen-based nanotubes.

    PubMed

    Kalaskar, Deepak M; Demoustier-Champagne, Sophie; Dupont-Gillain, Christine C

    2013-11-01

    In a previous work, we demonstrated the successful use of electrophoretic deposition (EPD) to immobilize collagen-based nanotubes onto indium-tin-oxide-coated glass (ITO glass), leading to the creation of biointerfaces with protein-based chemistry and topography [1]. In this work, we present a first study of preosteoblasts behavior in contact with surface-immobilized collagen-based nanotubes. Changes in cell morphology after their interaction with ITO glass modified with collagen-based nanotubes were studied using fluorescence microscopy and compared to those observed on virgin ITO glass as well as on ITO glass on which a collagen layer was simply adsorbed. Scanning electron microscopy (SEM) was used to study interactions of cell filopodias with the deposited nanotubes. Cytotoxicity of these biointerfaces was examined as well in short term cultures, using Alamar blue assay. Cells showed particular morphologies on ITO glass coated with nanotubes compared to virgin ITO glass or collagen adsorbed layer on ITO glass. High resolution SEM images suggest that apart from cell morphology, length and thickness of filopodias seem to be significantly affected by surface modification with collagen-based nanotubes. Moreover, nanotube-coated ITO glass did not show any obvious cytotoxicity in short term culture, opening new perspectives for the surface modification of biomaterials. We show the versatility of the proposed surface modification procedure by tailoring biointerfaces with a mixture of micro- and nanometer-scale collagen-based tubes.

  19. A computational approach for the annotation of hydrogen-bonded base interactions in crystallographic structures of the ribozymes

    NASA Astrophysics Data System (ADS)

    Hamdani, Hazrina Yusof; Artymiuk, Peter J.; Firdaus-Raih, Mohd

    2015-09-01

    A fundamental understanding of the atomic level interactions in ribonucleic acid (RNA) and how they contribute towards RNA architecture is an important knowledge platform to develop through the discovery of motifs from simple arrangements base pairs, to more complex arrangements such as triples and larger patterns involving non-standard interactions. The network of hydrogen bond interactions is important in connecting bases to form potential tertiary motifs. Therefore, there is an urgent need for the development of automated methods for annotating RNA 3D structures based on hydrogen bond interactions. COnnection tables Graphs for Nucleic ACids (COGNAC) is automated annotation system using graph theoretical approaches that has been developed for the identification of RNA 3D motifs. This program searches for patterns in the unbroken networks of hydrogen bonds for RNA structures and capable of annotating base pairs and higher-order base interactions, which ranges from triples to sextuples. COGNAC was able to discover 22 out of 32 quadruples occurrences of the Haloarcula marismortui large ribosomal subunit (PDB ID: 1FFK) and two out of three occurrences of quintuple interaction reported by the non-canonical interactions in RNA (NCIR) database. These and several other interactions of interest will be discussed in this paper. These examples demonstrate that the COGNAC program can serve as an automated annotation system that can be used to annotate conserved base-base interactions and could be added as additional information to established RNA secondary structure prediction methods.

  20. A computational approach for the annotation of hydrogen-bonded base interactions in crystallographic structures of the ribozymes

    SciTech Connect

    Hamdani, Hazrina Yusof; Artymiuk, Peter J.; Firdaus-Raih, Mohd

    2015-09-25

    A fundamental understanding of the atomic level interactions in ribonucleic acid (RNA) and how they contribute towards RNA architecture is an important knowledge platform to develop through the discovery of motifs from simple arrangements base pairs, to more complex arrangements such as triples and larger patterns involving non-standard interactions. The network of hydrogen bond interactions is important in connecting bases to form potential tertiary motifs. Therefore, there is an urgent need for the development of automated methods for annotating RNA 3D structures based on hydrogen bond interactions. COnnection tables Graphs for Nucleic ACids (COGNAC) is automated annotation system using graph theoretical approaches that has been developed for the identification of RNA 3D motifs. This program searches for patterns in the unbroken networks of hydrogen bonds for RNA structures and capable of annotating base pairs and higher-order base interactions, which ranges from triples to sextuples. COGNAC was able to discover 22 out of 32 quadruples occurrences of the Haloarcula marismortui large ribosomal subunit (PDB ID: 1FFK) and two out of three occurrences of quintuple interaction reported by the non-canonical interactions in RNA (NCIR) database. These and several other interactions of interest will be discussed in this paper. These examples demonstrate that the COGNAC program can serve as an automated annotation system that can be used to annotate conserved base-base interactions and could be added as additional information to established RNA secondary structure prediction methods.

  1. Powerful Set-Based Gene-Environment Interaction Testing Framework for Complex Diseases.

    PubMed

    Jiao, Shuo; Peters, Ulrike; Berndt, Sonja; Bézieau, Stéphane; Brenner, Hermann; Campbell, Peter T; Chan, Andrew T; Chang-Claude, Jenny; Lemire, Mathieu; Newcomb, Polly A; Potter, John D; Slattery, Martha L; Woods, Michael O; Hsu, Li

    2015-12-01

    Identification of gene-environment interaction (G × E) is important in understanding the etiology of complex diseases. Based on our previously developed Set Based gene EnviRonment InterAction test (SBERIA), in this paper we propose a powerful framework for enhanced set-based G × E testing (eSBERIA). The major challenge of signal aggregation within a set is how to tell signals from noise. eSBERIA tackles this challenge by adaptively aggregating the interaction signals within a set weighted by the strength of the marginal and correlation screening signals. eSBERIA then combines the screening-informed aggregate test with a variance component test to account for the residual signals. Additionally, we develop a case-only extension for eSBERIA (coSBERIA) and an existing set-based method, which boosts the power not only by exploiting the G-E independence assumption but also by avoiding the need to specify main effects for a large number of variants in the set. Through extensive simulation, we show that coSBERIA and eSBERIA are considerably more powerful than existing methods within the case-only and the case-control method categories across a wide range of scenarios. We conduct a genome-wide G × E search by applying our methods to Illumina HumanExome Beadchip data of 10,446 colorectal cancer cases and 10,191 controls and identify two novel interactions between nonsteroidal anti-inflammatory drugs (NSAIDs) and MINK1 and PTCHD3.

  2. Powerful Set-Based Gene-Environment Interaction Testing Framework for Complex Diseases.

    PubMed

    Jiao, Shuo; Peters, Ulrike; Berndt, Sonja; Bézieau, Stéphane; Brenner, Hermann; Campbell, Peter T; Chan, Andrew T; Chang-Claude, Jenny; Lemire, Mathieu; Newcomb, Polly A; Potter, John D; Slattery, Martha L; Woods, Michael O; Hsu, Li

    2015-12-01

    Identification of gene-environment interaction (G × E) is important in understanding the etiology of complex diseases. Based on our previously developed Set Based gene EnviRonment InterAction test (SBERIA), in this paper we propose a powerful framework for enhanced set-based G × E testing (eSBERIA). The major challenge of signal aggregation within a set is how to tell signals from noise. eSBERIA tackles this challenge by adaptively aggregating the interaction signals within a set weighted by the strength of the marginal and correlation screening signals. eSBERIA then combines the screening-informed aggregate test with a variance component test to account for the residual signals. Additionally, we develop a case-only extension for eSBERIA (coSBERIA) and an existing set-based method, which boosts the power not only by exploiting the G-E independence assumption but also by avoiding the need to specify main effects for a large number of variants in the set. Through extensive simulation, we show that coSBERIA and eSBERIA are considerably more powerful than existing methods within the case-only and the case-control method categories across a wide range of scenarios. We conduct a genome-wide G × E search by applying our methods to Illumina HumanExome Beadchip data of 10,446 colorectal cancer cases and 10,191 controls and identify two novel interactions between nonsteroidal anti-inflammatory drugs (NSAIDs) and MINK1 and PTCHD3. PMID:26095235

  3. Model-based video segmentation for vision-augmented interactive games

    NASA Astrophysics Data System (ADS)

    Liu, Lurng-Kuo

    2000-04-01

    This paper presents an architecture and algorithms for model based video object segmentation and its applications to vision augmented interactive game. We are especially interested in real time low cost vision based applications that can be implemented in software in a PC. We use different models for background and a player object. The object segmentation algorithm is performed in two different levels: pixel level and object level. At pixel level, the segmentation algorithm is formulated as a maximizing a posteriori probability (MAP) problem. The statistical likelihood of each pixel is calculated and used in the MAP problem. Object level segmentation is used to improve segmentation quality by utilizing the information about the spatial and temporal extent of the object. The concept of an active region, which is defined based on motion histogram and trajectory prediction, is introduced to indicate the possibility of a video object region for both background and foreground modeling. It also reduces the overall computation complexity. In contrast with other applications, the proposed video object segmentation system is able to create background and foreground models on the fly even without introductory background frames. Furthermore, we apply different rate of self-tuning on the scene model so that the system can adapt to the environment when there is a scene change. We applied the proposed video object segmentation algorithms to several prototype virtual interactive games. In our prototype vision augmented interactive games, a player can immerse himself/herself inside a game and can virtually interact with other animated characters in a real time manner without being constrained by helmets, gloves, special sensing devices, or background environment. The potential applications of the proposed algorithms including human computer gesture interface and object based video coding such as MPEG-4 video coding.

  4. Self-healing supramolecular gels formed by crown ether based host-guest interactions.

    PubMed

    Zhang, Mingming; Xu, Donghua; Yan, Xuzhou; Chen, Jianzhuang; Dong, Shengyi; Zheng, Bo; Huang, Feihe

    2012-07-01

    Automatic repair: a polymer with pendent dibenzo[24]crown-8 units (purple in picture) was cross-linked by two bisammonium salts (green) to form two supramolecular gels based on host-guest interactions. These two gels are stimuli-responsive materials that respond to changes of the pH value and are also self-healing materials, as can be seen by eye and as evidenced by rheological data.

  5. Coulometric Study of the Ubiquinone,0 Interaction with Nucleic Acid Bases

    NASA Astrophysics Data System (ADS)

    Shanshal, Muthana; Al-Ani, Wathah G. M.

    2005-12-01

    The change in the number of reduction electrons of ubiquinone,0 (7.5・10-6 mol/l) due to the presence of nucleosides or nucleic acid bases is measured coulometrically. The number of the reduction electrons varies from 2 - 1.72. The results are explained in terms of molecular interactions present between the two components of the mixture even at low concentrations.

  6. Self-healing supramolecular gels formed by crown ether based host-guest interactions.

    PubMed

    Zhang, Mingming; Xu, Donghua; Yan, Xuzhou; Chen, Jianzhuang; Dong, Shengyi; Zheng, Bo; Huang, Feihe

    2012-07-01

    Automatic repair: a polymer with pendent dibenzo[24]crown-8 units (purple in picture) was cross-linked by two bisammonium salts (green) to form two supramolecular gels based on host-guest interactions. These two gels are stimuli-responsive materials that respond to changes of the pH value and are also self-healing materials, as can be seen by eye and as evidenced by rheological data. PMID:22653895

  7. Protein Adsorption Switch Constructed by a Pillar[5]arene-Based Host-Guest Interaction.

    PubMed

    Xiao, Xuan; Nie, Guanrong; Zhang, Xiaoyan; Tian, Demei; Li, Haibing

    2016-01-18

    The interfacial properties of solid substrates are of importance for protein adsorption. Herein, we report a reversible protein adsorption switch based on the host-guest interaction of the butoxy pillar[5]arene and adipic acid. By the detector of the contact angle (CA), atomic force microscopy (AFM), and luminoscope on the silicon substrate, the intelligent protein switch exhibits excellent adsorptivity for BSA and switch performance by pH regulation.

  8. How biologically relevant are interaction-based modules in protein networks?

    PubMed Central

    Poyatos, Juan F; Hurst, Laurence D

    2004-01-01

    By applying a graph-based algorithm to yeast protein-interaction networks we have extracted modular structures and show that they can be validated using information from the phylogenetic conservation of the network components. We show that the module cores, the parts with the highest intramodular connectivity, are biologically relevant components of the networks. These constituents correlate only weakly with other levels of organization. We also discuss how such structures could be used for finding targets for antimicrobial drugs. PMID:15535869

  9. Epistatic Gene-Based Interaction Analyses for Glaucoma in eMERGE and NEIGHBOR Consortium.

    PubMed

    Verma, Shefali Setia; Cooke Bailey, Jessica N; Lucas, Anastasia; Bradford, Yuki; Linneman, James G; Hauser, Michael A; Pasquale, Louis R; Peissig, Peggy L; Brilliant, Murray H; McCarty, Catherine A; Haines, Jonathan L; Wiggs, Janey L; Vrabec, Tamara R; Tromp, Gerard; Ritchie, Marylyn D

    2016-09-01

    Primary open angle glaucoma (POAG) is a complex disease and is one of the major leading causes of blindness worldwide. Genome-wide association studies have successfully identified several common variants associated with glaucoma; however, most of these variants only explain a small proportion of the genetic risk. Apart from the standard approach to identify main effects of variants across the genome, it is believed that gene-gene interactions can help elucidate part of the missing heritability by allowing for the test of interactions between genetic variants to mimic the complex nature of biology. To explain the etiology of glaucoma, we first performed a genome-wide association study (GWAS) on glaucoma case-control samples obtained from electronic medical records (EMR) to establish the utility of EMR data in detecting non-spurious and relevant associations; this analysis was aimed at confirming already known associations with glaucoma and validating the EMR derived glaucoma phenotype. Our findings from GWAS suggest consistent evidence of several known associations in POAG. We then performed an interaction analysis for variants found to be marginally associated with glaucoma (SNPs with main effect p-value <0.01) and observed interesting findings in the electronic MEdical Records and GEnomics Network (eMERGE) network dataset. Genes from the top epistatic interactions from eMERGE data (Likelihood Ratio Test i.e. LRT p-value <1e-05) were then tested for replication in the NEIGHBOR consortium dataset. To replicate our findings, we performed a gene-based SNP-SNP interaction analysis in NEIGHBOR and observed significant gene-gene interactions (p-value <0.001) among the top 17 gene-gene models identified in the discovery phase. Variants from gene-gene interaction analysis that we found to be associated with POAG explain 3.5% of additional genetic variance in eMERGE dataset above what is explained by the SNPs in genes that are replicated from previous GWAS studies (which

  10. Epistatic Gene-Based Interaction Analyses for Glaucoma in eMERGE and NEIGHBOR Consortium.

    PubMed

    Verma, Shefali Setia; Cooke Bailey, Jessica N; Lucas, Anastasia; Bradford, Yuki; Linneman, James G; Hauser, Michael A; Pasquale, Louis R; Peissig, Peggy L; Brilliant, Murray H; McCarty, Catherine A; Haines, Jonathan L; Wiggs, Janey L; Vrabec, Tamara R; Tromp, Gerard; Ritchie, Marylyn D

    2016-09-01

    Primary open angle glaucoma (POAG) is a complex disease and is one of the major leading causes of blindness worldwide. Genome-wide association studies have successfully identified several common variants associated with glaucoma; however, most of these variants only explain a small proportion of the genetic risk. Apart from the standard approach to identify main effects of variants across the genome, it is believed that gene-gene interactions can help elucidate part of the missing heritability by allowing for the test of interactions between genetic variants to mimic the complex nature of biology. To explain the etiology of glaucoma, we first performed a genome-wide association study (GWAS) on glaucoma case-control samples obtained from electronic medical records (EMR) to establish the utility of EMR data in detecting non-spurious and relevant associations; this analysis was aimed at confirming already known associations with glaucoma and validating the EMR derived glaucoma phenotype. Our findings from GWAS suggest consistent evidence of several known associations in POAG. We then performed an interaction analysis for variants found to be marginally associated with glaucoma (SNPs with main effect p-value <0.01) and observed interesting findings in the electronic MEdical Records and GEnomics Network (eMERGE) network dataset. Genes from the top epistatic interactions from eMERGE data (Likelihood Ratio Test i.e. LRT p-value <1e-05) were then tested for replication in the NEIGHBOR consortium dataset. To replicate our findings, we performed a gene-based SNP-SNP interaction analysis in NEIGHBOR and observed significant gene-gene interactions (p-value <0.001) among the top 17 gene-gene models identified in the discovery phase. Variants from gene-gene interaction analysis that we found to be associated with POAG explain 3.5% of additional genetic variance in eMERGE dataset above what is explained by the SNPs in genes that are replicated from previous GWAS studies (which

  11. Epistatic Gene-Based Interaction Analyses for Glaucoma in eMERGE and NEIGHBOR Consortium

    PubMed Central

    Verma, Shefali Setia; Lucas, Anastasia; Bradford, Yuki; Linneman, James G.; Hauser, Michael A.; Pasquale, Louis R.; Peissig, Peggy L.; Brilliant, Murray H.; McCarty, Catherine A.; Haines, Jonathan L.; Wiggs, Janey L.; Vrabec, Tamara R.; Ritchie, Marylyn D.

    2016-01-01

    Primary open angle glaucoma (POAG) is a complex disease and is one of the major leading causes of blindness worldwide. Genome-wide association studies have successfully identified several common variants associated with glaucoma; however, most of these variants only explain a small proportion of the genetic risk. Apart from the standard approach to identify main effects of variants across the genome, it is believed that gene-gene interactions can help elucidate part of the missing heritability by allowing for the test of interactions between genetic variants to mimic the complex nature of biology. To explain the etiology of glaucoma, we first performed a genome-wide association study (GWAS) on glaucoma case-control samples obtained from electronic medical records (EMR) to establish the utility of EMR data in detecting non-spurious and relevant associations; this analysis was aimed at confirming already known associations with glaucoma and validating the EMR derived glaucoma phenotype. Our findings from GWAS suggest consistent evidence of several known associations in POAG. We then performed an interaction analysis for variants found to be marginally associated with glaucoma (SNPs with main effect p-value <0.01) and observed interesting findings in the electronic MEdical Records and GEnomics Network (eMERGE) network dataset. Genes from the top epistatic interactions from eMERGE data (Likelihood Ratio Test i.e. LRT p-value <1e-05) were then tested for replication in the NEIGHBOR consortium dataset. To replicate our findings, we performed a gene-based SNP-SNP interaction analysis in NEIGHBOR and observed significant gene-gene interactions (p-value <0.001) among the top 17 gene-gene models identified in the discovery phase. Variants from gene-gene interaction analysis that we found to be associated with POAG explain 3.5% of additional genetic variance in eMERGE dataset above what is explained by the SNPs in genes that are replicated from previous GWAS studies (which

  12. An examination of social interaction profiles based on the factors measured by the screen for social interaction.

    PubMed

    Mahoney, Emery B; Breitborde, Nicholas J K; Leone, Sarah L; Ghuman, Jaswinder Kaur

    2014-10-01

    Deficits in the capacity to engage in social interactions are a core deficit associated with Autistic Disorder (AD) and Pervasive Developmental Disorder-Not Otherwise Specified (PDD-NOS). These deficits emerge at a young age, making screening for social interaction deficits and interventions targeted at improving capacity in this area important for early identification and intervention. Screening and early intervention efforts are particularly important given the poor short and long term outcomes for children with Autism Spectrum Disorders (ASDs) who experience social interaction deficits. The Screen for Social Interaction (SSI) is a well-validated screening measure that examines a child's capacity for social interaction using a developmental approach. The present study identified four underlying factors measured by the SSI, namely, Connection with Caregiver, Interaction/Imagination, Social Approach/Interest, and Agreeable Nature. The resulting factors were utilized to compare social interaction profiles across groups of children with AD, PDD-NOS, children with non-ASD developmental and/or psychiatric conditions and typically developing children. The results indicate that children with AD and those with PDD-NOS had similar social interaction profiles, but were able to be distinguished from typically developing children on every factor and were able to be distinguished from children with non-ASD psychiatric conditions on every factor except the Connection with Caregiver factor. In addition, children with non-ASD developmental and/or psychiatric conditions could be distinguished from typically developing children on the Connection with Caregiver factor and the Social Approach/Interest factor. These findings have implications for screening and intervention for children with ASDs and non-ASD psychiatric conditions.

  13. Genetic programming-based approach to elucidate biochemical interaction networks from data.

    PubMed

    Kandpal, Manoj; Kalyan, Chakravarthy Mynampati; Samavedham, Lakshminarayanan

    2013-02-01

    Biochemical systems are characterised by cyclic/reversible reciprocal actions, non-linear interactions and a mixed relationship structures (linear and non-linear; static and dynamic). Deciphering the architecture of such systems using measured data to provide quantitative information regarding the nature of relationships that exist between the measured variables is a challenging proposition. Causality detection is one of the methodologies that are applied to elucidate biochemical networks from such data. Autoregressive-based modelling approach such as granger causality, partial directed coherence, directed transfer function and canonical variate analysis have been applied on different systems for deciphering such interactions, but with limited success. In this study, the authors propose a genetic programming-based causality detection (GPCD) methodology which blends evolutionary computation-based procedures along with parameter estimation methods to derive a mathematical model of the system. Application of the GPCD methodology on five data sets that contained the different challenges mentioned above indicated that GPCD performs better than the other methods in uncovering the exact structure with less false positives. On a glycolysis data set, GPCD was able to fill the 'interaction gaps' which were missed by other methods.

  14. GIS-based interactive tool to map the advent of world conquerors

    NASA Astrophysics Data System (ADS)

    Lakkaraju, Mahesh

    The objective of this thesis is to show the scale and extent of some of the greatest empires the world has ever seen. This is a hybrid project between the GIS based interactive tool and the web-based JavaScript tool. This approach lets the students learn effectively about the emperors themselves while understanding how long and far their empires spread. In the GIS based tool, a map is displayed with various points on it, and when a user clicks on one point, the relevant information of what happened at that particular place is displayed. Apart from this information, users can also select the interactive animation button and can walk through a set of battles in chronological order. As mentioned, this uses Java as the main programming language, and MOJO (Map Objects Java Objects) provided by ESRI. MOJO is very effective as its GIS related features can be included in the application itself. This app. is a simple tool and has been developed for university or high school level students. D3.js is an interactive animation and visualization platform built on the Javascript framework. Though HTML5, CSS3, Javascript and SVG animations can be used to derive custom animations, this tool can help bring out results with less effort and more ease of use. Hence, it has become the most sought after visualization tool for multiple applications. D3.js has provided a map-based visualization feature so that we can easily display text-based data in a map-based interface. To draw the map and the points on it, D3.js uses data rendered in TOPO JSON format. The latitudes and longitudes can be provided, which are interpolated into the Map svg. One of the main advantages of doing it this way is that more information is retained when we use a visual medium.

  15. The Pathway Active Learning Environment: An interactive web-based tool for physics education

    NASA Astrophysics Data System (ADS)

    Nakamura, Christopher Matthew

    The work described here represents an effort to design, construct, and test an interactive online multimedia learning environment that can provide physics instruction to students in their homes. The system was designed with one-on-one human tutoring in mind as the mode of instruction. The system uses an original combination of a video-based tutor that incorporates natural language processing video-centered lessons and additional illustrative multimedia. Our Synthetic Interview (SI) tutor provides pre-recorded video answers from expert physics instructors in response to students' typed natural language questions. Our lessons cover Newton's laws and provide a context for the tutoring interaction to occur, connect physics ideas to real-world behavior of mechanical systems, and allow for quantitative testing of physics. Additional multimedia can be used to supplement the SI tutors' explanations and illustrate the physics of interest. The system is targeted at students of algebra-based and concept-based physics at the college and high school level. The system logs queries to the SI tutor, responses to lesson questions and several other interactions with the system, tagging those interactions with a username and timestamp. We have provided several groups of students with access to our system under several different conditions ranging from the controlled conditions of our interview facility to the naturalistic conditions of use at home. In total nearly two-hundred students have accessed the system. To gain insight into the ways students might use the system and understand the utility of its various components we analyzed qualitative interview data collected with 22 algebra-based physics students who worked with our system in our interview facility. We also performed a descriptive analysis of data from the system's log of user interactions. Finally we explored the use of machine learning to explore the possibility of using automated assessment to augment the interactive

  16. Architecture effects on multivalent interactions by polypeptide-based multivalent ligands

    NASA Astrophysics Data System (ADS)

    Liu, Shuang

    Multivalent interactions are characterized by the simultaneous binding between multiple ligands and multiple binding sites, either in solutions or at interfaces. In biological systems, most multivalent interactions occur between protein receptors and carbohydrate ligands through hydrogen-bonding and hydrophobic interactions. Compared with weak affinity binding between one ligand and one binding site, i.e. monovalent interaction, multivalent interactioins provide greater avidity and specificity, and therefore play unique roles in a broad range of biological activities. Moreover, the studies of multivalent interactions are also essential for producing effective inhibitors and effectors of biological processes that could have important therapeutic applications. Synthetic multivalent ligands have been designed to mimic the biological functions of natural multivalent interactions, and various types of scaffolds have been used to display multiple ligands, including small molecules, linear polymers, dendrimers, nanoparticle surfaces, monolayer surfaces and liposomes. Studies have shown that multivalent interactions can be highly affected by various architectural parameters of these multivalent ligands, including ligand identities, valencies, spacing, ligand densities, nature of linker arms, scaffold length and scaffold conformation. Most of these multivalent ligands are chemically synthesized and have limitations of controlling over sequence and conformation, which is a barrier for mimicking ordered and controlled natural biological systems. Therefore, multivalent ligands with precisely controlled architecture are required for improved structure-function relationship studies. Protein engineering methods with subsequent chemical coupling of ligands provide significant advantages of controlling over backbone conformation and functional group placement, and therefore have been used to synthesize recombinant protein-based materials with desired properties similar to natural

  17. Interactive computer-assisted instruction in acid-base physiology for mobile computer platforms.

    PubMed

    Longmuir, Kenneth J

    2014-03-01

    In this project, the traditional lecture hall presentation of acid-base physiology in the first-year medical school curriculum was replaced by interactive, computer-assisted instruction designed primarily for the iPad and other mobile computer platforms. Three learning modules were developed, each with ∼20 screens of information, on the subjects of the CO2-bicarbonate buffer system, other body buffer systems, and acid-base disorders. Five clinical case modules were also developed. For the learning modules, the interactive, active learning activities were primarily step-by-step learner control of explanations of complex physiological concepts, usually presented graphically. For the clinical cases, the active learning activities were primarily question-and-answer exercises that related clinical findings to the relevant basic science concepts. The student response was remarkably positive, with the interactive, active learning aspect of the instruction cited as the most important feature. Also, students cited the self-paced instruction, extensive use of interactive graphics, and side-by-side presentation of text and graphics as positive features. Most students reported that it took less time to study the subject matter with this online instruction compared with subject matter presented in the lecture hall. However, the approach to learning was highly examination driven, with most students delaying the study of the subject matter until a few days before the scheduled examination. Wider implementation of active learning computer-assisted instruction will require that instructors present subject matter interactively, that students fully embrace the responsibilities of independent learning, and that institutional administrations measure instructional effort by criteria other than scheduled hours of instruction.

  18. Interactive computer-assisted instruction in acid-base physiology for mobile computer platforms.

    PubMed

    Longmuir, Kenneth J

    2014-03-01

    In this project, the traditional lecture hall presentation of acid-base physiology in the first-year medical school curriculum was replaced by interactive, computer-assisted instruction designed primarily for the iPad and other mobile computer platforms. Three learning modules were developed, each with ∼20 screens of information, on the subjects of the CO2-bicarbonate buffer system, other body buffer systems, and acid-base disorders. Five clinical case modules were also developed. For the learning modules, the interactive, active learning activities were primarily step-by-step learner control of explanations of complex physiological concepts, usually presented graphically. For the clinical cases, the active learning activities were primarily question-and-answer exercises that related clinical findings to the relevant basic science concepts. The student response was remarkably positive, with the interactive, active learning aspect of the instruction cited as the most important feature. Also, students cited the self-paced instruction, extensive use of interactive graphics, and side-by-side presentation of text and graphics as positive features. Most students reported that it took less time to study the subject matter with this online instruction compared with subject matter presented in the lecture hall. However, the approach to learning was highly examination driven, with most students delaying the study of the subject matter until a few days before the scheduled examination. Wider implementation of active learning computer-assisted instruction will require that instructors present subject matter interactively, that students fully embrace the responsibilities of independent learning, and that institutional administrations measure instructional effort by criteria other than scheduled hours of instruction. PMID:24585467

  19. Technological applications arising from the interactions of DNA bases with metal ions.

    PubMed

    Park, Ki Soo; Park, Hyun Gyu

    2014-08-01

    An intense interest has grown in the unique interactions of nucleic acids with metal ions, which lead to the formation of metal-base pairs and the generation of fluorescent nanomaterials. In this review, different types of metal-base pairs, especially those formed from naturally occurring nucleosides, are described with emphasis also being given to recent advances made in employing these complexes to govern enzymatic reactions. The review also contains a comprehensive description of DNA-templated inorganic nanomaterials such as silver nanoclusters which possess excellent fluorescence properties. Finally, a summary is given about how these materials have led to recent advances in the field of nanobiotechnology.

  20. Technological applications arising from the interactions of DNA bases with metal ions.

    PubMed

    Park, Ki Soo; Park, Hyun Gyu

    2014-08-01

    An intense interest has grown in the unique interactions of nucleic acids with metal ions, which lead to the formation of metal-base pairs and the generation of fluorescent nanomaterials. In this review, different types of metal-base pairs, especially those formed from naturally occurring nucleosides, are described with emphasis also being given to recent advances made in employing these complexes to govern enzymatic reactions. The review also contains a comprehensive description of DNA-templated inorganic nanomaterials such as silver nanoclusters which possess excellent fluorescence properties. Finally, a summary is given about how these materials have led to recent advances in the field of nanobiotechnology. PMID:24832070

  1. PEG and Thickeners: A Critical Interaction Between Polyethylene Glycol Laxative and Starch-Based Thickeners.

    PubMed

    Carlisle, Brian J; Craft, Garrett; Harmon, Julie P; Ilkevitch, Alina; Nicoghosian, Jenik; Sheyner, Inna; Stewart, Jonathan T

    2016-09-01

    Clinicians commonly encounter dysphagia and constipation in a skilled nursing population. Increasing the viscosity of liquids, usually with a starch- or xanthan gum-based thickener, serves as a key intervention for patients with dysphagia. We report a newly identified and potentially dangerous interaction between polyethylene glycol 3350 laxative (PEG) and starch-thickened liquids. A patient requiring nectar-thickened liquids became constipated, and medical staff prescribed PEG for constipation. His nurse observed that the thickened apple juice immediately thinned to near-water consistency when PEG was added. She obtained the same results with thickened water and coffee. We quantified this phenomenon by isothermal rotational rheology. Results confirmed a precipitous loss of thickening when PEG was added to starch-based thickeners but not with xanthan gum-based thickeners. Clinicians and front-line staff should be aware of this potentially critical interaction between PEG- and starch-based thickeners. Although confirmatory studies are needed, our preliminary data suggest that PEG may be compatible with xanthan gum-- based thickeners. PMID:27569713

  2. The Pathogen-Host Interactions database (PHI-base): additions and future developments

    PubMed Central

    Urban, Martin; Pant, Rashmi; Raghunath, Arathi; Irvine, Alistair G.; Pedro, Helder; Hammond-Kosack, Kim E.

    2015-01-01

    Rapidly evolving pathogens cause a diverse array of diseases and epidemics that threaten crop yield, food security as well as human, animal and ecosystem health. To combat infection greater comparative knowledge is required on the pathogenic process in multiple species. The Pathogen-Host Interactions database (PHI-base) catalogues experimentally verified pathogenicity, virulence and effector genes from bacterial, fungal and protist pathogens. Mutant phenotypes are associated with gene information. The included pathogens infect a wide range of hosts including humans, animals, plants, insects, fish and other fungi. The current version, PHI-base 3.6, available at http://www.phi-base.org, stores information on 2875 genes, 4102 interactions, 110 host species, 160 pathogenic species (103 plant, 3 fungal and 54 animal infecting species) and 181 diseases drawn from 1243 references. Phenotypic and gene function information has been obtained by manual curation of the peer-reviewed literature. A controlled vocabulary consisting of nine high-level phenotype terms permits comparisons and data analysis across the taxonomic space. PHI-base phenotypes were mapped via their associated gene information to reference genomes available in Ensembl Genomes. Virulence genes and hotspots can be visualized directly in genome browsers. Future plans for PHI-base include development of tools facilitating community-led curation and inclusion of the corresponding host target(s). PMID:25414340

  3. Source and listener directivity for interactive wave-based sound propagation.

    PubMed

    Mehra, Ravish; Antani, Lakulish; Kim, Sujeong; Manocha, Dinesh

    2014-04-01

    We present an approach to model dynamic, data-driven source and listener directivity for interactive wave-based sound propagation in virtual environments and computer games. Our directional source representation is expressed as a linear combination of elementary spherical harmonic (SH) sources. In the preprocessing stage, we precompute and encode the propagated sound fields due to each SH source. At runtime, we perform the SH decomposition of the varying source directivity interactively and compute the total sound field at the listener position as a weighted sum of precomputed SH sound fields. We propose a novel plane-wave decomposition approach based on higher-order derivatives of the sound field that enables dynamic HRTF-based listener directivity at runtime. We provide a generic framework to incorporate our source and listener directivity in any offline or online frequency-domain wave-based sound propagation algorithm. We have integrated our sound propagation system in Valve's Source game engine and use it to demonstrate realistic acoustic effects such as sound amplification, diffraction low-passing, scattering, localization, externalization, and spatial sound, generated by wave-based propagation of directional sources and listener in complex scenarios. We also present results from our preliminary user study.

  4. An Internet-based interactive module for air emissions from fossil fuel based power generation

    SciTech Connect

    Karman, D.; O`Leary, K.; O`Reilly, S. |

    1997-12-31

    The proliferation of the Internet, Web pages and associated software tools available for developing multimedia material provides significant opportunities in training, education and information transfer. This paper will describe the development, testing and evaluation of an interactive teaching module aimed at college and university students that have previous education in thermodynamics and basic chemistry. The module is currently in development at the Department of Civil and Environmental Engineering at Carleton University with support from Environment Canada. Preliminary testing of this module is expected to begin late January. The module contains options to look at CO, CO{sub 2}, SO{sub 2} and NO{sub x} emissions associated with electric power generation in thermal stations that use coal, natural gas, crude and distillate oil. Factors governing the thermal efficiency of typical boiler systems and the thermodynamic limitations for converting heat into work are discussed. Supporting background information such as emission trends and emission factors used in calculations are also included as part of this module. A simple Rankine cycle without reheat or regeneration is considered to compare the emissions per unit energy delivered from each of the fuels considered. For natural gas and distillate oil, combined cycle operation is considered with a gas turbine-heat recovery steam generator combination replacing the boiler in the simple Rankine cycle. For all fuels, the cogeneration option is investigated by expanding the steam to an intermediate pressure in the turbine and utilizing the remaining heat by condensing the steam in a heat recovery application. Emission factors and basic information on CO, SO{sub 2} and NO{sub x} control technologies are utilized to calculate and report the emissions per unit energy delivered under the various scenarios investigated.

  5. Inter-helical interactions in membrane proteins: analysis based on the local backbone geometry and the side chain interactions.

    PubMed

    Jha, Anupam Nath; Vishveshwara, Saraswathi

    2009-06-01

    The availability of a significant number of the structures of helical membrane proteins has prompted us to investigate the mode of helix-helix packing. In the present study, we have considered a dataset of alpha-helical membrane proteins representing structures solved from all the known superfamilies. We have described the geometry of all the helical residues in terms of local coordinate axis at the backbone level. Significant inter-helical interactions have been considered as contacts by weighing the number of atom-atom contacts, including all the side-chain atoms. Such a definition of local axis and the contact criterion has allowed us to investigate the inter-helical interaction in a systematic and quantitative manner. We show that a single parameter (designated as alpha), which is derived from the parameters representing the mutual orientation of local axes, is able to accurately capture the details of helix-helix interaction. The analysis has been carried out by dividing the dataset into parallel, anti-parallel, and perpendicular orientation of helices. The study indicates that a specific range of alpha value is preferred for interactions among the anti-parallel helices. Such a preference is also seen among interacting residues of parallel helices, however to a lesser extent. No such preference is seen in the case of perpendicular helices, the contacts that arise mainly due to the interaction of surface helices with the end of the trans-membrane helices. The study supports the prevailing view that the anti-parallel helices are well packed. However, the interactions between helices of parallel orientation are non-trivial. The packing in alpha-helical membrane proteins, which is systematically and rigorously investigated in this study, may prove to be useful in modeling of helical membrane proteins.

  6. Computational prediction of molecular pathogen-host interactions based on dual transcriptome data

    PubMed Central

    Schulze, Sylvie; Henkel, Sebastian G.; Driesch, Dominik; Guthke, Reinhard; Linde, Jörg

    2015-01-01

    Inference of inter-species gene regulatory networks based on gene expression data is an important computational method to predict pathogen-host interactions (PHIs). Both the experimental setup and the nature of PHIs exhibit certain characteristics. First, besides an environmental change, the battle between pathogen and host leads to a constantly changing environment and thus complex gene expression patterns. Second, there might be a delay until one of the organisms reacts. Third, toward later time points only one organism may survive leading to missing gene expression data of the other organism. Here, we account for PHI characteristics by extending NetGenerator, a network inference tool that predicts gene regulatory networks from gene expression time series data. We tested multiple modeling scenarios regarding the stimuli functions of the interaction network based on a benchmark example. We show that modeling perturbation of a PHI network by multiple stimuli better represents the underlying biological phenomena. Furthermore, we utilized the benchmark example to test the influence of missing data points on the inference performance. Our results suggest that PHI network inference with missing data is possible, but we recommend to provide complete time series data. Finally, we extended the NetGenerator tool to incorporate gene- and time point specific variances, because complex PHIs may lead to high variance in expression data. Sample variances are directly considered in the objective function of NetGenerator and indirectly by testing the robustness of interactions based on variance dependent disturbance of gene expression values. We evaluated the method of variance incorporation on dual RNA sequencing (RNA-Seq) data of Mus musculus dendritic cells incubated with Candida albicans and proofed our method by predicting previously verified PHIs as robust interactions. PMID:25705211

  7. Computational prediction of molecular pathogen-host interactions based on dual transcriptome data.

    PubMed

    Schulze, Sylvie; Henkel, Sebastian G; Driesch, Dominik; Guthke, Reinhard; Linde, Jörg

    2015-01-01

    Inference of inter-species gene regulatory networks based on gene expression data is an important computational method to predict pathogen-host interactions (PHIs). Both the experimental setup and the nature of PHIs exhibit certain characteristics. First, besides an environmental change, the battle between pathogen and host leads to a constantly changing environment and thus complex gene expression patterns. Second, there might be a delay until one of the organisms reacts. Third, toward later time points only one organism may survive leading to missing gene expression data of the other organism. Here, we account for PHI characteristics by extending NetGenerator, a network inference tool that predicts gene regulatory networks from gene expression time series data. We tested multiple modeling scenarios regarding the stimuli functions of the interaction network based on a benchmark example. We show that modeling perturbation of a PHI network by multiple stimuli better represents the underlying biological phenomena. Furthermore, we utilized the benchmark example to test the influence of missing data points on the inference performance. Our results suggest that PHI network inference with missing data is possible, but we recommend to provide complete time series data. Finally, we extended the NetGenerator tool to incorporate gene- and time point specific variances, because complex PHIs may lead to high variance in expression data. Sample variances are directly considered in the objective function of NetGenerator and indirectly by testing the robustness of interactions based on variance dependent disturbance of gene expression values. We evaluated the method of variance incorporation on dual RNA sequencing (RNA-Seq) data of Mus musculus dendritic cells incubated with Candida albicans and proofed our method by predicting previously verified PHIs as robust interactions.

  8. Real-time interactive projection system based on infrared structured-light method

    NASA Astrophysics Data System (ADS)

    Qiao, Xiaorui; Zhou, Qian; Ni, Kai; He, Liang; Wu, Guanhao; Mao, Leshan; Cheng, Xuemin; Ma, Jianshe

    2012-11-01

    Interactive technologies have been greatly developed in recent years, especially in projection field. However, at present, most interactive projection systems are based on special designed interactive pens or whiteboards, which is inconvenient and limits the improvement of user experience. In this paper, we introduced our recent progress on theoretically modeling a real-time interactive projection system. The system permits the user to easily operate or draw on the projection screen directly by fingers without any other auxiliary equipment. The projector projects infrared striping patterns onto the screen and the CCD captures the deformational image. We resolve the finger's position and track its movement by processing the deformational image in real-time. A new way to determine whether the finger touches the screen is proposed. The first deformational fringe on the fingertip and the first fringe at the finger shadow are the same one. The correspondence is obtained, so the location parameters can be decided by triangulation. The simulation results are given, and errors are analyzed.

  9. Interactions between organic additives and active powders in water-based lithium iron phosphate electrode slurries

    NASA Astrophysics Data System (ADS)

    Li, Chia-Chen; Lin, Yu-Sheng

    2012-12-01

    The interactions of organic additives with active powders are investigated and are found to have great influence on the determination of the mixing process for preparing electrode slurries with good dispersion and electrochemical properties of lithium iron phosphate (LiFePO4) electrodes. Based on the analyses of zeta potential, sedimentation, and rheology, it is shown that LiFePO4 prefers to interact with styrene-butadiene rubber (SBR) relative to other organic additives such as sodium carboxymethyl cellulose (SCMC), and thus shows preferential adsorption by SBR, whereas SBR has much lower efficiency than SCMC in dispersing LiFePO4. Therefore, for SCMC to interact with and disperse LiFePO4 before the interaction of LiFePO4 with SBR, it is suggested to mix SCMC with LiFePO4 prior to the addition of SBR during the slurry preparation process. For the electrode prepared via the suggested process, i.e., the sequenced adding process in which SCMC is mixed with active powders prior to the addition of SBR, a much better electrochemical performance is obtained than that of the one prepared via the process referred as the simultaneous adding process, in which mixing of SCMC and SBR with active powders in simultaneous.

  10. Similarity-based modeling in large-scale prediction of drug-drug interactions

    PubMed Central

    Vilar, Santiago; Uriarte, Eugenio; Santana, Lourdes; Lorberbaum, Tal; Hripcsak, George; Friedman, Carol; Tatonetti, Nicholas P

    2015-01-01

    Drug-drug interactions (DDIs) are a major cause of adverse drug effects and a public health concern, as they increase hospital care expenses and reduce patients’ quality of life. DDI detection is, therefore, an important objective in patient safety, one whose pursuit affects drug development and pharmacovigilance. In this article, we describe a protocol applicable on a large scale to predict novel DDIs based on similarity of drug interaction candidates to drugs involved in established DDIs. the method integrates a reference standard database of known DDIs with drug similarity information extracted from different sources, such as 2D and 3D molecular structure, interaction profile, target and side-effect similarities. the method is interpretable in that it generates drug interaction candidates that are traceable to pharmacological or clinical effects. We describe a protocol with applications in patient safety and preclinical toxicity screening. the time frame to implement this protocol is 5–7 h, with additional time potentially necessary, depending on the complexity of the reference standard DDI database and the similarity measures implemented. PMID:25122524

  11. Interactions of Aqueous Imidazolium-Based Ionic Liquid Mixtures with Solid-Supported Phospholipid Vesicles

    PubMed Central

    Losada-Pérez, Patricia; Khorshid, Mehran; Renner, Frank Uwe

    2016-01-01

    Despite the environmentally friendly reputation of ionic liquids (ILs), their safety has been recently questioned given their potential as cytotoxic agents. The fundamental mechanisms underlying the interactions between ILs and cells are less studied and by far not completely understood. Biomimetic films are here important biophysical model systems to elucidate fundamental aspects and mechanisms relevant for a large range of biological interaction ranging from signaling to drug reception or toxicity. Here we use dissipative quartz crystal microbalance QCM-D to examine the effect of aqueous imidazolium-based ionic liquid mixtures on solid-supported biomimetic membranes. Specifically, we assess in real time the effect of the cation chain length and the anion nature on a supported vesicle layer of the model phospholipid DMPC. Results indicate that interactions are mainly driven by the hydrophobic components of the IL, which significantly distort the layer and promote vesicle rupture. Our analyses evidence the gradual decrease of the main phase transition temperature upon increasing IL concentration, reflecting increased disorder by weakening of lipid chain interactions. The degree of rupture is significant for ILs with long hydrophobic cation chains and large hydrophobic anions whose behavior is reminiscent of that of antimicrobial peptides. PMID:27684947

  12. Similarity-based modeling in large-scale prediction of drug-drug interactions.

    PubMed

    Vilar, Santiago; Uriarte, Eugenio; Santana, Lourdes; Lorberbaum, Tal; Hripcsak, George; Friedman, Carol; Tatonetti, Nicholas P

    2014-09-01

    Drug-drug interactions (DDIs) are a major cause of adverse drug effects and a public health concern, as they increase hospital care expenses and reduce patients' quality of life. DDI detection is, therefore, an important objective in patient safety, one whose pursuit affects drug development and pharmacovigilance. In this article, we describe a protocol applicable on a large scale to predict novel DDIs based on similarity of drug interaction candidates to drugs involved in established DDIs. The method integrates a reference standard database of known DDIs with drug similarity information extracted from different sources, such as 2D and 3D molecular structure, interaction profile, target and side-effect similarities. The method is interpretable in that it generates drug interaction candidates that are traceable to pharmacological or clinical effects. We describe a protocol with applications in patient safety and preclinical toxicity screening. The time frame to implement this protocol is 5-7 h, with additional time potentially necessary, depending on the complexity of the reference standard DDI database and the similarity measures implemented. PMID:25122524

  13. CLIMLAB: a Python-based software toolkit for interactive, process-oriented climate modeling

    NASA Astrophysics Data System (ADS)

    Rose, B. E. J.

    2015-12-01

    Global climate is a complex emergent property of the rich interactions between simpler components of the climate system. We build scientific understanding of this system by breaking it down into component process models (e.g. radiation, large-scale dynamics, boundary layer turbulence), understanding each components, and putting them back together. Hands-on experience and freedom to tinker with climate models (whether simple or complex) is invaluable for building physical understanding. CLIMLAB is an open-ended software engine for interactive, process-oriented climate modeling. With CLIMLAB you can interactively mix and match model components, or combine simpler process models together into a more comprehensive model. It was created primarily to support classroom activities, using hands-on modeling to teach fundamentals of climate science at both undergraduate and graduate levels. CLIMLAB is written in Python and ties in with the rich ecosystem of open-source scientific Python tools for numerics and graphics. The IPython notebook format provides an elegant medium for distributing interactive example code. I will give an overview of the current capabilities of CLIMLAB, the curriculum we have developed thus far, and plans for the future. Using CLIMLAB requires some basic Python coding skills. We consider this an educational asset, as we are targeting upper-level undergraduates and Python is an increasingly important language in STEM fields. However CLIMLAB is well suited to be deployed as a computational back-end for a graphical gaming environment based on earth-system modeling.

  14. Assessing interactions among multiple physiological systems during walking outside a laboratory: An Android based gait monitor.

    PubMed

    Sejdić, E; Millecamps, A; Teoli, J; Rothfuss, M A; Franconi, N G; Perera, S; Jones, A K; Brach, J S; Mickle, M H

    2015-12-01

    Gait function is traditionally assessed using well-lit, unobstructed walkways with minimal distractions. In patients with subclinical physiological abnormalities, these conditions may not provide enough stress on their ability to adapt to walking. The introduction of challenging walking conditions in gait can induce responses in physiological systems in addition to the locomotor system. There is a need for a device that is capable of monitoring multiple physiological systems in various walking conditions. To address this need, an Android-based gait-monitoring device was developed that enabled the recording of a patient's physiological systems during walking. The gait-monitoring device was tested during self-regulated overground walking sessions of fifteen healthy subjects that included 6 females and 9 males aged 18-35 years. The gait-monitoring device measures the patient's stride interval, acceleration, electrocardiogram, skin conductance and respiratory rate. The data is stored on an Android phone and is analyzed offline through the extraction of features in the time, frequency and time-frequency domains. The analysis of the data depicted multisystem physiological interactions during overground walking in healthy subjects. These interactions included locomotion-electrodermal, locomotion-respiratory and cardiolocomotion couplings. The current results depicting strong interactions between the locomotion system and the other considered systems (i.e., electrodermal, respiratory and cardiovascular systems) warrant further investigation into multisystem interactions during walking, particularly in challenging walking conditions with older adults.

  15. Structure of a protein (H2AX): a comparative study with knowledge-based interactions

    NASA Astrophysics Data System (ADS)

    Fritsche, Miriam; Heermann, Dieter; Farmer, Barry; Pandey, Ras

    2013-03-01

    The structural and conformational properties of the histone protein H2AX (with143 residues) is studied by a coarse-grained model as a function of temperature (T). Three knowledge-based phenomenological interactions (MJ, BT, and BFKV) are used as input to a generalized Lennard-Jones potential for residue-residue interactions. Large-scale Monte Carlo simulations are performed to identify similarity and differences in the equilibrium structures with these potentials. Multi-scale structures of the protein are examined by a detailed analysis of their structure functions. We find that the radius of gyration (Rg) of H2AX depends non-monotonically on temperature with a maximum at a characteristic value Tc, a common feature to each interaction. The characteristic temperature and the range of non-monotonic thermal response and decay pattern are, however, sensitive to interactions. A comparison of the structural properties emerging from three potentials will be presented in this talk. This work is supported by Air Force Research Laboratory.

  16. Efficient techniques for wave-based sound propagation in interactive applications

    NASA Astrophysics Data System (ADS)

    Mehra, Ravish

    Sound propagation techniques model the effect of the environment on sound waves and predict their behavior from point of emission at the source to the final point of arrival at the listener. Sound is a pressure wave produced by mechanical vibration of a surface that propagates through a medium such as air or water, and the problem of sound propagation can be formulated mathematically as a second-order partial differential equation called the wave equation. Accurate techniques based on solving the wave equation, also called the wave-based techniques, are too expensive computationally and memory-wise. Therefore, these techniques face many challenges in terms of their applicability in interactive applications including sound propagation in large environments, time-varying source and listener directivity, and high simulation cost for mid-frequencies. In this dissertation, we propose a set of efficient wave-based sound propagation techniques that solve these three challenges and enable the use of wave-based sound propagation in interactive applications. Firstly, we propose a novel equivalent source technique for interactive wave-based sound propagation in large scenes spanning hundreds of meters. It is based on the equivalent source theory used for solving radiation and scattering problems in acoustics and electromagnetics. Instead of using a volumetric or surface-based approach, this technique takes an object-centric approach to sound propagation. The proposed equivalent source technique generates realistic acoustic effects and takes orders of magnitude less runtime memory compared to prior wave-based techniques. Secondly, we present an efficient framework for handling time-varying source and listener directivity for interactive wave-based sound propagation. The source directivity is represented as a linear combination of elementary spherical harmonic sources. This spherical harmonic-based representation of source directivity can support analytical, data

  17. D-SLIMMER: domain-SLiM interaction motifs miner for sequence based protein-protein interaction data.

    PubMed

    Hugo, Willy; Ng, See-Kiong; Sung, Wing-Kin

    2011-12-01

    Many biologically important protein-protein interactions (PPIs) have been found to be mediated by short linear motifs (SLiMs). These interactions are mediated by the binding of a protein domain, often with a nonlinear interaction interface, to a SLiM. We propose a method called D-SLIMMER to mine for SLiMs in PPI data on the basis of the interaction density between a nonlinear motif (i.e., a protein domain) in one protein and a SLiM in the other protein. Our results on a benchmark of 113 experimentally verified reference SLiMs showed that D-SLIMMER outperformed existing methods notably for discovering domain-SLiMs interaction motifs. To illustrate the significance of the SLiMs detected, we highlighted two SLiMs discovered from the PPI data by D-SLIMMER that are variants of the known ELM SLiM, as well as a literature-backed SLiM that is yet to be listed in the reference databases. We also presented a novel SLiM predicted by D-SLIMMER that was strongly supported by existing biological literatures. These examples showed that D-SLIMMER is able to find SLiMs that are biologically relevant.

  18. A centrifugation-based physicochemical characterization method for the interaction between proteins and nanoparticles

    PubMed Central

    Bekdemir, Ahmet; Stellacci, Francesco

    2016-01-01

    Nanomedicine requires in-depth knowledge of nanoparticle–protein interactions. These interactions are studied with methods limited to large or fluorescently labelled nanoparticles as they rely on scattering or fluorescence-correlation signals. Here, we have developed a method based on analytical ultracentrifugation (AUC) as an absorbance-based, label-free tool to determine dissociation constants (KD), stoichiometry (Nmax), and Hill coefficient (n), for the association of bovine serum albumin (BSA) with gold nanoparticles. Absorption at 520 nm in AUC renders the measurements insensitive to unbound and aggregated proteins. Measurements remain accurate and do not become more challenging for small (sub-10 nm) nanoparticles. In AUC, frictional ratio analysis allows for the qualitative assessment of the shape of the analyte. Data suggests that small-nanoparticles/protein complexes significantly deviate from a spherical shape even at maximum coverage. We believe that this method could become one of the established approaches for the characterization of the interaction of (small) nanoparticles with proteins. PMID:27762263

  19. Chalcogen bonding in solution: interactions of benzotelluradiazoles with anionic and uncharged Lewis bases.

    PubMed

    Garrett, Graham E; Gibson, Gregory L; Straus, Rita N; Seferos, Dwight S; Taylor, Mark S

    2015-04-01

    Chalcogen bonding is the noncovalent interaction between an electron-deficient, covalently bonded chalcogen (Te, Se, S) and a Lewis base. Although substantial evidence supports the existence of chalcogen bonding in the solid state, quantitative data regarding the strengths of the interactions in the solution phase are lacking. Herein, determinations of the association constants of benzotelluradiazoles with a variety of Lewis bases (Cl(-), Br(-), I(-), NO3(-) and quinuclidine, in organic solvent) are described. The participation of the benzotelluradiazoles in chalcogen bonding interactions was probed by UV-vis, (1)H and (19)F NMR spectroscopy as well as nano-ESI mass spectrometry. Trends in the free energy of chalcogen bonds upon variation of the donor, acceptor and solvent are evident from these data, including a linear free energy relationship between chalcogen bond donor ability and calculated electrostatic potential at the tellurium center. Calculations using the dispersion-corrected B97-D3 functional were found to give good agreement with the experimental free energies of chalcogen bonding.

  20. Interaction Mechanism Insights on the Solvation of Fullerene B(80)with Choline-based Ionic Liquids.

    PubMed

    García, Gregorio; Atilhan, Mert; Aparicio, Santiago

    2015-09-24

    Beyond carbon allotropes, other nanostructures such as fullerene B80 are attracting a growing interest due to their potential applications. The use of new materials based on fullerene B80 is still in a premature stage; however many of these applications would require the use of B80 in solution. This paper reports an unprecedented density functional theory (DFT) analysis on the interaction mechanism between B80 and two choline-based ionic liquids as a first insight for the fullerene B80 solvation by ionic liquids. The analysis of properties such as binding energies, charge distributions or intermolecular interactions shed light on the main features, which should govern interaction between ionic liquids and fullerene B80. In addition, the optimization of systems composed by six ionic pairs around a fullerene B80 has supplied some information about the first solvation shell at the molecular level. As a summary, this paper provides the first insights in the rational design of ionic liquids with suitable properties for the solvation of B80.

  1. Aerosol-cloud interactions (ACI) viewed by satellite and ground-based remote sensing

    NASA Astrophysics Data System (ADS)

    Kim, Yoo-Jun; Kim, Byung-Gon

    2013-05-01

    Various aerosol and cloud microphysical properties have been compared and examined for several years using ground-based remote sensing data from Atmospheric Radiation Measurement (ARM), which showed that the clouds with strong above-cloud inversions are more immune to variations in the meteorological environment and the associated aerosol-cloud interactions appear to be more dominant in nearly adiabatic clouds by comparing different environmental conditions. Meanwhile, MODIS (Moderate-Resolution Imaging Spectroradiometer) and NCEP/NCAR (National Centers for Environmental Prediction/National Center for Atmospheric Research) reanalysis data from 2001 to 2008 have been analysed to understand long-term aerosol and cloud optical properties, and their relationships in East Asia. Specifically only relationships between aerosol optical depth (AOD) and cloud fraction (CF) for the low-level liquid-phase clouds exhibit the overall positive correlation, being consistent with cloud lifetime effect. The results imply that ground-based remote sensing is probably better for the study of aerosol-cloud microphysical interactions, whereas satellite remote sensing is more appropriate for the study of aerosol and cloud macroscopic interactions.

  2. Role of induced vortex interaction in a semi-active flapping foil based energy harvester

    NASA Astrophysics Data System (ADS)

    Wu, J.; Chen, Y. L.; Zhao, N.

    2015-09-01

    The role of induced vortex interaction in a semi-active flapping foil based energy harvester is numerically examined in this work. A NACA0015 airfoil, which acts as an energy harvester, is placed in a two-dimensional laminar flow. It performs an imposed pitching motion that subsequently leads to a plunging motion. Two auxiliary smaller foils, which rotate about their centers, are arranged above and below the flapping foil, respectively. As a consequence, the vortex interaction between the flapping foil and the rotating foil is induced. At a Reynolds number of 1100 and the position of the pitching axis at one-third chord, the effects of the distance between two auxiliary foils, the phase difference between the rotating motion and the pitching motion as well as the frequency of pitching motion on the power extraction performance are systematically investigated. It is found that compared to the single flapping foil, the efficiency improvement of overall power extraction for the flapping foil with two auxiliary foils can be achieved. Based on the numerical analysis, it is indicated that the enhanced power extraction, which is caused by the increased lift force, thanks to the induced vortex interaction, directly benefits the efficiency enhancement.

  3. A Development of Game-Based Learning Environment to Activate Interaction among Learners

    NASA Astrophysics Data System (ADS)

    Takaoka, Ryo; Shimokawa, Masayuki; Okamoto, Toshio

    Many studies and systems that incorporate elements such as “pleasure” and “fun” in the game to improve a learner's motivation have been developed in the field of learning environments. However, few are the studies of situations where many learners gather at a single computer and participate in a game-based learning environment (GBLE), and where the GBLE designs the learning process by controlling the interactions between learners such as competition, collaboration, and learning by teaching. Therefore, the purpose of this study is to propose a framework of educational control that induces and activates interaction between learners intentionally to create a learning opportunity that is based on the knowledge understanding model of each learner. In this paper, we explain the design philosophy and the framework of our GBLE called “Who becomes the king in the country of mathematics?” from a game viewpoint and describe the method of learning support control in the learning environment. In addition, we report the results of the learning experiment with our GBLE, which we carried out in a junior high school, and include some comments by a principal and a teacher. From the results of the experiment and some comments, we noticed that a game may play a significant role in weakening the learning relationship among students and creating new relationships in the world of the game. Furthermore, we discovered that learning support control of the GBLE has led to activation of the interaction between learners to some extent.

  4. Density functional theory studies of interactions of ruthenium-arene complexes with base pair steps.

    PubMed

    Mutter, Shaun T; Platts, James A

    2011-10-20

    Density functional theory (DFT) calculations have been performed to determine the strength and geometry of intermolecular interactions of "piano-stool" ruthenium arene complexes, which show potential as anticancer treatments. Model complexes with methane and benzene indicate that the coordinated arene has C-H···π acceptor ability similar to that of free benzene, whereas this arene acts as a much stronger C-H donor or partner in π-stacking than free benzene. The source of these enhanced interactions is identified as a combination of electrostatic and dispersion effects. Complexes of Ru-arene complexes with base-pair step fragments of DNA, in which the arene has the potential to act as an intercalator, have also been investigated. Binding energies are found to be sensitive to the size and nature of the arene, with larger and more flexible arenes having stronger binding. π-stacking and C-H···π interactions between arene and DNA bases and hydrogen bonds from coordinated N-H to DNA oxygen atoms, as well as covalent Ru-N bonding, contribute to the overall binding. The effect of complexation on DNA structure is also examined, with larger rise and more negative slide values than canonical B-DNA observed in all cases.

  5. Extracting Drug-Drug Interaction from the Biomedical Literature Using a Stacked Generalization-Based Approach

    PubMed Central

    He, Linna; Yang, Zhihao; Zhao, Zhehuan; Lin, Hongfei; Li, Yanpeng

    2013-01-01

    Drug-drug interaction (DDI) detection is particularly important for patient safety. However, the amount of biomedical literature regarding drug interactions is increasing rapidly. Therefore, there is a need to develop an effective approach for the automatic extraction of DDI information from the biomedical literature. In this paper, we present a Stacked Generalization-based approach for automatic DDI extraction. The approach combines the feature-based, graph and tree kernels and, therefore, reduces the risk of missing important features. In addition, it introduces some domain knowledge based features (the keyword, semantic type, and DrugBank features) into the feature-based kernel, which contribute to the performance improvement. More specifically, the approach applies Stacked generalization to automatically learn the weights from the training data and assign them to three individual kernels to achieve a much better performance than each individual kernel. The experimental results show that our approach can achieve a better performance of 69.24% in F-score compared with other systems in the DDI Extraction 2011 challenge task. PMID:23785452

  6. Can Interactive Web-based CAD Tools Improve the Learning of Engineering Drawing? A Case Study

    NASA Astrophysics Data System (ADS)

    Pando Cerra, Pablo; Suárez González, Jesús M.; Busto Parra, Bernardo; Rodríguez Ortiz, Diana; Álvarez Peñín, Pedro I.

    2014-06-01

    Many current Web-based learning environments facilitate the theoretical teaching of a subject but this may not be sufficient for those disciplines that require a significant use of graphic mechanisms to resolve problems. This research study looks at the use of an environment that can help students learn engineering drawing with Web-based CAD tools, including a self-correction component. A comparative study of 121 students was carried out. The students were divided into two experimental groups using Web-based interactive CAD tools and into two control groups using traditional learning tools. A statistical analysis of all the samples was carried out in order to study student behavior during the research and the effectiveness of these self-study tools in the learning process. The results showed that a greater number of students in the experimental groups passed the test and improved their test scores. Therefore, the use Web-based graphic interactive tools to learn engineering drawing can be considered a significant improvement in the teaching of this kind of academic discipline.

  7. Interactions between Antibiotics and Graphene-Based Materials in Water: A Comparative Experimental and Theoretical Investigation.

    PubMed

    Zhang, Xuntong; Shen, Jiachun; Zhuo, Ning; Tian, Ziqi; Xu, Peiran; Yang, Zhen; Yang, Weiben

    2016-09-14

    Complex interactions between antibiotics and graphene-based materials determine both the adsorption performance of graphene-based materials and the transport behaviors of antibiotics in water. In this work, such interactions were investigated through adsorption experiments, instrumental analyses and theoretical DFT calculations. Three typical antibiotics (norfloxacin (NOR), sulfadiazine (SDZ) and tetracycline (TC)) and different graphene-based materials (divided into two groups: graphene oxides-based ones (GOs) and reduced GOs (RGOs)) were employed. Optimal adsorption pHs for NOR, SDZ, and TC are 6.2, 4.0, and 4.0, respectively. At corresponding optimal pHs, NOR favored RGOs (adsorption capability: ∼50 mg/g) while SDZ preferred GOs (∼17 mg/g); All adsorbents exhibited similar uptake of TC (∼70 mg/g). Similar amounts of edge carboxyls of both GOs and RGOs wielded electrostatic attraction with NOR and TC, but not with SDZ. According to DFT-calculated most-stable-conformations of antibiotics-adsorbents complexes, the intrinsic distinction between GOs and RGOs was the different amounts of sp(2) and sp(3) hybridization regions: π-π electron donor-acceptor effect of antibiotic-sp(2)/sp(3) and H-bonds of antibiotic-sp(3) coexisted. Binding energy (BE) of the former was larger for NOR; the latter interaction was stronger for SDZ; two species of TC at the optimal pH, i.e., TC(+) and TC(0), possessed larger BE with sp(3) and sp(2) regions, respectively. PMID:27548426

  8. Integrated VR platform for 3D and image-based models: a step toward interactive image-based virtual environments

    NASA Astrophysics Data System (ADS)

    Yoon, Jayoung; Kim, Gerard J.

    2003-04-01

    Traditionally, three dimension models have been used for building virtual worlds, and a data structure called the "scene graph" is often employed to organize these 3D objects in the virtual space. On the other hand, image-based rendering has recently been suggested as a probable alternative VR platform for its photo-realism, however, due to limited interactivity, it has only been used for simple navigation systems. To combine the merits of these two approaches to object/scene representations, this paper proposes for a scene graph structure in which both 3D models and various image-based scenes/objects can be defined, traversed, and rendered together. In fact, as suggested by Shade et al., these different representations can be used as different LOD's for a given object. For instance, an object might be rendered using a 3D model at close range, a billboard at an intermediate range, and as part of an environment map at far range. The ultimate objective of this mixed platform is to breath more interactivity into the image based rendered VE's by employing 3D models as well. There are several technical challenges in devising such a platform: designing scene graph nodes for various types of image based techniques, establishing criteria for LOD/representation selection, handling their transitions, implementing appropriate interaction schemes, and correctly rendering the overall scene. Currently, we have extended the scene graph structure of the Sense8's WorldToolKit, to accommodate new node types for environment maps billboards, moving textures and sprites, "Tour-into-the-Picture" structure, and view interpolated objects. As for choosing the right LOD level, the usual viewing distance and image space criteria are used, however, the switching between the image and 3D model occurs at a distance from the user where the user starts to perceive the object's internal depth. Also, during interaction, regardless of the viewing distance, a 3D representation would be used, it if

  9. Viscoelastic model based force control for soft tissue interaction and its application in physiological motion compensation.

    PubMed

    Moreira, Pedro; Zemiti, Nabil; Liu, Chao; Poignet, Philippe

    2014-09-01

    Controlling the interaction between robots and living soft tissues has become an important issue as the number of robotic systems inside the operating room increases. Many researches have been done on force control to help surgeons during medical procedures, such as physiological motion compensation and tele-operation systems with haptic feedback. In order to increase the performance of such controllers, this work presents a novel force control scheme using Active Observer (AOB) based on a viscoelastic interaction model. The control scheme has shown to be stable through theoretical analysis and its performance was evaluated by in vitro experiments. In order to evaluate how the force control scheme behaves under the presence of physiological motion, experiments considering breathing and beating heart disturbances are presented. The proposed control scheme presented a stable behavior in both static and moving environment. The viscoelastic AOB presented a compensation ratio of 87% for the breathing motion and 79% for the beating heart motion.

  10. KIPSE1: A Knowledge-based Interactive Problem Solving Environment for data estimation and pattern classification

    NASA Technical Reports Server (NTRS)

    Han, Chia Yung; Wan, Liqun; Wee, William G.

    1990-01-01

    A knowledge-based interactive problem solving environment called KIPSE1 is presented. The KIPSE1 is a system built on a commercial expert system shell, the KEE system. This environment gives user capability to carry out exploratory data analysis and pattern classification tasks. A good solution often consists of a sequence of steps with a set of methods used at each step. In KIPSE1, solution is represented in the form of a decision tree and each node of the solution tree represents a partial solution to the problem. Many methodologies are provided at each node to the user such that the user can interactively select the method and data sets to test and subsequently examine the results. Otherwise, users are allowed to make decisions at various stages of problem solving to subdivide the problem into smaller subproblems such that a large problem can be handled and a better solution can be found.

  11. Carrier multiplication between interacting nanocrystals for fostering silicon-based photovoltaics

    NASA Astrophysics Data System (ADS)

    Govoni, Marco; Marri, Ivan; Ossicini, Stefano

    2012-10-01

    The conversion of solar radiation into electric current with high efficiency is one of the most important topics of modern scientific research, as it holds great potential as a source of clean and renewable energy. Exploitation of interaction between nanocrystals seems to be a promising route to the establishment of third-generation photovoltaics. Here, we adopt a fully ab initio scheme to estimate the role of nanoparticle interplay in the carrier multiplication dynamics of interacting silicon nanocrystals. Energy and charge transfer-based carrier multiplication events are studied as a function of nanocrystal separation, demonstrating the benefits induced by the wavefunction sharing regime. We prove the relevance of these recombinative mechanisms for photovoltaic applications in the case of silicon nanocrystals arranged in dense arrays, quantifying at an atomic scale which conditions maximize the outcome.

  12. Interactions between facial emotion and identity in face processing: evidence based on redundancy gains.

    PubMed

    Yankouskaya, Alla; Booth, David A; Humphreys, Glyn

    2012-11-01

    Interactions between the processing of emotion expression and form-based information from faces (facial identity) were investigated using the redundant-target paradigm, in which we specifically tested whether identity and emotional expression are integrated in a superadditive manner (Miller, Cognitive Psychology 14:247-279, 1982). In Experiments 1 and 2, participants performed emotion and face identity judgments on faces with sad or angry emotional expressions. Responses to redundant targets were faster than responses to either single target when a universal emotion was conveyed, and performance violated the predictions from a model assuming independent processing of emotion and face identity. Experiment 4 showed that these effects were not modulated by varying interstimulus and nontarget contingencies, and Experiment 5 demonstrated that the redundancy gains were eliminated when faces were inverted. Taken together, these results suggest that the identification of emotion and facial identity interact in face processing. PMID:22814949

  13. MOLEonline 2.0: interactive web-based analysis of biomacromolecular channels.

    PubMed

    Berka, Karel; Hanák, Ondrej; Sehnal, David; Banás, Pavel; Navrátilová, Veronika; Jaiswal, Deepti; Ionescu, Crina-Maria; Svobodová Vareková, Radka; Koca, Jaroslav; Otyepka, Michal

    2012-07-01

    Biomolecular channels play important roles in many biological systems, e.g. enzymes, ribosomes and ion channels. This article introduces a web-based interactive MOLEonline 2.0 application for the analysis of access/egress paths to interior molecular voids. MOLEonline 2.0 enables platform-independent, easy-to-use and interactive analyses of (bio)macromolecular channels, tunnels and pores. Results are presented in a clear manner, making their interpretation easy. For each channel, MOLEonline displays a 3D graphical representation of the channel, its profile accompanied by a list of lining residues and also its basic physicochemical properties. The users can tune advanced parameters when performing a channel search to direct the search according to their needs. The MOLEonline 2.0 application is freely available via the Internet at http://ncbr.muni.cz/mole or http://mole.upol.cz.

  14. A flexible flight display research system using a ground-based interactive graphics terminal

    NASA Technical Reports Server (NTRS)

    Hatfield, J. J.; Elkins, H. C.; Batson, V. M.; Poole, W. L.

    1975-01-01

    Requirements and research areas for the air transportation system of the 1980 to 1990's were reviewed briefly to establish the need for a flexible flight display generation research tool. Specific display capabilities required by aeronautical researchers are listed and a conceptual system for providing these capabilities is described. The conceptual system uses a ground-based interactive graphics terminal driven by real-time radar and telemetry data to generate dynamic, experimental flight displays. These displays are scan converted to television format, processed, and transmitted to the cockpits of evaluation aircraft. The attendant advantages of a Flight Display Research System (FDRS) designed to employ this concept are presented. The detailed implementation of an FDRS is described. The basic characteristics of the interactive graphics terminal and supporting display electronic subsystems are presented and the resulting system capability is summarized. Finally, the system status and utilization are reviewed.

  15. Identification of Biomarker and Co-Regulatory Motifs in Lung Adenocarcinoma Based on Differential Interactions

    PubMed Central

    Chang, Zhiqiang; Li, Kening; Zhang, Rui; Zhou, Yuanshuai; Qiu, Fujun; Han, Xiaole; Xu, Yan

    2015-01-01

    Changes in intermolecular interactions (differential interactions) may influence the progression of cancer. Specific genes and their regulatory networks may be more closely associated with cancer when taking their transcriptional and post-transcriptional levels and dynamic and static interactions into account simultaneously. In this paper, a differential interaction analysis was performed to detect lung adenocarcinoma-related genes. Furthermore, a miRNA-TF (transcription factor) synergistic regulation network was constructed to identify three kinds of co-regulated motifs, namely, triplet, crosstalk and joint. Not only were the known cancer-related miRNAs and TFs (let-7, miR-15a, miR-17, TP53, ETS1, and so on) were detected in the motifs, but also the miR-15, let-7 and miR-17 families showed a tendency to regulate the triplet, crosstalk and joint motifs, respectively. Moreover, several biological functions (i.e., cell cycle, signaling pathways and hemopoiesis) associated with the three motifs were found to be frequently targeted by the drugs for lung adenocarcinoma. Specifically, the two 4-node motifs (crosstalk and joint) based on co-expression and interaction had a closer relationship to lung adenocarcinoma, and so further research was performed on them. A 10-gene biomarker (UBC, SRC, SP1, MYC, STAT3, JUN, NR3C1, RB1, GRB2 and MAPK1) was selected from the joint motif, and a survival analysis indicated its significant association with survival. Among the ten genes, JUN, NR3C1 and GRB2 are our newly detected candidate lung adenocarcinoma-related genes. The genes, regulators and regulatory motifs detected in this work will provide potential drug targets and new strategies for individual therapy. PMID:26402252

  16. Hemorheological implications of perfluorocarbon based oxygen carrier interaction with colloid plasma expanders and blood.

    PubMed

    Vásquez, Diana M; Ortiz, Daniel; Alvarez, Oscar A; Briceño, Juan C; Cabrales, Pedro

    2013-01-01

    Perfluorocarbon (PFC) emulsions used as artificial oxygen carriers lack colloid osmotic pressure (COP) and must be administered with colloid-based plasma expanders (PEs). Although PFC emulsions have been widely studied, there is limited information about PFC emulsion interaction with PEs and blood. Their interaction forms aggregates due to electrostatic and rheological phenomena, and change blood rheology and blood flow. This study analyzes the effects of the interaction between PFC emulsions with blood in the presence of clinically-used PEs. The rheological behavior of the mixtures was analyzed in vitro in parallel with in vivo analysis of blood flow in the microcirculation using intravital microscopy, when PEs were administered in a clinically relevant scenario. The interaction between the PFC emulsion and PE with blood produced PFC droplets and red blood cell (RBCs) aggregation and increased blood viscosity in a shear dependent fashion. The PFC droplets formed aggregates when mixed with PEs containing electrolytes, and the aggregation increased with the electrolyte concentration. Mixtures of PFC with PEs that produced PFC aggregates also induced RCBs aggregation when mixed with blood, increasing blood viscosity at low shear rates. The more viscous suspension at low shear rates produced a blunted blood flow velocity profile in vivo compared to nonaggregating mixtures of PFC and PEs. For the PEs evaluated, human serum albumin produced minimal to undetectable aggregation. PFC and PEs interaction with blood can affect sections of the microcirculation with low shear rates (e.g., arterioles, venules, and pulmonary circulation) when used in a clinical setting, because persistent aggregates could cause capillary occlusion, decreased perfusion, pulmonary emboli or focal ischemia.

  17. Identification of tissue-specific cis-regulatory modules based on interactions between transcription factors

    PubMed Central

    Yu, Xueping; Lin, Jimmy; Zack, Donald J; Qian, Jiang

    2007-01-01

    Background Evolutionary conservation has been used successfully to help identify cis-acting DNA regions that are important in regulating tissue-specific gene expression. Motivated by increasing evidence that some DNA regulatory regions are not evolutionary conserved, we have developed an approach for cis-regulatory region identification that does not rely upon evolutionary sequence conservation. Results The conservation-independent approach is based on an empirical potential energy between interacting transcription factors (TFs). In this analysis, the potential energy is defined as a function of the number of TF interactions in a genomic region and the strength of the interactions. By identifying sets of interacting TFs, the analysis locates regions enriched with the binding sites of these interacting TFs. We applied this approach to 30 human tissues and identified 6232 putative cis-regulatory modules (CRMs) regulating 2130 tissue-specific genes. Interestingly, some genes appear to be regulated by different CRMs in different tissues. Known regulatory regions are highly enriched in our predicted CRMs. In addition, DNase I hypersensitive sites, which tend to be associated with active regulatory regions, significantly overlap with the predicted CRMs, but not with more conserved regions. We also find that conserved and non-conserved CRMs regulate distinct gene groups. Conserved CRMs control more essential genes and genes involved in fundamental cellular activities such as transcription. In contrast, non-conserved CRMs, in general, regulate more non-essential genes, such as genes related to neural activity. Conclusion These results demonstrate that identifying relevant sets of binding motifs can help in the mapping of DNA regulatory regions, and suggest that non-conserved CRMs play an important role in gene regulation. PMID:17996093

  18. D Modelling and Interactive Web-Based Visualization of Cultural Heritage Objects

    NASA Astrophysics Data System (ADS)

    Koeva, M. N.

    2016-06-01

    Nowadays, there are rapid developments in the fields of photogrammetry, laser scanning, computer vision and robotics, together aiming to provide highly accurate 3D data that is useful for various applications. In recent years, various LiDAR and image-based techniques have been investigated for 3D modelling because of their opportunities for fast and accurate model generation. For cultural heritage preservation and the representation of objects that are important for tourism and their interactive visualization, 3D models are highly effective and intuitive for present-day users who have stringent requirements and high expectations. Depending on the complexity of the objects for the specific case, various technological methods can be applied. The selected objects in this particular research are located in Bulgaria - a country with thousands of years of history and cultural heritage dating back to ancient civilizations. This motivates the preservation, visualisation and recreation of undoubtedly valuable historical and architectural objects and places, which has always been a serious challenge for specialists in the field of cultural heritage. In the present research, comparative analyses regarding principles and technological processes needed for 3D modelling and visualization are presented. The recent problems, efforts and developments in interactive representation of precious objects and places in Bulgaria are presented. Three technologies based on real projects are described: (1) image-based modelling using a non-metric hand-held camera; (2) 3D visualization based on spherical panoramic images; (3) and 3D geometric and photorealistic modelling based on architectural CAD drawings. Their suitability for web-based visualization are demonstrated and compared. Moreover the possibilities for integration with additional information such as interactive maps, satellite imagery, sound, video and specific information for the objects are described. This comparative study

  19. Novel surface-based methodologies for investigating GH11 xylanase-lignin derivative interactions.

    PubMed

    Zeder-Lutz, G; Renau-Ferrer, S; Aguié-Béghin, V; Rakotoarivonina, H; Chabbert, B; Altschuh, D; Rémond, C

    2013-11-21

    The recalcitrance of lignocellulose to bioprocessing represents the core problem and remains the limiting factor in creating an economy based on lignocellulosic ethanol production. Lignin is responsible for unproductive interactions with enzymes, and understanding how lignin impairs the susceptibility of biomass to enzymatic hydrolysis represents a significant aim in optimising the biological deconstruction of lignocellulose. The objective of this study was to develop methodologies based on surface plasmon resonance (SPR), which provide novel insights into the interactions between xylanase (Tx-xyn11) and phenolic compounds or lignin oligomers. In a first approach, Tx-xyn11 was fixed onto sensor surfaces, and phenolic molecules were applied in the liquid phase. The results demonstrated weak affinity and over-stoichiometric binding, as several phenolic molecules bound to each xylanase molecule. This approach, requiring the use of soluble molecules in the liquid phase, is not applicable to insoluble lignin oligomers, such as the dehydrogenation polymer (DHP). An alternative approach was developed in which a lignin oligomer was fixed onto a sensor surface. Due to their hydrophobic properties, the preparation of stable lignin layers on the sensor surfaces represented a considerable challenge. Among the various chemical and physico-chemical approaches assayed, two approaches (physisorption via the Langmuir-Blodgett technique onto self-assembled monolayer (SAM)-modified gold and covalent coupling to a carboxylated dextran matrix) led to stable lignin layers, which allowed the study of its interactions with Tx-xyn11 in the liquid phase. Our results indicated the presence of weak and non-specific interactions between Tx-xyn11 and DHP. PMID:24071685

  20. An Interactive, Web-based High Performance Modeling Environment for Computational Epidemiology

    PubMed Central

    Deodhar, Suruchi; Bisset, Keith R.; Chen, Jiangzhuo; Ma, Yifei; Marathe, Madhav V.

    2014-01-01

    We present an integrated interactive modeling environment to support public health epidemiology. The environment combines a high resolution individual-based model with a user-friendly web-based interface that allows analysts to access the models and the analytics back-end remotely from a desktop or a mobile device. The environment is based on a loosely-coupled service-oriented-architecture that allows analysts to explore various counter factual scenarios. As the modeling tools for public health epidemiology are getting more sophisticated, it is becoming increasingly hard for non-computational scientists to effectively use the systems that incorporate such models. Thus an important design consideration for an integrated modeling environment is to improve ease of use such that experimental simulations can be driven by the users. This is achieved by designing intuitive and user-friendly interfaces that allow users to design and analyze a computational experiment and steer the experiment based on the state of the system. A key feature of a system that supports this design goal is the ability to start, stop, pause and roll-back the disease propagation and intervention application process interactively. An analyst can access the state of the system at any point in time and formulate dynamic interventions based on additional information obtained through state assessment. In addition, the environment provides automated services for experiment set-up and management, thus reducing the overall time for conducting end-to-end experimental studies. We illustrate the applicability of the system by describing computational experiments based on realistic pandemic planning scenarios. The experiments are designed to demonstrate the system's capability and enhanced user productivity. PMID:25530914

  1. Radical-radical interactions among oxidized guanine bases including guanine radical cation and dehydrogenated guanine radicals.

    PubMed

    Zhao, Jing; Wang, Mei; Yang, Hongfang; Zhang, Meng; Liu, Ping; Bu, Yuxiang

    2013-09-19

    We present here a theoretical investigation of the structural and electronic properties of di-ionized GG base pairs (G(•+)G(•+),G(-H1)(•)G(•+), and G(-H1)(•)G(-H1)(•)) consisting of the guanine cation radical (G(•+)) and/or dehydrogenated guanine radical (G(-H1)(•)) using density functional theory calculations. Different coupling modes (Watson-Crick/WC, Hoogsteen/Hoog, and minor groove/min hydrogen bonding, and π-π stacking modes) are considered. We infer that a series of G(•+)G(•+) complexes can be formed by the high-energy radiation. On the basis of density functional theory and complete active space self-consistent (CASSCF) calculations, we reveal that in the H-bonded and N-N cross-linked modes, (G(•+)G(•+))WC, (G(-H1)(•)G(-H1)(•))WC, (G(-H1)(•)G(-H1)(•))minI, and (G(-H1)(•)G(-H1)(•))minIII have the triplet ground states; (G(•+)G(•+))HoogI, (G(-H1)(•)G(•+))WC, (G(-H1)(•)G(•+))HoogI, (G(-H1)(•)G(•+))minI, (G(-H1)(•)G(•+))minII, and (G(-H1)(•)G(-H1)(•))minII possess open-shell broken-symmetry diradical-characterized singlet ground states; and (G(•+)G(•+))HoogII, (G(•+)G(•+))minI, (G(•+)G(•+))minII, (G(•+)G(•+))minIII, (G(•+)G(•+))HoHo, (G(-H1)(•)G(•+))minIII, (G(-H1)(•)G(•+))HoHo, and (G(-H1)(•)G(-H1)(•))HoHo are the closed-shell systems. For these H-bonded diradical complexes, the magnetic interactions are weak, especially in the diradical G(•+)G(•+) series and G(-H1)(•)G(-H1)(•) series. The magnetic coupling interactions of the diradical systems are controlled by intermolecular interactions (H-bond, electrostatic repulsion, and radical coupling). The radical-radical interaction in the π-π stacked di-ionized GG base pairs ((G(•+)G(•+))ππ, (G(-H1)(•)G(•+))ππ, and (G(-H1)(•)G(-H1)(•))ππ) are also considered, and the magnetic coupling interactions in these π-π stacked base pairs are large. This is the first theoretical prediction that some di

  2. Identifying protein interaction subnetworks by a bagging Markov random field-based method.

    PubMed

    Chen, Li; Xuan, Jianhua; Riggins, Rebecca B; Wang, Yue; Clarke, Robert

    2013-01-01

    Identification of differentially expressed subnetworks from protein-protein interaction (PPI) networks has become increasingly important to our global understanding of the molecular mechanisms that drive cancer. Several methods have been proposed for PPI subnetwork identification, but the dependency among network member genes is not explicitly considered, leaving many important hub genes largely unidentified. We present a new method, based on a bagging Markov random field (BMRF) framework, to improve subnetwork identification for mechanistic studies of breast cancer. The method follows a maximum a posteriori principle to form a novel network score that explicitly considers pairwise gene interactions in PPI networks, and it searches for subnetworks with maximal network scores. To improve their robustness across data sets, a bagging scheme based on bootstrapping samples is implemented to statistically select high confidence subnetworks. We first compared the BMRF-based method with existing methods on simulation data to demonstrate its improved performance. We then applied our method to breast cancer data to identify PPI subnetworks associated with breast cancer progression and/or tamoxifen resistance. The experimental results show that not only an improved prediction performance can be achieved by the BMRF approach when tested on independent data sets, but biologically meaningful subnetworks can also be revealed that are relevant to breast cancer and tamoxifen resistance.

  3. [Parent-child-interaction based diagnostic in high risk families with infants and toddlers].

    PubMed

    Alpermann, Mechthild; Koch, Gabriele

    2007-01-01

    This article deals with methods and instruments used to identify high risk parents and early developing risks of infants and young children during the pre- and postnatal period in order to develop early intervention strategies based on early diagnosis in the context of parent-child-relationship. The specific experiences of our research approaches, funded by the German ministry of education and research (BMBF) from 2003 to 2007 at the University of Applied Sciences in Potsdam in cooperation with the parent counselling centre "Vom Säugling zum Kleinkind" are reflected. An interaction and communication focused strategy was developed to help to identify early development risks and resources in the parent-infant-relationship at the age of 0-3 years. After testing the diagnostical approach of this social-emotional development screening (SEE-0-3) in a current evaluation study on a high-risk-population, it was integrated as one module of early diagnosis into the early intervention program "STEEP--Steps toward effective and enjoyable parenting" which is based on the attachment theory. Using a concrete case it will first be discussed which kind of approaches to becoming parents with high risk factors can be developed on the basis of attachment reflecting acting and second which possibilities an interaction and video based concept could offer in the field of early diagnosis and intervention with families of infants and young children.

  4. A unified set-based test with adaptive filtering for gene-environment interaction analyses.

    PubMed

    Liu, Qianying; Chen, Lin S; Nicolae, Dan L; Pierce, Brandon L

    2016-06-01

    In genome-wide gene-environment interaction (GxE) studies, a common strategy to improve power is to first conduct a filtering test and retain only the SNPs that pass the filtering in the subsequent GxE analyses. Inspired by two-stage tests and gene-based tests in GxE analysis, we consider the general problem of jointly testing a set of parameters when only a few are truly from the alternative hypothesis and when filtering information is available. We propose a unified set-based test that simultaneously considers filtering on individual parameters and testing on the set. We derive the exact distribution and approximate the power function of the proposed unified statistic in simplified settings, and use them to adaptively calculate the optimal filtering threshold for each set. In the context of gene-based GxE analysis, we show that although the empirical power function may be affected by many factors, the optimal filtering threshold corresponding to the peak of the power curve primarily depends on the size of the gene. We further propose a resampling algorithm to calculate P-values for each gene given the estimated optimal filtering threshold. The performance of the method is evaluated in simulation studies and illustrated via a genome-wide gene-gender interaction analysis using pancreatic cancer genome-wide association data. PMID:26496228

  5. Estimating Development Cost of an Interactive Website Based Cancer Screening Promotion Program

    PubMed Central

    Lairson, David R.; Chung, Tong Han; Smith, Lisa G.; Springston, Jeffrey K.; Champion, Victoria L.

    2015-01-01

    Objectives The aim of this study was to estimate the initial development costs for an innovative talk show format tailored intervention delivered via the interactive web, for increasing cancer screening in women 50 to 75 who were non-adherent to screening guidelines for colorectal cancer and/or breast cancer. Methods The cost of the intervention development was estimated from a societal perspective. Micro costing methods plus vendor contract costs were used to estimate cost. Staff logs were used to track personnel time. Non-personnel costs include all additional resources used to produce the intervention. Results Development cost of the interactive web based intervention was $.39 million, of which 77% was direct cost. About 98% of the cost was incurred in personnel time cost, contract cost and overhead cost. Conclusions The new web-based disease prevention medium required substantial investment in health promotion and media specialist time. The development cost was primarily driven by the high level of human capital required. The cost of intervention development is important information for assessing and planning future public and private investments in web-based health promotion interventions. PMID:25749548

  6. Lewis Acid–Base Interactions between Polysulfides and Metal Organic Framework in Lithium Sulfur Batteries

    SciTech Connect

    Zheng, Jianming; Tian, Jian; Wu, Dangxin; Gu, Meng; Xu, Wu; Wang, Chongmin; Gao, Fei; Engelhard, Mark H.; Zhang, Ji-Guang; Liu, Jun; Xiao, Jie

    2014-05-14

    Lithium–sulfur (Li–S) battery is one of the most promising energy storage systems because of its high specific capacity of 1675 mAh g–1 based on sulfur. However, the rapid capacity degradation, mainly caused by polysulfide dissolution, remains a significant challenge prior to practical applications. This work demonstrates that a novel Ni-based metal organic framework (Ni-MOF), Ni6(BTB)4(BP)3 (BTB = benzene-1,3,5-tribenzoate and BP = 4,4'-bipyridyl), can remarkably immobilize polysulfides within the cathode structure through physical and chemical interactions at molecular level. The capacity retention achieves up to 89% after 100 cycles at 0.1 C. Finally, the excellent performance is attributed to the synergistic effects of the interwoven mesopores (~2.8 nm) and micropores (~1.4 nm) of Ni-MOF, which first provide an ideal matrix to confine polysulfides, and the strong interactions between Lewis acidic Ni(II) center and the polysulfide base, which significantly slow down the migration of soluble polysulfides out of the pores, leading to the excellent cycling performance of Ni-MOF/S composite.

  7. Interactions between Human Glutamate Carboxypeptidase II and Urea-Based Inhibitors: Structural Characterization

    SciTech Connect

    Barinka, Cyril; Byun, Youngjoo; Dusich, Crystal L.; Banerjee, Sangeeta R.; Chen, Ying; Castanares, Mark; Kozikowski, Alan P.; Mease, Ronnie C.; Pomper, Martin G.; Lubkowski, Jacek

    2009-01-21

    Urea-based, low molecular weight ligands of glutamate carboxypeptidase II (GCPII) have demonstrated efficacy in various models of neurological disorders and can serve as imaging agents for prostate cancer. To enhance further development of such compounds, we determined X-ray structures of four complexes between human GCPII and urea-based inhibitors at high resolution. All ligands demonstrate an invariant glutarate moiety within the S1{prime} pocket of the enzyme. The ureido linkage between P1 and P1{prime} inhibitor sites interacts with the active-site Zn{sub 1}{sup 2+} ion and the side chains of Tyr552 and His553. Interactions within the S1 pocket are defined primarily by a network of hydrogen bonds between the P1 carboxylate group of the inhibitors and the side chains of Arg534, Arg536, and Asn519. Importantly, we have identified a hydrophobic pocket accessory to the S1 site that can be exploited for structure-based design of novel GCPII inhibitors with increased lipophilicity.

  8. A unified set-based test with adaptive filtering for gene-environment interaction analyses

    PubMed Central

    Liu, Qianying; Chen, Lin S.; Nicolae, Dan L.; Pierce, Brandon L.

    2015-01-01

    Summary In genome-wide gene-environment interaction (GxE) studies, a common strategy to improve power is to first conduct a filtering test and retain only the SNPs that pass the filtering in the subsequent GxE analyses. Inspired by two-stage tests and gene-based tests in GxE analysis, we consider the general problem of jointly testing a set of parameters when only a few are truly from the alternative hypothesis and when filtering information is available. We propose a unified set-based test that simultaneously considers filtering on individual parameters and testing on the set. We derive the exact distribution and approximate the power function of the proposed unified statistic in simplified settings, and use them to adaptively calculate the optimal filtering threshold for each set. In the context of gene-based GxE analysis, we show that although the empirical power function may be affected by many factors, the optimal filtering threshold corresponding to the peak of the power curve primarily depends on the size of the gene. We further propose a resampling algorithm to calculate p-values for each gene given the estimated optimal filtering threshold. The performance of the method is evaluated in simulation studies and illustrated via a genome-wide gene-gender interaction analysis using pancreatic cancer genome-wide association data. PMID:26496228

  9. Mechanistic insight into gramicidin-based detection of protein-ligand interactions via sensitized photoinactivation.

    PubMed

    Rokitskaya, Tatyana I; Macrae, Michael X; Blake, Steven; Egorova, Natalya S; Kotova, Elena A; Yang, Jerry; Antonenko, Yuri N

    2010-11-17

    Among the many challenges for the development of ion channel-based sensors is the poor understanding of how to engineer modified transmembrane pores with tailored functionality that can respond to external stimuli. Here, we use the method of sensitized photoinactivation of gramicidin A (gA) channels in planar bilayer lipid membranes to help elucidate the underlying mechanistic details for changes in macroscopic transmembrane ionic current observed upon interaction of C-terminally attached gA ligands with specific proteins in solution. Three different systems were studied: (i) carbonic anhydrase (CA) and gA-sulfonamide, (ii) PSD-95 protein (belonging to the 'PDZ domain-containing protein') and a gA analog carrying the KGGHRRSARYLESSV peptide sequence at the C-terminus, and (iii) an anti-biotin antibody and gA-biotin. The results challenge a previously proposed mechanistic hypothesis suggesting that protein-induced current suppression is due to steric blockage of the ion passage through gA channels, while they reveal new insight for consideration in alternative mechanistic models. Additionally, we demonstrate that the length of a linker between the ligand and the gA channel may be less important for gramicidin-based detection of monovalent compared to multivalent protein-ligand interactions. These studies collectively shed new light on the mechanism of protein-induced current alterations in bilayer recordings of gA derivatives, which may be important in the design of new gramicidin-based sensors.

  10. Mechanistic insight into gramicidin-based detection of protein-ligand interactions via sensitized photoinactivation

    NASA Astrophysics Data System (ADS)

    Rokitskaya, Tatyana I.; Macrae, Michael X.; Blake, Steven; Egorova, Natalya S.; Kotova, Elena A.; Yang, Jerry; Antonenko, Yuri N.

    2010-11-01

    Among the many challenges for the development of ion channel-based sensors is the poor understanding of how to engineer modified transmembrane pores with tailored functionality that can respond to external stimuli. Here, we use the method of sensitized photoinactivation of gramicidin A (gA) channels in planar bilayer lipid membranes to help elucidate the underlying mechanistic details for changes in macroscopic transmembrane ionic current observed upon interaction of C-terminally attached gA ligands with specific proteins in solution. Three different systems were studied: (i) carbonic anhydrase (CA) and gA-sulfonamide, (ii) PSD-95 protein (belonging to the 'PDZ domain-containing protein') and a gA analog carrying the KGGHRRSARYLESSV peptide sequence at the C-terminus, and (iii) an anti-biotin antibody and gA-biotin. The results challenge a previously proposed mechanistic hypothesis suggesting that protein-induced current suppression is due to steric blockage of the ion passage through gA channels, while they reveal new insight for consideration in alternative mechanistic models. Additionally, we demonstrate that the length of a linker between the ligand and the gA channel may be less important for gramicidin-based detection of monovalent compared to multivalent protein-ligand interactions. These studies collectively shed new light on the mechanism of protein-induced current alterations in bilayer recordings of gA derivatives, which may be important in the design of new gramicidin-based sensors.

  11. Vector rectangular-shape laser based on reduced graphene oxide interacting with a long fiber taper.

    PubMed

    Gao, Lei; Zhu, Tao; Huang, Wei; Zeng, Jing

    2014-10-01

    A vector dual-wavelength rectangular-shape laser (RSL) based on a long fiber taper deposited with reduced graphene oxide is proposed, where nonlinearity is enhanced due to a large evanescent-field-interacting length and strong field confinement of an 8 mm fiber taper with a waist diameter of 4 μm. Graphene flakes are deposited uniformly on the taper waist with light pressure effect, so this structure guarantees both excellent saturable absorption and high nonlinearity. The RSL with a repetition rate of 7.9 MHz shows fast polarization switching in two orthogonal polarization directions, and temporal and spectral characteristics are investigated. PMID:25322232

  12. [Graph-based interactive three-dimensional segmentation of magnetic resonance images of brain tumors].

    PubMed

    Li, Wei; Chen, Wu-fan

    2009-01-01

    We propose a graph-based three-dimensional (3D) algorithm to automatically segment brain tumors from magnetic resonance images (MRI). The algorithm uses minimum s/t cut criteria to obtain a global optimal result of objective function formed according to Markov Random Field Model and Maximum a posteriori (MAP-MRF) theory, and by combining the expectation-maximization (EM) algorithm to estimate the parameters of mixed Gaussian model for normal brain and tumor tissues. 3D segmentation results of brain tumors are fast achieved by our algorithm. The validation of the algorithm was tested and showed good accuracy and adaptation under simple interactions with the physicians. PMID:19218135

  13. Constraints on Neutron Star Radii Based on Chiral Effective Field Theory Interactions

    SciTech Connect

    Hebeler, K.; Lattimer, J. M.; Pethick, C. J.; Schwenk, A.

    2010-10-15

    We show that microscopic calculations based on chiral effective field theory interactions constrain the properties of neutron-rich matter below nuclear densities to a much higher degree than is reflected in commonly used equations of state. Combined with observed neutron star masses, our results lead to a radius R=9.7-13.9 km for a 1.4M{sub {center_dot}} star, where the theoretical range is due, in about equal amounts, to uncertainties in many-body forces and to the extrapolation to high densities.

  14. Design and realization of intelligent tourism service system based on voice interaction

    NASA Astrophysics Data System (ADS)

    Hu, Lei-di; Long, Yi; Qian, Cheng-yang; Zhang, Ling; Lv, Guo-nian

    2008-10-01

    Voice technology is one of the important contents to improve the intelligence and humanization of tourism service system. Combining voice technology, the paper concentrates on application needs and the composition of system to present an overall intelligent tourism service system's framework consisting of presentation layer, Web services layer, and tourism application service layer. On the basis, the paper further elaborated the implementation of the system and its key technologies, including intelligent voice interactive technology, seamless integration technology of multiple data sources, location-perception-based guides' services technology, and tourism safety control technology. Finally, according to the situation of Nanjing tourism, a prototype of Tourism Services System is realized.

  15. Fluid–Structure Interaction-Based Biomechanical Perception Model for Tactile Sensing

    PubMed Central

    Wang, Zheng

    2013-01-01

    The reproduced tactile sensation of haptic interfaces usually selectively reproduces a certain object attribute, such as the object's material reflected by vibration and its surface shape by a pneumatic nozzle array. Tactile biomechanics investigates the relation between responses to an external load stimulus and tactile perception and guides the design of haptic interface devices via a tactile mechanism. Focusing on the pneumatic haptic interface, we established a fluid–structure interaction-based biomechanical model of responses to static and dynamic loads and conducted numerical simulation and experiments. This model provides a theoretical basis for designing haptic interfaces and reproducing tactile textures. PMID:24260228

  16. Variational Calculation of K-pp with Chiral SU(3)-BASED bar KN Interaction

    NASA Astrophysics Data System (ADS)

    Doté, A.; Hyodo, T.; Weise, W.

    The prototype of a bar K nuclear cluster, K-pp, has been investigated using effective bar KN potentials based on chiral SU(3) dynamics. Variational calculation shows a bound state solution with shallow binding energy B(K-pp) = 20 ± 3 MeV and broad mesonic decay width Γ (bar KNN -> π YN) = 40 - 70 {MeV}. The bar KN(I = 0) pair in the K-pp system exhibits a similar structure as the Λ(1405). We have also estimated the dispersive correction, p-wave bar KN interaction, and two-nucleon absorption width.

  17. Variational Calculation of K-pp with Chiral SU(3)-BASED bar KN Interaction

    NASA Astrophysics Data System (ADS)

    Doté, A.; Hyodo, T.; Weise, W.

    2010-10-01

    The prototype of a bar K nuclear cluster, K-pp, has been investigated using effective bar KN potentials based on chiral SU(3) dynamics. Variational calculation shows a bound state solution with shallow binding energy B(K-pp) = 20 ± 3 MeV and broad mesonic decay width Γ (bar KNN -> π YN) = 40 - 70 {MeV}. The bar KN(I = 0) pair in the K-pp system exhibits a similar structure as the Λ(1405). We have also estimated the dispersive correction, p-wave bar KN interaction, and two-nucleon absorption width.

  18. High-throughput and multiplexed regeneration buffer scouting for affinity-based interactions.

    PubMed

    Geuijen, Karin P M; Schasfoort, Richard B; Wijffels, Rene H; Eppink, Michel H M

    2014-06-01

    Affinity-based analyses on biosensors depend partly on regeneration between measurements. Regeneration is performed with a buffer that efficiently breaks all interactions between ligand and analyte while maintaining the active binding site of the ligand. We demonstrated a regeneration buffer scouting using the combination of a continuous flow microspotter with a surface plasmon resonance imaging platform to simultaneously test 48 different regeneration buffers on a single biosensor. Optimal regeneration conditions are found within hours and consume little amounts of buffers, analyte, and ligand. This workflow can be applied to any ligand that is coupled through amine, thiol, or streptavidin immobilization.

  19. Interactive identification protocol based on a quantum public-key cryptosystem

    NASA Astrophysics Data System (ADS)

    Wu, Chenmiao; Yang, Li

    2014-11-01

    We propose two interactive identification protocols based on a general construction of quantum public-key cryptosystem. Basic protocol contains set-up phase and authentication phase. Participants do operation with quantum computing of Boolean function in two-round transmission of authentication phase. Basic one only ensures completeness and soundness, but leaks information about private-key. We modify basic protocol with random string and random Boolean permutation. After modification, both transmitted states in two-round transmission can be proved to be ultimate mixed states. No participant or attacker will get useful information about private-key by measuring such states. Modified protocol achieves property of zero-knowledge.

  20. [The study on the characters of membrane protein interaction and its network based on integrated intelligence method].

    PubMed

    Shen, Yizhen; Ding, Yongsheng; Hao, Kuangrong

    2011-08-01

    Membrane protein and its interaction network have become a novel research direction in bioinformatics. In this paper, a novel membrane protein interaction network simulator is proposed for system biology studies by integrated intelligence method including spectrum analysis, fuzzy K-Nearest Neighbor(KNN) algorithm and so on. We consider biological system as a set of active computational components interacting with each other and with the external environment. Then we can use the network simulator to construct membrane protein interaction networks. Based on the proposed approach, we found that the membrane protein interaction network almost has some dynamic and collective characteristics, such as small-world network, scale free distributing, and hierarchical module structure. These properties are similar to those of other extensively studied protein interaction networks. The present studies on the characteristics of the membrane protein interaction network will be valuable for its relatively biological and medical studies. PMID:21936357

  1. a Method to Estimate Temporal Interaction in a Conditional Random Field Based Approach for Crop Recognition

    NASA Astrophysics Data System (ADS)

    Diaz, P. M. A.; Feitosa, R. Q.; Sanches, I. D.; Costa, G. A. O. P.

    2016-06-01

    This paper presents a method to estimate the temporal interaction in a Conditional Random Field (CRF) based approach for crop recognition from multitemporal remote sensing image sequences. This approach models the phenology of different crop types as a CRF. Interaction potentials are assumed to depend only on the class labels of an image site at two consecutive epochs. In the proposed method, the estimation of temporal interaction parameters is considered as an optimization problem, whose goal is to find the transition matrix that maximizes the CRF performance, upon a set of labelled data. The objective functions underlying the optimization procedure can be formulated in terms of different accuracy metrics, such as overall and average class accuracy per crop or phenological stages. To validate the proposed approach, experiments were carried out upon a dataset consisting of 12 co-registered LANDSAT images of a region in southeast of Brazil. Pattern Search was used as the optimization algorithm. The experimental results demonstrated that the proposed method was able to substantially outperform estimates related to joint or conditional class transition probabilities, which rely on training samples.

  2. Maskiton: Interactive, Web-based Classification of Single-Particle Electron Microscopy Images

    PubMed Central

    Yoshioka, Craig; Lyumkis, Dmitry; Carragher, Bridget; Potter, Clinton S.

    2013-01-01

    Electron microscopy (EM) is an important tool for determining the composition, arrangement and structure of biological macromolecules. When studying structurally heterogeneous samples using EM, classification is a critical step toward achieving higher resolution and identifying biologically significant conformations. We have developed an interactive, web-based tool, called Maskiton, for creating custom masks and performing 2D classifications on aligned single-particle EM images. The Maskiton interface makes it considerably easier and faster to explore the significance of heterogeneity in single-particle datasets. Maskiton features include: resumable uploads to facilitate transfer of large datasets to the server, custom mask creation in the browser, continual progress updates, and interactive viewing of classification results. To demonstrate the value of this tool, we provide examples of its use on several experimental datasets and include analyses of the independent terminus mobility within the Ltn1 E3 ubiquitin ligase, the in-vitro assembly of 30S ribosomal subunits, and classification complexity reduction within Immunoglobulin M. This work also serves as a proof-of-concept for the development of future cross-platform, interactive user interfaces for electron microscopy data processing. PMID:23428431

  3. GIST: an interactive, GPU-based level set segmentation tool for 3D medical images.

    PubMed

    Cates, Joshua E; Lefohn, Aaron E; Whitaker, Ross T

    2004-09-01

    While level sets have demonstrated a great potential for 3D medical image segmentation, their usefulness has been limited by two problems. First, 3D level sets are relatively slow to compute. Second, their formulation usually entails several free parameters which can be very difficult to correctly tune for specific applications. The second problem is compounded by the first. This paper describes a new tool for 3D segmentation that addresses these problems by computing level-set surface models at interactive rates. This tool employs two important, novel technologies. First is the mapping of a 3D level-set solver onto a commodity graphics card (GPU). This mapping relies on a novel mechanism for GPU memory management. The interactive rates level-set PDE solver give the user immediate feedback on the parameter settings, and thus users can tune free parameters and control the shape of the model in real time. The second technology is the use of intensity-based speed functions, which allow a user to quickly and intuitively specify the behavior of the deformable model. We have found that the combination of these interactive tools enables users to produce good, reliable segmentations. To support this observation, this paper presents qualitative results from several different datasets as well as a quantitative evaluation from a study of brain tumor segmentations. PMID:15450217

  4. Chemical Interactions of Barium-Calcium-Aluminosilicate Based Sealing Glasses with Oxidation Resistant Alloys

    SciTech Connect

    Yang, Z Gary ); Stevenson, Jeffry W. ); Meinhardt, Kerry D. )

    2003-04-04

    In most planar SOFC stack designs, the interconnect, which is typically made from an oxidation resistant alloy, potentially including austenitic chromia-forming, ferritic chromia-forming, and alumina-forming alloys, has to be hermitically sealed to its adjacent components, usually by a sealing glass. To maintain the structural stability and minimize the degradation of stack performance, the sealing glass must be chemically compatible with the alloy used for the interconnect. In this work, Nicrofer6025, AISI446 and a Fecralloy were selected as examples of austenitic chromia-forming, ferritic chromia-forming, and alumina-forming alloys, respectively. Their chemical compatibility with a barium-calcium-aluminosilicate (BCAS) based glass, specifically developed as a sealant in SOFC stacks, was evaluated. It was found that the BCAS sealing glass interacted chemically with both the chromia-forming alloys and the alumina-forming alloys. The extent and nature of the interactions and their final products depended on the matrix alloy compositions, the exposure conditions and/or proximity of the glass/alloy interface to the ambient air. These interactions and their mechanisms will be discussed with the assistance of thermodynamic modeling.

  5. A Context-Aware Interactive Health Care System Based on Ontology and Fuzzy Inference.

    PubMed

    Chiang, Tzu-Chiang; Liang, Wen-Hua

    2015-09-01

    In the present society, most families are double-income families, and as the long-term care is seriously short of manpower, it contributes to the rapid development of tele-homecare equipment, and the smart home care system gradually emerges, which assists the elderly or patients with chronic diseases in daily life. This study aims at interaction between persons under care and the system in various living spaces, as based on motion-sensing interaction, and the context-aware smart home care system is proposed. The system stores the required contexts in knowledge ontology, including the physiological information and environmental information of the person under care, as the database of decision. The motion-sensing device enables the person under care to interact with the system through gestures. By the inference mechanism of fuzzy theory, the system can offer advice and rapidly execute service, thus, implementing the EHA. In addition, the system is integrated with the functions of smart phone, tablet PC, and PC, in order that users can implement remote operation and share information regarding the person under care. The health care system constructed in this study enables the decision making system to probe into the health risk of each person under care; then, from the view of preventive medicine, and through a composing system and simulation experimentation, tracks the physiological trend of the person under care, and provides early warning service, thus, promoting smart home care. PMID:26265236

  6. GGIP: Structure and sequence-based GPCR-GPCR interaction pair predictor.

    PubMed

    Nemoto, Wataru; Yamanishi, Yoshihiro; Limviphuvadh, Vachiranee; Saito, Akira; Toh, Hiroyuki

    2016-09-01

    G Protein-Coupled Receptors (GPCRs) are important pharmaceutical targets. More than 30% of currently marketed pharmaceutical medicines target GPCRs. Numerous studies have reported that GPCRs function not only as monomers but also as homo- or hetero-dimers or higher-order molecular complexes. Many GPCRs exert a wide variety of molecular functions by forming specific combinations of GPCR subtypes. In addition, some GPCRs are reportedly associated with diseases. GPCR oligomerization is now recognized as an important event in various biological phenomena, and many researchers are investigating this subject. We have developed a support vector machine (SVM)-based method to predict interacting pairs for GPCR oligomerization, by integrating the structure and sequence information of GPCRs. The performance of our method was evaluated by the Receiver Operating Characteristic (ROC) curve. The corresponding area under the curve was 0.938. As far as we know, this is the only prediction method for interacting pairs among GPCRs. Our method could accelerate the analyses of these interactions, and contribute to the elucidation of the global structures of the GPCR networks in membranes. Proteins 2016; 84:1224-1233. © 2016 Wiley Periodicals, Inc. PMID:27191053

  7. The research-design interaction: lessons learned from an evidence-based design studio.

    PubMed

    Haq, Saif; Pati, Debajyoti

    2010-01-01

    As evidence-based design (EBD) emerges as a model of design practice, considerable attention has been given to its research component. However, this overshadows another essential component of EBD-the change agent, namely the designer. EBD introduced a new skill set to the practitioner: the ability to interact with scientific evidence. Industry sources suggest adoption of the EBD approach across a large number of design firms. How comfortable are these designers in integrating research with design decision making? Optimizing the interaction between the primary change agent (the designer) and the evidence is crucial to producing the desired outcomes. Preliminary to examining this question, an architectural design studio was used as a surrogate environment to examine how designers interact with evidence. Twelve students enrolled in a healthcare EBD studio during the spring of 2009. A three-phase didactic structure was adopted: knowing a hospital, knowing the evidence, and designing with knowledge and evidence. Products of the studio and questionnaire responses from the students were used as the data for analysis. The data suggest that optimization of the research-design relationship warrants consideration in four domains: (1) a knowledge structure that is easy to comprehend; (2) phase-complemented representation of evidence; (3) access to context and precedence information; and (4) a designer-friendly vocabulary.

  8. "Turn off-on" fluorescent sensor for platinum drugs-DNA interactions based on quantum dots.

    PubMed

    Zhao, Dan; Li, Jiaotian; Yang, Tianming; He, Zhike

    2014-02-15

    A "turn off-on" mode has been established by using the interaction between platinum anticancer drugs and DNA as input signal and the fluorescence reversible change of quantum dots (QDs) as output signal. The QDs fluorescence can be quenched by platinum anticancer drugs via photo-induced electron transfer process, rendering the system into "turn off" status, and the system can then be "turned on" when fluorescence is restored due to covalent conjugation between DNA and platinum anticancer drugs. This dual-directional fluorescence change realized the detection of cisplatin and DNA, overcoming the selectivity problem commonly existed in the traditional mono-directional fluorescence detection mode. The reversible fluorescent "turn off-on" mode has been further employed to study the interactions between DNA and different platinum anticancer drugs (cisplatin, oxaliplatin and carboplatin). Furthermore, the impacts of different types of DNAs (different in base sequence, chain length and ssDNA/dsDNA) on the mode are also explored. This simple, fast and convenient spectroscopic method owns promising applications in the study on interaction between medical molecules and DNA, and in biochemical detections.

  9. An interactive system for creating object models from range data based on simulated annealing

    SciTech Connect

    Hoff, W.A.; Hood, F.W.; King, R.H.

    1997-05-01

    In hazardous applications such as remediation of buried waste and dismantlement of radioactive facilities, robots are an attractive solution. Sensing to recognize and locate objects is a critical need for robotic operations in unstructured environments. An accurate 3-D model of objects in the scene is necessary for efficient high level control of robots. Drawing upon concepts from supervisory control, the authors have developed an interactive system for creating object models from range data, based on simulated annealing. Site modeling is a task that is typically performed using purely manual or autonomous techniques, each of which has inherent strengths and weaknesses. However, an interactive modeling system combines the advantages of both manual and autonomous methods, to create a system that has high operator productivity as well as high flexibility and robustness. The system is unique in that it can work with very sparse range data, tolerate occlusions, and tolerate cluttered scenes. The authors have performed an informal evaluation with four operators on 16 different scenes, and have shown that the interactive system is superior to either manual or automatic methods in terms of task time and accuracy.

  10. Interaction model between capsule robot and intestine based on nonlinear viscoelasticity.

    PubMed

    Zhang, Cheng; Liu, Hao; Tan, Renjia; Li, Hongyi

    2014-03-01

    Active capsule endoscope could also be called capsule robot, has been developed from laboratory research to clinical application. However, the system still has defects, such as poor controllability and failing to realize automatic checks. The imperfection of the interaction model between capsule robot and intestine is one of the dominating reasons causing the above problems. A model is hoped to be established for the control method of the capsule robot in this article. It is established based on nonlinear viscoelasticity. The interaction force of the model consists of environmental resistance, viscous resistance and Coulomb friction. The parameters of the model are identified by experimental investigation. Different methods are used in the experiment to obtain different values of the same parameter at different velocities. The model is proved to be valid by experimental verification. The achievement in this article is the attempted perfection of an interaction model. It is hoped that the model can optimize the control method of the capsule robot in the future.

  11. An object-based interaction framework for the operation of multiple field robots

    NASA Astrophysics Data System (ADS)

    Jones, Henry Lee, II

    Today's field robots, such as the Sojourner Mars rover or the Predator unmanned aerial vehicle, work alone to accomplish dirty, dull, or dangerous missions. Plans for the next generation of robotic systems call for multiple field robots to conduct these missions cooperatively under the direction of a single operator. This research examines the role of the operator in multiple-robot missions and creates a human-robot interaction framework that supports this role---a vital step toward the successful deployment of these future robots. In a typical user-centered approach to the development of a human-robot interaction framework, the work practices of the robot operator would be observed, characterized, and integrated into the design. Unfortunately, there are no settings where one can study the operator of multiple robots at work because no such systems have been deployed. As an alternative, this research incorporated a surrogate setting that could be used to inform the early interaction design of multiple-robot systems. Police Special Weapons and Tactics (SWAT) teams were chosen as this setting, and an ethnographic study of SWAT commanders was conducted. Concepts from the interdisciplinary study of geographically distributed work, including common ground, shared mental models, and information sharing, were used to understand and characterize the ethnographic observations. Using lessons learned from the surrogate setting, an implementation of a new human-robot interaction framework was demonstrated on the Micro Autonomous Rovers (MAR) platform in the Aerospace Robotics Laboratory at Stanford University. This interaction framework, which is based on the sensing and manipulation of physical objects by the robots, was derived from the finding that references to physical objects serve as an essential communication and coordination tool for SWAT commanders. A human-computer interface that utilizes direct manipulation techniques and three-dimensional computer graphics was

  12. Interactions of selected policy-stakeholder groups implementing middle school science standards-based systemic reform

    NASA Astrophysics Data System (ADS)

    Boydston, Theodore Lewis, III

    1999-12-01

    This research is an interpretive inquiry into the views and interactions of stakeholders in a district office of a large school system responsible for implementing science systemic reform. Three major sources of data were used in this research: surveys, stakeholder interviews, and autobiographical reflection on experiences as part of the reform initiative. This is an emergent research that is evident in the shift in the focus of research questions and their supporting assumptions during the research. The literature review describes standards-based reform, arguments about reform, and the major dimensions of reform research. The results of the survey of stakeholders revealed that the views among the stakeholder groups followed the system hierarchy and could be separated into two large groups; staff responsible for implementing the reform initiative and the other stakeholder groups. Each of these groups was composed of identifiable subgroups. The interviews with stakeholders revealed how their different attitudes, values, and beliefs frame the context of stakeholder interactions. An over reliance on an authoritarian view of decision-making leaves many stakeholders feeling disempowered and critical of others. This atmosphere promotes blaming, which inhibits collegial interaction. Work experiences in the district office revealed how stakeholders' unaddressed assumptions, attitudes, and beliefs promote fragmentation and competition rather than cooperation. Hidden assumptions about management by control and mandate, competition, and teaching and learning appear to restrain the interactions of stakeholders. Support of the National Science Education Standards was identified as a unifying view among the stakeholders, yet the professional development program focused on content and pedagogical knowledge without addressing stakeholder concerns and beliefs about the intended constructivist framework of the program. Stakeholders' attitudes about the issue of equity demonstrated

  13. MPQ-cytometry: a magnetism-based method for quantification of nanoparticle-cell interactions

    NASA Astrophysics Data System (ADS)

    Shipunova, V. O.; Nikitin, M. P.; Nikitin, P. I.; Deyev, S. M.

    2016-06-01

    Precise quantification of interactions between nanoparticles and living cells is among the imperative tasks for research in nanobiotechnology, nanotoxicology and biomedicine. To meet the challenge, a rapid method called MPQ-cytometry is developed, which measures the integral non-linear response produced by magnetically labeled nanoparticles in a cell sample with an original magnetic particle quantification (MPQ) technique. MPQ-cytometry provides a sensitivity limit 0.33 ng of nanoparticles and is devoid of a background signal present in many label-based assays. Each measurement takes only a few seconds, and no complicated sample preparation or data processing is required. The capabilities of the method have been demonstrated by quantification of interactions of iron oxide nanoparticles with eukaryotic cells. The total amount of targeted nanoparticles that specifically recognized the HER2/neu oncomarker on the human cancer cell surface was successfully measured, the specificity of interaction permitting the detection of HER2/neu positive cells in a cell mixture. Moreover, it has been shown that MPQ-cytometry analysis of a HER2/neu-specific iron oxide nanoparticle interaction with six cell lines of different tissue origins quantitatively reflects the HER2/neu status of the cells. High correlation of MPQ-cytometry data with those obtained by three other commonly used in molecular and cell biology methods supports consideration of this method as a prospective alternative for both quantifying cell-bound nanoparticles and estimating the expression level of cell surface antigens. The proposed method does not require expensive sophisticated equipment or highly skilled personnel and it can be easily applied for rapid diagnostics, especially under field conditions.Precise quantification of interactions between nanoparticles and living cells is among the imperative tasks for research in nanobiotechnology, nanotoxicology and biomedicine. To meet the challenge, a rapid method

  14. MPQ-cytometry: a magnetism-based method for quantification of nanoparticle-cell interactions.

    PubMed

    Shipunova, V O; Nikitin, M P; Nikitin, P I; Deyev, S M

    2016-07-01

    Precise quantification of interactions between nanoparticles and living cells is among the imperative tasks for research in nanobiotechnology, nanotoxicology and biomedicine. To meet the challenge, a rapid method called MPQ-cytometry is developed, which measures the integral non-linear response produced by magnetically labeled nanoparticles in a cell sample with an original magnetic particle quantification (MPQ) technique. MPQ-cytometry provides a sensitivity limit 0.33 ng of nanoparticles and is devoid of a background signal present in many label-based assays. Each measurement takes only a few seconds, and no complicated sample preparation or data processing is required. The capabilities of the method have been demonstrated by quantification of interactions of iron oxide nanoparticles with eukaryotic cells. The total amount of targeted nanoparticles that specifically recognized the HER2/neu oncomarker on the human cancer cell surface was successfully measured, the specificity of interaction permitting the detection of HER2/neu positive cells in a cell mixture. Moreover, it has been shown that MPQ-cytometry analysis of a HER2/neu-specific iron oxide nanoparticle interaction with six cell lines of different tissue origins quantitatively reflects the HER2/neu status of the cells. High correlation of MPQ-cytometry data with those obtained by three other commonly used in molecular and cell biology methods supports consideration of this method as a prospective alternative for both quantifying cell-bound nanoparticles and estimating the expression level of cell surface antigens. The proposed method does not require expensive sophisticated equipment or highly skilled personnel and it can be easily applied for rapid diagnostics, especially under field conditions.

  15. Amperometric glucose biosensor based on glucose oxidase-lectin biospecific interaction.

    PubMed

    Zhang, Juanjuan; Wang, Chengyan; Chen, Shihong; Yuan, Dehua; Zhong, Xia

    2013-03-01

    An amperometric glucose biosensor based on high electrocatalytic activity of gold/platinum hybrid functionalized zinc oxide nanorods (Pt-Au@ZnONRs) and glucose oxidase (GOx)-lectin biospecific interaction was proposed. The Pt-Au@ZnONRs, which were prepared through a multiple-step chemosynthesis, were modified onto the surface of glassy carbon electrode (GCE) by a simple casting method due to the excellent film forming ability of the Pt-Au@ZnONRs suspension. Subsequently, a layer of porous gold nanocrystals (pAu) film was assembled onto the Pt-Au@ZnONRs film by immersing the electrode in HAuCl(4) solution to perform the electrochemical deposition at a constant potential of -0.2V. Following that, Concanavalin A (ConA) was immobilized onto the surface of pAu film through physical adsorption and covalent binding interactions between gold nanomaterials and the amino groups or thiol groups of ConA protein. Finally, the GOx was easily immobilized on the ConA/pAu/Pt-Au@ZnONRs/GCE by the biospecific interaction between GOx and ConA. The Pt-Au@ZnONRs composites were characterized using transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS). Cyclic voltammetry (CV) was used to characterize the assembly process of the modified electrode. Proposed biosensor showed a high electrocatalytic activity to the glucose with a wide linear range covering from 1.8 μM to 5.15 mM, a low detection limit of 0.6 μM and a low apparent Michaelis-Menten constant (K(M)(app)) of 0.41 mM. Furthermore, the biosensor exhibited good reproducibility and long-term stability, as well as high selectivity. The integration of Pt-Au@ZnONRs and GOx-lectin biospecific interaction would offer potential promise for the fabrication of biosensors and biocatalysts.

  16. Interaction of key pathways in sorafenib-treated hepatocellular carcinoma based on a PCR-array

    PubMed Central

    Liu, Yan; Wang, Ping; Li, Shijie; Yin, Linan; Shen, Haiyang; Liu, Ruibao

    2015-01-01

    This study aimed to identify the key pathways and to explore the mechanism of sorafenib in inhibiting hepatocellular carcinoma (HCC). The gene expression profile of GSE33621, including 6 sorafenib treated group and 6 control samples, was downloaded from the GEO (Gene Expression Omnibus) database. The differentially expressed genes (DEGs) in HCC samples were screened using the ΔΔCt method with the homogenized internal GAPDH. Also, the functions and pathways of DEGs were analyzed using the DAVID. Moreover, the significant pathways of DEGs that involved in HCC were analyzed based on the Latent pathway identification analysis (LPIA). A total of 44 down-regulated DEGs were selected in HCC samples. Also, there were 84 biological pathways that these 44 DEGs involved in. Also, LPIA showed that Osteoclast differentiation and hsa04664-Fc epsilon RI signaling pathway was the most significant interaction pathways. Moreover, Apoptosis, Toll-like receptor signaling pathway, Chagas disease, and T cell receptor signaling pathway were the significant pathways that interacted with hsa04664. In addition, DEGs such as AKT1 (v-akt murine thymoma viral oncogene homolog 1), TNF (tumor necrosis factor), SYK (spleen tyrosine kinase), and PIK3R1 (phosphoinositide-3-kinase, regulatory subunit 1 (alpha)) were the common genes that involved in the significant pathways. Several pathway interaction pairs that caused by several downregulated genes such as SYK, PI3K, AKT1, and TNF, were identified play curial role in sorafenib treated HCC. Sorafenib played important inhibition roles in HCC by affecting a complicate pathway interaction network. PMID:26045814

  17. FRIAA: A FRamework for Web-based Interactive Astronomy Analysis using AMQP Messaging

    NASA Astrophysics Data System (ADS)

    Young, M. D.; Gopu, A.; Hayashi, S.; Cox, J. A.

    2013-10-01

    This paper describes a web-based FRamework for Interactive Astronomy Analysis (FRIAA) being developed as part of the One Degree Imager - Pipeline, Portal, and Archive (ODI-PPA) Science Gateway. The framework provides astronomers with the ability to invoke data processing modules including IRAF and SExtractor on large data within their ODI-PPA web account without requiring them to download the data or to access remote compute resources. Currently available functionality includes contour plots, point source detection and photometry, surface photometry, and catalog source matching. The web browser front-end developed using the Zend PHP platform and the Bootstrap library makes Remote Procedure Calls (RPC) to the back-end modules using AMQP based messaging. The compute-intensive data processing codes are executed on powerful and dedicated nodes on a compute cluster at Indiana University.

  18. Robust interacting multiple model algorithms based on multi-sensor fusion criteria

    NASA Astrophysics Data System (ADS)

    Zhou, Weidong; Liu, Mengmeng

    2016-01-01

    This paper is concerned with the state estimation problem for a class of Markov jump linear discrete-time stochastic systems. Three novel interacting multiple model (IMM) algorithms are proposed based on the H∞ technique, the correlation among estimation errors of mode-conditioned filters and the multi-sensor optimal information fusion criteria. Mode probabilities in the novel algorithms are derived based on the error cross-covariances instead of likelihood functions. The H∞ technique taking the place of Kalman filtering is applied to enhance the robustness of the new approaches. Theoretical analysis and Monte Carlo simulation results indicate that the proposed algorithms are effective and have an obvious advantage in velocity estimation when tracking a maneuvering target.

  19. Docking of ethanamine Schiff base imines & metal (II) complexes, cytotoxicity & DNA interaction studies

    NASA Astrophysics Data System (ADS)

    Sujarani, S.; Ramu, A.

    2015-01-01

    The present study deals with a series of biologically and stereo chemically important novel transition metal (II) Schiff base chelates. The Cu (II), Co (II), Mn (II) and Ni (II) ions containing complexes were synthesized by using diphenylethanamine and 2-hydroxy/2, 4-dihydroxy/2-hydroxy-4-methoxybenzaldehydes. The synthesized complexes were characterized using micro analytical, IR, NMR, ESI-Mass, UV-Visible, cyclic voltammetry and the EPR spectroscopic techniques. The spectral data evidenced the action of ligands as a neutral bidentate Schiff bases, coordinating through azomethine nitrogen and oxygen atom of hydroxyl group. The interaction studies revealed the groove binding nature of complexes with CT-DNA. The ligand and synthesized metal complexes showed cytotoxicity against cancerous cells. The strong binding affinity of the imine and metal complexes was also confirmed by molecular docking studies.

  20. Structure-Based Design of Inhibitors of Protein–Protein Interactions: Mimicking Peptide Binding Epitopes

    PubMed Central

    Pelay-Gimeno, Marta; Glas, Adrian; Koch, Oliver; Grossmann, Tom N

    2015-01-01

    Protein–protein interactions (PPIs) are involved at all levels of cellular organization, thus making the development of PPI inhibitors extremely valuable. The identification of selective inhibitors is challenging because of the shallow and extended nature of PPI interfaces. Inhibitors can be obtained by mimicking peptide binding epitopes in their bioactive conformation. For this purpose, several strategies have been evolved to enable a projection of side chain functionalities in analogy to peptide secondary structures, thereby yielding molecules that are generally referred to as peptidomimetics. Herein, we introduce a new classification of peptidomimetics (classes A–D) that enables a clear assignment of available approaches. Based on this classification, the Review summarizes strategies that have been applied for the structure-based design of PPI inhibitors through stabilizing or mimicking turns, β-sheets, and helices. PMID:26119925

  1. Mapping Lysine Acetyltransferase-Ligand Interactions by Activity-Based Capture.

    PubMed

    Montgomery, D C; Meier, J L

    2016-01-01

    Changes in reversible protein acetylation mediate many key aspects of genomic regulation and enzyme function. The catalysts for this posttranslational modification, lysine acetyltransferases (KATs), have been difficult targets for characterization due to their complex architecture and challenging reconstitution. To address this challenge, here we describe methods to profile endogenous KAT activities using activity-based probes. This method facilitates the targeted analysis of several cellular KATs and can be used to study their interactions with many different types of ligands, including acyl-CoA metabolites. This competitive activity-based capture approach provides a method to assess the selectivity of ligands for different KAT families in complex proteomic settings, and thus has the potential to offer substantial insights into the regulation of cellular KAT function. PMID:27423859

  2. Theory-based evaluation of a comprehensive Latino education initiative: an interactive evaluation approach.

    PubMed

    Nesman, Teresa M; Batsche, Catherine; Hernandez, Mario

    2007-08-01

    Latino student access to higher education has received significant national attention in recent years. This article describes a theory-based evaluation approach used with ENLACE of Hillsborough, a 5-year project funded by the W.K. Kellogg Foundation for the purpose of increasing Latino student graduation from high school and college. Theory-based evaluation guided planning, implementation as well as evaluation through the process of developing consensus on the Latino population of focus, adoption of culturally appropriate principles and values to guide the project, and identification of strategies to reach, engage, and impact outcomes for Latino students and their families. The approach included interactive development of logic models that focused the scope of interventions and guided evaluation designs for addressing three stages of the initiative. Challenges and opportunities created by the approach are discussed, as well as ways in which the initiative impacted Latino students and collaborating educational institutions.

  3. The Generative Effects of Graphic Organizers with Computer-Based Interactive Video by Global and Analytic Thinkers.

    ERIC Educational Resources Information Center

    Kenny, Richard F.; And Others

    Computer-based interactive video (CBIV), a hypermedia system that uses the power of the computer to support student interaction with various audio and visual media, can pose such problems for students as the potential for learner disorientation and cognitive overload. Intended to explore the applicability of Wittrock's generative learning…

  4. Student Interaction and Knowledge Construction in Case-Based Learning in Educational Psychology Using Online Discussions: The Role of Structure

    ERIC Educational Resources Information Center

    Pena-Shaff, Judith; Altman, William

    2015-01-01

    We analyzed students' patterns of participation, interaction and knowledge construction in asynchronous online case-based discussions in two Educational Psychology classes with different participation and interaction guidelines. We conducted quantitative analyses of the outlines of postings and transcripts of online messages from these group…

  5. SIGI: Field Test and Evaluation of a Computer-Based System of Interactive Guidance and Information. Summary of Final Report.

    ERIC Educational Resources Information Center

    Chapman, Warren; And Others

    The computer-based System of Interactive Guidance and Information (SIGI) was field tested and evaluated at five community colleges and one university. Developed by Educational Testing Service, SIGI assists students in the process of informed and rational career decision making. Interacting at a cathode-ray tube terminal with a computer, students…

  6. SIGI: Field Test and Evaluation of a Computer-Based System of Interactive Guidance and Information. Volume I: Report.

    ERIC Educational Resources Information Center

    Chapman, Warren; And Others

    The computer-based System of Interactive Guidance and Information (SIGI) was field tested and evaluated at five community colleges and one university. Developed by Educational Testing Service, SIGI assists students in the process of informed and rational career decision making. Interacting at a cathode-ray tube terminal with a computer, students…

  7. A 3D-Video-Based Computerized Analysis of Social and Sexual Interactions in Rats

    PubMed Central

    Matsumoto, Jumpei; Urakawa, Susumu; Takamura, Yusaku; Malcher-Lopes, Renato; Hori, Etsuro; Tomaz, Carlos; Ono, Taketoshi; Nishijo, Hisao

    2013-01-01

    A large number of studies have analyzed social and sexual interactions between rodents in relation to neural activity. Computerized video analysis has been successfully used to detect numerous behaviors quickly and objectively; however, to date only 2D video recording has been used, which cannot determine the 3D locations of animals and encounters difficulties in tracking animals when they are overlapping, e.g., when mounting. To overcome these limitations, we developed a novel 3D video analysis system for examining social and sexual interactions in rats. A 3D image was reconstructed by integrating images captured by multiple depth cameras at different viewpoints. The 3D positions of body parts of the rats were then estimated by fitting skeleton models of the rats to the 3D images using a physics-based fitting algorithm, and various behaviors were recognized based on the spatio-temporal patterns of the 3D movements of the body parts. Comparisons between the data collected by the 3D system and those by visual inspection indicated that this system could precisely estimate the 3D positions of body parts for 2 rats during social and sexual interactions with few manual interventions, and could compute the traces of the 2 animals even during mounting. We then analyzed the effects of AM-251 (a cannabinoid CB1 receptor antagonist) on male rat sexual behavior, and found that AM-251 decreased movements and trunk height before sexual behavior, but increased the duration of head-head contact during sexual behavior. These results demonstrate that the use of this 3D system in behavioral studies could open the door to new approaches for investigating the neuroscience of social and sexual behavior. PMID:24205238

  8. Nuclear Spin Relaxation and Molecular Interactions of a Novel Triazolium-Based Ionic Liquid

    SciTech Connect

    Allen, Jesse J; Schneider, Yanika; Kail, Brian W; Luebke, David R; Nulwala, Hunaid; Damodaran, Krishnan

    2013-04-11

    Nuclear spin relaxation, small-angle X-ray scattering (SAXS), and electrospray ionization mass spectrometry (ESI-MS) techniques are used to determine supramolecular arrangement of 3-methyl-1-octyl-4-phenyl-1H-triazol-1,2,3-ium bis(trifluoromethanesulfonyl)imide [OMPhTz][Tf{sub 2}N], an example of a triazolium-based ionic liquid. The results obtained showed first-order thermodynamic dependence for nuclear spin relaxation of the anion. First-order relaxation dependence is interpreted as through-bond dipolar relaxation. Greater than first-order dependence was found in the aliphatic protons, aromatic carbons (including nearest neighbors), and carbons at the end of the aliphatic tail. Greater than first order thermodynamic dependence of spin relaxation rates is interpreted as relaxation resulting from at least one mechanism additional to through-bond dipolar relaxation. In rigid portions of the cation, an additional spin relaxation mechanism is attributed to anisotropic effects, while greater than first order thermodynamic dependence of the octyl side chain’s spin relaxation rates is attributed to cation–cation interactions. Little interaction between the anion and the cation was observed by spin relaxation studies or by ESI-MS. No extended supramolecular structure was observed in this study, which was further supported by MS and SAXS. nuclear Overhauser enhancement (NOE) factors are used in conjunction with spin–lattice relaxation time (T{sub 1}) measurements to calculate rotational correlation times for C–H bonds (the time it takes for the vector represented by the bond between the two atoms to rotate by one radian). The rotational correlation times are used to represent segmental reorientation dynamics of the cation. A combination of techniques is used to determine the segmental interactions and dynamics of this example of a triazolium-based ionic liquid.

  9. A 3D-video-based computerized analysis of social and sexual interactions in rats.

    PubMed

    Matsumoto, Jumpei; Urakawa, Susumu; Takamura, Yusaku; Malcher-Lopes, Renato; Hori, Etsuro; Tomaz, Carlos; Ono, Taketoshi; Nishijo, Hisao

    2013-01-01

    A large number of studies have analyzed social and sexual interactions between rodents in relation to neural activity. Computerized video analysis has been successfully used to detect numerous behaviors quickly and objectively; however, to date only 2D video recording has been used, which cannot determine the 3D locations of animals and encounters difficulties in tracking animals when they are overlapping, e.g., when mounting. To overcome these limitations, we developed a novel 3D video analysis system for examining social and sexual interactions in rats. A 3D image was reconstructed by integrating images captured by multiple depth cameras at different viewpoints. The 3D positions of body parts of the rats were then estimated by fitting skeleton models of the rats to the 3D images using a physics-based fitting algorithm, and various behaviors were recognized based on the spatio-temporal patterns of the 3D movements of the body parts. Comparisons between the data collected by the 3D system and those by visual inspection indicated that this system could precisely estimate the 3D positions of body parts for 2 rats during social and sexual interactions with few manual interventions, and could compute the traces of the 2 animals even during mounting. We then analyzed the effects of AM-251 (a cannabinoid CB1 receptor antagonist) on male rat sexual behavior, and found that AM-251 decreased movements and trunk height before sexual behavior, but increased the duration of head-head contact during sexual behavior. These results demonstrate that the use of this 3D system in behavioral studies could open the door to new approaches for investigating the neuroscience of social and sexual behavior. PMID:24205238

  10. Prediction of Drug-Target Interactions and Drug Repositioning via Network-Based Inference

    PubMed Central

    Jiang, Jing; Lu, Weiqiang; Li, Weihua; Liu, Guixia; Zhou, Weixing; Huang, Jin; Tang, Yun

    2012-01-01

    Drug-target interaction (DTI) is the basis of drug discovery and design. It is time consuming and costly to determine DTI experimentally. Hence, it is necessary to develop computational methods for the prediction of potential DTI. Based on complex network theory, three supervised inference methods were developed here to predict DTI and used for drug repositioning, namely drug-based similarity inference (DBSI), target-based similarity inference (TBSI) and network-based inference (NBI). Among them, NBI performed best on four benchmark data sets. Then a drug-target network was created with NBI based on 12,483 FDA-approved and experimental drug-target binary links, and some new DTIs were further predicted. In vitro assays confirmed that five old drugs, namely montelukast, diclofenac, simvastatin, ketoconazole, and itraconazole, showed polypharmacological features on estrogen receptors or dipeptidyl peptidase-IV with half maximal inhibitory or effective concentration ranged from 0.2 to 10 µM. Moreover, simvastatin and ketoconazole showed potent antiproliferative activities on human MDA-MB-231 breast cancer cell line in MTT assays. The results indicated that these methods could be powerful tools in prediction of DTIs and drug repositioning. PMID:22589709

  11. Development of interactive patient-based multimedia computer programs in veterinary orthopedic radiology.

    PubMed

    Kraft, S L; Hoskinson, J J; Mussman, J M; Michaels, W E; McLaughlin, R; Gaughan, E M; Roush, J K

    1998-01-01

    Three computerized multimedia programs on large and small animal veterinary orthopedic radiology were developed and implemented for the radiology curriculum as an alternative to traditional film-based laboratory learning. Programs utilized "hot words" (colored text words that displayed an overlaid image label that highlighted lesions) and interactive quizzes which responded appropriately to selected answers. "Hot words" helped students develop confidence in accurate lesion detection and the interactive quizzes transformed learning from a passive to an active process. Multiple examples were provided for reinforcement and concepts were incorporated from other clinical disciplines for curriculum integration. Programs were written using a presentation software program, Toolbook for DOS based platform, and contained radiographic images made by laser-scanning digitization. Multiple students could simultaneously access the programs through a network server. These pilot programs were implemented successfully and computerized multimedia presentation proved to be well suited to teaching radiology. Development of the programs required attention to a number of hardware, software, time and cost factors. PMID:9548135

  12. UTOPIAN: user-driven topic modeling based on interactive nonnegative matrix factorization.

    PubMed

    Choo, Jaegul; Lee, Changhyun; Reddy, Chandan K; Park, Haesun

    2013-12-01

    Topic modeling has been widely used for analyzing text document collections. Recently, there have been significant advancements in various topic modeling techniques, particularly in the form of probabilistic graphical modeling. State-of-the-art techniques such as Latent Dirichlet Allocation (LDA) have been successfully applied in visual text analytics. However, most of the widely-used methods based on probabilistic modeling have drawbacks in terms of consistency from multiple runs and empirical convergence. Furthermore, due to the complicatedness in the formulation and the algorithm, LDA cannot easily incorporate various types of user feedback. To tackle this problem, we propose a reliable and flexible visual analytics system for topic modeling called UTOPIAN (User-driven Topic modeling based on Interactive Nonnegative Matrix Factorization). Centered around its semi-supervised formulation, UTOPIAN enables users to interact with the topic modeling method and steer the result in a user-driven manner. We demonstrate the capability of UTOPIAN via several usage scenarios with real-world document corpuses such as InfoVis/VAST paper data set and product review data sets.

  13. Label Propagation Prediction of Drug-Drug Interactions Based on Clinical Side Effects.

    PubMed

    Zhang, Ping; Wang, Fei; Hu, Jianying; Sorrentino, Robert

    2015-01-01

    Drug-drug interaction (DDI) is an important topic for public health, and thus attracts attention from both academia and industry. Here we hypothesize that clinical side effects (SEs) provide a human phenotypic profile and can be translated into the development of computational models for predicting adverse DDIs. We propose an integrative label propagation framework to predict DDIs by integrating SEs extracted from package inserts of prescription drugs, SEs extracted from FDA Adverse Event Reporting System, and chemical structures from PubChem. Experimental results based on hold-out validation demonstrated the effectiveness of the proposed algorithm. In addition, the new algorithm also ranked drug information sources based on their contributions to the prediction, thus not only confirming that SEs are important features for DDI prediction but also paving the way for building more reliable DDI prediction models by prioritizing multiple data sources. By applying the proposed algorithm to 1,626 small-molecule drugs which have one or more SE profiles, we obtained 145,068 predicted DDIs. The predicted DDIs will help clinicians to avoid hazardous drug interactions in their prescriptions and will aid pharmaceutical companies to design large-scale clinical trial by assessing potentially hazardous drug combinations. All data sets and predicted DDIs are available at http://astro.temple.edu/~tua87106/ddi.html. PMID:26196247

  14. Label Propagation Prediction of Drug-Drug Interactions Based on Clinical Side Effects.

    PubMed

    Zhang, Ping; Wang, Fei; Hu, Jianying; Sorrentino, Robert

    2015-01-01

    Drug-drug interaction (DDI) is an important topic for public health, and thus attracts attention from both academia and industry. Here we hypothesize that clinical side effects (SEs) provide a human phenotypic profile and can be translated into the development of computational models for predicting adverse DDIs. We propose an integrative label propagation framework to predict DDIs by integrating SEs extracted from package inserts of prescription drugs, SEs extracted from FDA Adverse Event Reporting System, and chemical structures from PubChem. Experimental results based on hold-out validation demonstrated the effectiveness of the proposed algorithm. In addition, the new algorithm also ranked drug information sources based on their contributions to the prediction, thus not only confirming that SEs are important features for DDI prediction but also paving the way for building more reliable DDI prediction models by prioritizing multiple data sources. By applying the proposed algorithm to 1,626 small-molecule drugs which have one or more SE profiles, we obtained 145,068 predicted DDIs. The predicted DDIs will help clinicians to avoid hazardous drug interactions in their prescriptions and will aid pharmaceutical companies to design large-scale clinical trial by assessing potentially hazardous drug combinations. All data sets and predicted DDIs are available at http://astro.temple.edu/~tua87106/ddi.html.

  15. Explaining Earth and Space Science Concepts to Middle School Children Through Interactive web Based Stories

    NASA Astrophysics Data System (ADS)

    Prakash, A.; Gens, R.; Gupta, A.

    2005-05-01

    The role of story telling in educating, entertaining, and stimulating young minds needs no proof. Unwritten stories have carried from one generation to another preserving old traditions and cultural heritages. Advancements in technology have now brought computers and internet to homes, and tools for education and entertainment have adapted accordingly. Combining science content in web based interactive stories, provides a great way to capture the interest and curiosity of young minds, and in the process intrigue them to take up careers in science. 'Alaska: a Birds Eye View', and 'Treasure Hunt in Alaska' are two interactive web based stories designed for middle school children. Both stories are set up for the State of Alaska, but convey earth and space science concepts that are of relevance for everyone. Whereas the first story tells about the significance of satellite observations made in the optical and thermal part of the electromagnetic spectrum for mapping, monitoring volcanic eruption, studying impacts of sea ice edge changes in relation to global climate changes, the second story focuses on the significance of satellite data acquired in the microwave region of the spectrum for target detection. Creative art work has added to the visual appeal of the stories. Both stories provide a unique blend of earth and space science topics.

  16. UTOPIAN: user-driven topic modeling based on interactive nonnegative matrix factorization.

    PubMed

    Choo, Jaegul; Lee, Changhyun; Reddy, Chandan K; Park, Haesun

    2013-12-01

    Topic modeling has been widely used for analyzing text document collections. Recently, there have been significant advancements in various topic modeling techniques, particularly in the form of probabilistic graphical modeling. State-of-the-art techniques such as Latent Dirichlet Allocation (LDA) have been successfully applied in visual text analytics. However, most of the widely-used methods based on probabilistic modeling have drawbacks in terms of consistency from multiple runs and empirical convergence. Furthermore, due to the complicatedness in the formulation and the algorithm, LDA cannot easily incorporate various types of user feedback. To tackle this problem, we propose a reliable and flexible visual analytics system for topic modeling called UTOPIAN (User-driven Topic modeling based on Interactive Nonnegative Matrix Factorization). Centered around its semi-supervised formulation, UTOPIAN enables users to interact with the topic modeling method and steer the result in a user-driven manner. We demonstrate the capability of UTOPIAN via several usage scenarios with real-world document corpuses such as InfoVis/VAST paper data set and product review data sets. PMID:24051765

  17. Two-Way Gene Interaction From Microarray Data Based on Correlation Methods

    PubMed Central

    Alavi Majd, Hamid; Talebi, Atefeh; Gilany, Kambiz; Khayyer, Nasibeh

    2016-01-01

    Background Gene networks have generated a massive explosion in the development of high-throughput techniques for monitoring various aspects of gene activity. Networks offer a natural way to model interactions between genes, and extracting gene network information from high-throughput genomic data is an important and difficult task. Objectives The purpose of this study is to construct a two-way gene network based on parametric and nonparametric correlation coefficients. The first step in constructing a Gene Co-expression Network is to score all pairs of gene vectors. The second step is to select a score threshold and connect all gene pairs whose scores exceed this value. Materials and Methods In the foundation-application study, we constructed two-way gene networks using nonparametric methods, such as Spearman’s rank correlation coefficient and Blomqvist’s measure, and compared them with Pearson’s correlation coefficient. We surveyed six genes of venous thrombosis disease, made a matrix entry representing the score for the corresponding gene pair, and obtained two-way interactions using Pearson’s correlation, Spearman’s rank correlation, and Blomqvist’s coefficient. Finally, these methods were compared with Cytoscape, based on BIND, and Gene Ontology, based on molecular function visual methods; R software version 3.2 and Bioconductor were used to perform these methods. Results Based on the Pearson and Spearman correlations, the results were the same and were confirmed by Cytoscape and GO visual methods; however, Blomqvist’s coefficient was not confirmed by visual methods. Conclusions Some results of the correlation coefficients are not the same with visualization. The reason may be due to the small number of data.

  18. Two-Way Gene Interaction From Microarray Data Based on Correlation Methods

    PubMed Central

    Alavi Majd, Hamid; Talebi, Atefeh; Gilany, Kambiz; Khayyer, Nasibeh

    2016-01-01

    Background Gene networks have generated a massive explosion in the development of high-throughput techniques for monitoring various aspects of gene activity. Networks offer a natural way to model interactions between genes, and extracting gene network information from high-throughput genomic data is an important and difficult task. Objectives The purpose of this study is to construct a two-way gene network based on parametric and nonparametric correlation coefficients. The first step in constructing a Gene Co-expression Network is to score all pairs of gene vectors. The second step is to select a score threshold and connect all gene pairs whose scores exceed this value. Materials and Methods In the foundation-application study, we constructed two-way gene networks using nonparametric methods, such as Spearman’s rank correlation coefficient and Blomqvist’s measure, and compared them with Pearson’s correlation coefficient. We surveyed six genes of venous thrombosis disease, made a matrix entry representing the score for the corresponding gene pair, and obtained two-way interactions using Pearson’s correlation, Spearman’s rank correlation, and Blomqvist’s coefficient. Finally, these methods were compared with Cytoscape, based on BIND, and Gene Ontology, based on molecular function visual methods; R software version 3.2 and Bioconductor were used to perform these methods. Results Based on the Pearson and Spearman correlations, the results were the same and were confirmed by Cytoscape and GO visual methods; however, Blomqvist’s coefficient was not confirmed by visual methods. Conclusions Some results of the correlation coefficients are not the same with visualization. The reason may be due to the small number of data. PMID:27621916

  19. Web-based technology: its effects on small group "problem-based learning" interactions in a professional veterinary medical program.

    PubMed

    Schoenfeld-Tacher, Regina; Bright, Janice M; McConnell, Sherry L; Marley, Wanda S; Kogan, Lori R

    2005-01-01

    The objective of this investigation was to ascertain whether and how the introduction of a new technology (WebCT) influenced faculty teaching styles while facilitating small group problem-based learning (PBL) sessions in a professional veterinary medical (PVM) program. The following questions guided the study: (1) How does the use of technology affect faculty teaching behaviors? (2) Do the facilitators' interactions with WebCT technology change over the course of one semester? (3) What is the perceived impact of WebCT on facilitators' role in PBL? The study employed a combination of qualitative (case study) and semi-quantitative (survey) methods to explore these issues. Nine clinical sciences faculty members, leading a total of six PBL groups, were observed over the course of an academic semester for a total of 20 instructional sessions. The qualitative data gathered by observing faculty as they facilitated PBL sessions yielded three major themes: (1) How do PBL facilitators adapt to the addition of WebCT technology? (2) Does this technology affect teaching? and (3) How do PBL facilitators interact with their students and each other over the course of a semester? No direct evidence was found to suggest that use of WebCT affected teaching behaviors (e.g., student-centered vs. teacher-centered instruction). However, all facilitators showed a moderate increase in comfort with the technology during the semester, and one participant showed remarkable gains in technology skills. The teaching theme provided insight into how facilitators foster learning in a PBL setting as compared to a traditional lecture. A high degree of variability in teaching styles was observed, but individuals' styles tended to remain stable over the course of the semester. Nevertheless, all facilitators interacted similarly with students, in a more caring and approachable manner, when compared to the classroom or clinic atmospheres.

  20. A responsive supramolecular polymer formed by orthogonal metal-coordination and cryptand-based host-guest interaction.

    PubMed

    Wei, Peifa; Xia, Binyuan; Zhang, Yanyan; Yu, Yihua; Yan, Xuzhou

    2014-04-18

    Herein, a cation responsive linear supramolecular polymer was constructed in an orthogonal fashion by unifying the themes of coordination-driven self-assembly and cryptand-based host-guest interaction. PMID:24609282

  1. Sensitive sepiolite-carbon nanotubes based disposable electrodes for direct detection of DNA and anticancer drug-DNA interactions.

    PubMed

    Erdem, Arzum; Kuralay, Filiz; Çubukçu, H Evren; Congur, Gulsah; Karadeniz, Hakan; Canavar, Ece

    2012-09-01

    A new surface based on the natural clay mineral sepiolite and a single-walled carbon nanotubes-modified graphite electrode was developed for the electrochemical detection of DNA, and also for anticancer drug-DNA interactions.

  2. Secondary Neutron Production from Space Radiation Interactions: Advances in Model and Experimental Data Base Development

    NASA Technical Reports Server (NTRS)

    Heilbronn, Lawrence H.; Townsend, Lawrence W.; Braley, G. Scott; Iwata, Yoshiyuki; Iwase, Hiroshi; Nakamura, Takashi; Ronningen, Reginald M.; Cucinotta, Francis A.

    2003-01-01

    For humans engaged in long-duration missions in deep space or near-Earth orbit, the risk from exposure to galactic and solar cosmic rays is an important factor in the design of spacecraft, spacesuits, and planetary bases. As cosmic rays are transported through shielding materials and human tissue components, a secondary radiation field is produced. Neutrons are an important component of that secondary field, especially in thickly-shielded environments. Calculations predict that 50% of the dose-equivalent in a lunar or Martian base comes from neutrons, and a recent workshop held at the Johnson Space Center concluded that as much as 30% of the dose in the International Space Station may come from secondary neutrons. Accelerator facilities provide a means for measuring the effectiveness of various materials in their ability to limit neutron production, using beams and energies that are present in cosmic radiation. The nearly limitless range of beams, energies, and target materials that are present in space, however, means that accelerator-based experiments will not provide a complete database of cross sections and thick-target yields that are necessary to plan and design long-duration missions. As such, accurate nuclear models of neutron production are needed, as well as data sets that can be used to compare with, and verify, the predictions from such models. Improvements in a model of secondary neutron production from heavy-ion interactions are presented here, along with the results from recent accelerator-based measurements of neutron-production cross sections. An analytical knockout-ablation model capable of predicting neutron production from high-energy hadron-hadron interactions (both nucleon-nucleus and nucleus-nucleus collisions) has been previously developed. In the knockout stage, the collision between two nuclei result in the emission of one or more nucleons from the projectile and/or target. The resulting projectile and target remnants, referred to as

  3. Structure of unstable nuclei around N = 28 described by a shell model with the monopole-based universal interaction

    SciTech Connect

    Utsuno, Yutaka; Otsuka, Takaharu; Brown, B. Alex; Honma, Michio; Mizusaki, Takahiro

    2011-05-06

    The structure of exotic nuclei around N = 28 is investigated in the sd-pf shell-model space using a new effective interaction. The cross-shell part of the interaction is provided by the monopole-based universal interaction which has been successful in accounting for single-particle evolution in several mass regions. Focusing on the nuclear structure that is sensitive to the shell evolution, we show successful results for the proton-hole states in K isotopes and large deformation in {sup 42}Si. The results demonstrate that the present scheme may be a promising way for constructing an effective interaction for other mass regions.

  4. Lanthanide-based imaging of protein-protein interactions in live cells.

    PubMed

    Rajendran, Megha; Yapici, Engin; Miller, Lawrence W

    2014-02-17

    In order to deduce the molecular mechanisms of biological function, it is necessary to monitor changes in the subcellular location, activation, and interaction of proteins within living cells in real time. Förster resonance energy-transfer (FRET)-based biosensors that incorporate genetically encoded, fluorescent proteins permit high spatial resolution imaging of protein-protein interactions or protein conformational dynamics. However, a nonspecific fluorescence background often obscures small FRET signal changes, and intensity-based biosensor measurements require careful interpretation and several control experiments. These problems can be overcome by using lanthanide [Tb(III) or Eu(III)] complexes as donors and green fluorescent protein (GFP) or other conventional fluorophores as acceptors. Essential features of this approach are the long-lifetime (approximately milliseconds) luminescence of Tb(III) complexes and time-gated luminescence microscopy. This allows pulsed excitation, followed by a brief delay, which eliminates nonspecific fluorescence before the detection of Tb(III)-to-GFP emission. The challenges of intracellular delivery, selective protein labeling, and time-gated imaging of lanthanide luminescence are presented, and recent efforts to investigate the cellular uptake of lanthanide probes are reviewed. Data are presented showing that conjugation to arginine-rich, cell-penetrating peptides (CPPs) can be used as a general strategy for the cellular delivery of membrane-impermeable lanthanide complexes. A heterodimer of a luminescent Tb(III) complex, Lumi4, linked to trimethoprim and conjugated to nonaarginine via a reducible disulfide linker rapidly (∼10 min) translocates into the cytoplasm of Maden Darby canine kidney cells from the culture medium. With this reagent, the intracellular interaction between GFP fused to FK506 binding protein 12 (GFP-FKBP12) and the rapamycin binding domain of mTOR fused to Escherichia coli dihydrofolate reductase (FRB

  5. Two tri-spin complexes based on gadolinium and nitronyl nitroxide radicals: Structure and ferromagnetic interactions

    SciTech Connect

    Zhou Na; Ma Yue; Wang Chao; Xu Gongfeng; Tang Jinkui; Yan Shiping; Liao Daizheng

    2010-04-15

    Three Radical-Ln(III)-Radical complexes based on nitronyl nitroxide radicals have been synthesized, structurally and magnetically characterized: [Gd(hfac){sub 3}(NITPhOEt){sub 2}] (1) (hfac=hexafluoroacetylacetonate, and NITPhOEt=4'-ethoxy-phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide), [Gd(hfac){sub 3}(NITPhOCH{sub 2}Ph){sub 2}] (2) (NITPhOCH{sub 2}Ph=4'-benzyloxy-phenyl-4,4,5, 5-tetramethylimidazoline-1-oxyl-3-oxide) and [Lu(hfac){sub 3}(NITPhOCH{sub 2}Ph){sub 2}] (3). The X-ray crystal structure analyses show that the structures of the three compounds are similar and all consist of the isolated molecules, in which central ions Gd{sup III} or Lu{sup III} are coordinated by six oxygen atoms from three hfac and two oxygen atoms from nitronyl radicals. The magnetic studies show that in both of the two Gd{sup III} complexes, there are ferromagnetic Gd{sup III}-Rad interactions and antiferro-magnetic Rad-Rad interactions in the molecules (with J{sub Rad-Gd}=0.27 cm{sup -1}, j{sub Rad-Rad}=-2.97 cm{sup -1} for 1: and J{sub Rad-Gd}=0.62 cm{sup -1}, j{sub Rad-Rad}=-7.01 cm{sup -1} for 2). An analogous complex of [Lu(hfac){sub 3} (NITPhOCH{sub 2}Ph){sub 2}] (3) containing diamagnetic Lu{sup III} ions has also been introduced for further demonstrating the nature of magnetic coupling between radicals. - Graphical abstract: Two tri-spin complexes based on gadolinium-radical have been synthesized and characterized, the magnetic studies show that in the two complexes the Gd-radical interaction is ferromagnetic and the radical-radical interaction is antiferromagnetic. An analogous complex containing the diamagnetic Lu{sup III} ions has also been synthesized to further demonstrate the nature of the magnetic coupling between radicals.

  6. Electrostatic interaction between anions bound to Site I and the retinal Schiff base of halorhodopsin

    SciTech Connect

    Schobert, B.; Lanyi, J.K.

    1986-07-01

    The influence of different anions on the deprotonation of the retinal Schiff base of halorhodopsin in the dark was investigated. We find that a large number of anions cause a significant increase of the pK/sub a/ of the Schiff base, an effect attributed to binding to site I on the protein. The concentration dependencies of the spectroscopic shifts associated with the changes of the pK/sub a/ yielded dissociation constants (and thus binding energies) for the anions, which were related to the Stokes radii. The data fit the predictions of electrostatic interaction between the anions and the positive charge associated with site I, if the latter is located within a few angstroms from the surface of the protein. The specificity of site I toward various anions is quantitatively explained by the differences in the change of Born energy upon transfer of the anions from water to the binding site. The changes in the deprotonation energy of the Schiff base upon the binding of anions, ..delta delta..G/sub deprot/, could be calculated from the ..delta..pK/sub a/ at infinite anion concentration. Unexpectedly, the ..delta delta..G/sub deprot/ values were remarkably close to the energies of binding to site I. Thus, site I and the Schiff base are strongly electrostatically coupled, either because of close proximity or because of the possibility of allosteric energy transfer between them.

  7. Interaction of sodium and potassium ions with sandwiched cytosine-, guanine-, thymine-, and uracil-base tetrads.

    PubMed

    Meyer, Michael; Hocquet, Alexandre; Sühnel, Jürgen

    2005-03-01

    Nucleic acid tetraplexes and lipophilic self-assembling G-quadruplexes contain stacked base tetrads with intercalated metal ions as basic building blocks. Thus far, quantum-chemical studies have been used to explore the geometric and energetic properties of base tetrads with and without metal ions. Recently, for the first time, work on a sandwiched G-tetrad complex has been studied. We report here results of a systematic B3LYP density functional study on sandwiched G-, C-, U-, and T-tetrads with Na+ and K+ at different symmetries that substantially extend the recent work. The results include detailed information on total energies as well as on metal ion tetrad and base-base interaction energies. The geometrical parameters of the sandwiched metal ion complexes are compared to both experimental structures and to calculated geometries of complexes of single tetrads with metal ions. A microsolvation model explains the ion selectivity preference of K+ over Na+ in a qualitative sense. PMID:15648098

  8. Relative importance and interactions of furan precursors in sterilised, vegetable-based food systems.

    PubMed

    Palmers, Stijn; Grauwet, Tara; Buvé, Carolien; Vanratingen, Koen; Kebede, Biniam T; Goos, Peter; Hendrickx, Marc E; Van Loey, Ann

    2016-01-01

    Mitigation strategies aimed at an intervention in the reaction pathways for furan formation (e.g., by adjusting precursor concentrations) might offer an additional route for furan reduction in sterilised, vegetable-based foods, without adverse effects on other food safety or quality attributes. As a first step towards product reformulation, the aim of the present study was to determine the relative importance and interactions of possible furan precursors in these types of foods. Based on an I-optimal experimental design, potato purée (naturally low in furan precursors) was spiked with known amounts of sugars, ascorbic acid, olive oil and β-carotene, and subjected to a thermal sterilisation. Significant correlations were observed between furan concentrations after thermal treatment and starting concentrations of ascorbic acid and monosaccharides (i.e., fructose and glucose). Ascorbic acid had a clear furan-reducing effect as an antioxidant by protecting (polyunsaturated) fatty acids against oxidative degradation. Fructose and glucose were the main precursors, which can most probably be attributed to their high, but realistic, concentrations in the product. The contributions of fatty acids and β-carotene were strongly dependent on redox interactions with other food constituents. In the same potato purées, only low concentrations (0-2 ng g(-1) purée) of 2-methylfuran were detected, indicating that the direct importance of the spiked food constituents as a precursor for methylfuran formation was rather small. Based on the results of this study, reducing the amount of monosaccharides or adjusting the redox conditions of the matrix are suggested as two possible approaches for furan mitigation on the product side. PMID:26605424

  9. Relative importance and interactions of furan precursors in sterilised, vegetable-based food systems.

    PubMed

    Palmers, Stijn; Grauwet, Tara; Buvé, Carolien; Vanratingen, Koen; Kebede, Biniam T; Goos, Peter; Hendrickx, Marc E; Van Loey, Ann

    2016-01-01

    Mitigation strategies aimed at an intervention in the reaction pathways for furan formation (e.g., by adjusting precursor concentrations) might offer an additional route for furan reduction in sterilised, vegetable-based foods, without adverse effects on other food safety or quality attributes. As a first step towards product reformulation, the aim of the present study was to determine the relative importance and interactions of possible furan precursors in these types of foods. Based on an I-optimal experimental design, potato purée (naturally low in furan precursors) was spiked with known amounts of sugars, ascorbic acid, olive oil and β-carotene, and subjected to a thermal sterilisation. Significant correlations were observed between furan concentrations after thermal treatment and starting concentrations of ascorbic acid and monosaccharides (i.e., fructose and glucose). Ascorbic acid had a clear furan-reducing effect as an antioxidant by protecting (polyunsaturated) fatty acids against oxidative degradation. Fructose and glucose were the main precursors, which can most probably be attributed to their high, but realistic, concentrations in the product. The contributions of fatty acids and β-carotene were strongly dependent on redox interactions with other food constituents. In the same potato purées, only low concentrations (0-2 ng g(-1) purée) of 2-methylfuran were detected, indicating that the direct importance of the spiked food constituents as a precursor for methylfuran formation was rather small. Based on the results of this study, reducing the amount of monosaccharides or adjusting the redox conditions of the matrix are suggested as two possible approaches for furan mitigation on the product side.

  10. Impact of cation-π interactions on the cell voltage of carbon nanotube-based Li batteries.

    PubMed

    Gao, Shaohua; Shi, Guosheng; Fang, Haiping

    2016-01-21

    Carbon nanotube (CNT)-based Li batteries have attracted wide attention because of their high capacity, high cyclability and high energy density and are believed to be one of the most promising electrochemical energy storage systems. In CNT-based Li batteries, the main interaction between the Li(+) ions and the CNT is the cation-π interaction. However, up to now, it is still not clear how this interaction affects the storage characteristics of CNT-based Li batteries. Here, using density functional theory (DFT) calculations, we report a highly favorable impact of cation-π interactions on the cell voltage of CNT-based Li batteries. Considering both Li(+)-π interaction and Li-π interaction, we show that cell voltage enhances with the increase of the CNT diameter. In addition, when the Li(+) ion adsorbs on the external wall, the cell voltage is larger than that when it adsorbs on the internal wall. This suggests that CNTs with a large diameter and a low array density are more advantageous to enhance storage performance of CNT-based Li batteries. Compared with Li(+) ions on the (4,4) CNT internal wall, the cell voltage of Li(+) on the (10,10) CNT external wall is 0.55 V higher, which indicates an improvement of about 38%. These results will be helpful for the design of more efficient CNT-based Li batteries.

  11. Born energy, acid-base equilibrium, structure and interactions of end-grafted weak polyelectrolyte layers

    SciTech Connect

    Nap, R. J.; Tagliazucchi, M.; Szleifer, I.

    2014-01-14

    This work addresses the effect of the Born self-energy contribution in the modeling of the structural and thermodynamical properties of weak polyelectrolytes confined to planar and curved surfaces. The theoretical framework is based on a theory that explicitly includes the conformations, size, shape, and charge distribution of all molecular species and considers the acid-base equilibrium of the weak polyelectrolyte. Namely, the degree of charge in the polymers is not imposed but it is a local varying property that results from the minimization of the total free energy. Inclusion of the dielectric properties of the polyelectrolyte is important as the environment of a polymer layer is very different from that in the adjacent aqueous solution. The main effect of the Born energy contribution on the molecular organization of an end-grafted weak polyacid layer is uncharging the weak acid (or basic) groups and consequently decreasing the concentration of mobile ions within the layer. The magnitude of the effect increases with polymer density and, in the case of the average degree of charge, it is qualitatively equivalent to a small shift in the equilibrium constant for the acid-base equilibrium of the weak polyelectrolyte monomers. The degree of charge is established by the competition between electrostatic interactions, the polymer conformational entropy, the excluded volume interactions, the translational entropy of the counterions and the acid-base chemical equilibrium. Consideration of the Born energy introduces an additional energetic penalty to the presence of charged groups in the polyelectrolyte layer, whose effect is mitigated by down-regulating the amount of charge, i.e., by shifting the local-acid base equilibrium towards its uncharged state. Shifting of the local acid-base equilibrium and its effect on the properties of the polyelectrolyte layer, without considering the Born energy, have been theoretically predicted previously. Account of the Born energy leads

  12. Born energy, acid-base equilibrium, structure and interactions of end-grafted weak polyelectrolyte layers.

    PubMed

    Nap, R J; Tagliazucchi, M; Szleifer, I

    2014-01-14

    This work addresses the effect of the Born self-energy contribution in the modeling of the structural and thermodynamical properties of weak polyelectrolytes confined to planar and curved surfaces. The theoretical framework is based on a theory that explicitly includes the conformations, size, shape, and charge distribution of all molecular species and considers the acid-base equilibrium of the weak polyelectrolyte. Namely, the degree of charge in the polymers is not imposed but it is a local varying property that results from the minimization of the total free energy. Inclusion of the dielectric properties of the polyelectrolyte is important as the environment of a polymer layer is very different from that in the adjacent aqueous solution. The main effect of the Born energy contribution on the molecular organization of an end-grafted weak polyacid layer is uncharging the weak acid (or basic) groups and consequently decreasing the concentration of mobile ions within the layer. The magnitude of the effect increases with polymer density and, in the case of the average degree of charge, it is qualitatively equivalent to a small shift in the equilibrium constant for the acid-base equilibrium of the weak polyelectrolyte monomers. The degree of charge is established by the competition between electrostatic interactions, the polymer conformational entropy, the excluded volume interactions, the translational entropy of the counterions and the acid-base chemical equilibrium. Consideration of the Born energy introduces an additional energetic penalty to the presence of charged groups in the polyelectrolyte layer, whose effect is mitigated by down-regulating the amount of charge, i.e., by shifting the local-acid base equilibrium towards its uncharged state. Shifting of the local acid-base equilibrium and its effect on the properties of the polyelectrolyte layer, without considering the Born energy, have been theoretically predicted previously. Account of the Born energy leads

  13. Effects of surface charge on interfacial interactions related to membrane fouling in a submerged membrane bioreactor based on thermodynamic analysis.

    PubMed

    Cai, Huihui; Fan, Hao; Zhao, Leihong; Hong, Huachang; Shen, Liguo; He, Yiming; Lin, Hongjun; Chen, Jianrong

    2016-03-01

    Effects of both membrane and sludge foulant surface zeta potentials on interfacial interactions between membrane and sludge foulant in different interaction scenarios were systematically investigated based on thermodynamic methods. Under conditions in this study, it was found that zeta potential had marginal effects on total interfacial interaction between two infinite planar surfaces, and the total interfacial interaction between foulant particles and membrane would be more repulsive with increase of absolute value of zeta potential. Adhesion of foulant particles on membrane surface should overcome an energy barrier. There exists a critical zeta potential below which energy barrier would disappear. Results also showed that rough surface membrane corresponded to significantly low strength of interfacial interactions. This study not only provided a series of methods to quantitatively assess the interfacial interactions between membrane and sludge foulants, but also reconciled the contradictory conclusions regarding effects of zeta potential in literature, giving important implications for membrane fouling mitigation.

  14. A prototype of an interactive web-based risk analysis tool for floods and landslides

    NASA Astrophysics Data System (ADS)

    Aye, Zar Chi; Jaboyedoff, Michel; Derron, Marc-Henri

    2015-04-01

    Within the framework of the European project CHANGES, we developed a prototype web-GIS based risk analysis tool for natural hazards, in particular for floods and landslides, based on open-source geospatial software and technologies. This tool is developed based on Boundless (Opengeo) framework and its client side SDK environment with customized plugins for the risk analysis and data management modules of the web based decision support platform. Free and open source components were applied: PostGIS spatial database, GeoServer and GeoWebCache for application servers with tile cache and GeoExt and OpenLayers for user interface development of the platform. The aim of the presented tool is to assist the experts (risk managers) in analyzing the impacts and consequences of a certain hazard event in the considered region as well as to support the responsible authorities and decision makers in making decisions for selection of risk management strategies to be implemented in the region. Within the platform, the users can provide (upload) the necessary maps and data such as hazard maps, elements at risk maps and vulnerability information. For the vulnerability component of the platform, the users can not only upload the vulnerability tables of a certain elements at risk for a given range of hazard intensity values but also create own vulnerability curves by giving the parameter values of a built-in vulnerability function of the platform. Based on these provided input information, the losses (amount of damages and number of people killed) of a certain hazard scenario are calculated on-the-fly and visualized interactively in the web-GIS interface of the platform. The annualized risk per year can also be obtained based on the combination of these calculated loss scenarios with different return periods of a hazard event. The application of the tool at a regional scale is demonstrated using one of the case study sites, Fella River of North Eastern Italy, of the CHANGES project.

  15. Single-cell genomics-based analysis of virus-host interactions in marine surface bacterioplankton.

    PubMed

    Labonté, Jessica M; Swan, Brandon K; Poulos, Bonnie; Luo, Haiwei; Koren, Sergey; Hallam, Steven J; Sullivan, Matthew B; Woyke, Tanja; Wommack, K Eric; Stepanauskas, Ramunas

    2015-11-01

    Viral infections dynamically alter the composition and metabolic potential of marine microbial communities and the evolutionary trajectories of host populations with resulting feedback on biogeochemical cycles. It is quite possible that all microbial populations in the ocean are impacted by viral infections. Our knowledge of virus-host relationships, however, has been limited to a minute fraction of cultivated host groups. Here, we utilized single-cell sequencing to obtain genomic blueprints of viruses inside or attached to individual bacterial and archaeal cells captured in their native environment, circumventing the need for host and virus cultivation. A combination of comparative genomics, metagenomic fragment recruitment, sequence anomalies and irregularities in sequence coverage depth and genome recovery were utilized to detect viruses and to decipher modes of virus-host interactions. Members of all three tailed phage families were identified in 20 out of 58 phylogenetically and geographically diverse single amplified genomes (SAGs) of marine bacteria and archaea. At least four phage-host interactions had the characteristics of late lytic infections, all of which were found in metabolically active cells. One virus had genetic potential for lysogeny. Our findings include first known viruses of Thaumarchaeota, Marinimicrobia, Verrucomicrobia and Gammaproteobacteria clusters SAR86 and SAR92. Viruses were also found in SAGs of Alphaproteobacteria and Bacteroidetes. A high fragment recruitment of viral metagenomic reads confirmed that most of the SAG-associated viruses are abundant in the ocean. Our study demonstrates that single-cell genomics, in conjunction with sequence-based computational tools, enable in situ, cultivation-independent insights into host-virus interactions in complex microbial communities. PMID:25848873

  16. Hubbard interactions in iron-based pnictides and chalcogenides: Slater parametrization, screening channels, and frequency dependence

    NASA Astrophysics Data System (ADS)

    van Roekeghem, Ambroise; Vaugier, Loïg; Jiang, Hong; Biermann, Silke

    2016-09-01

    We calculate the strength of the frequency-dependent on-site electronic interactions in the iron pnictides LaFeAsO, BaFe2As2 , BaRu2As2 , and LiFeAs and the chalcogenide FeSe from first principles within the constrained random phase approximation. We discuss the accuracy of an atomiclike parametrization of the two-index density-density interaction matrices based on the calculation of an optimal set of three independent Slater integrals, assuming that the angular part of the Fe d localized orbitals can be described within spherical harmonics as for isolated Fe atoms. We show that its quality depends on the ligand-metal bonding character rather than on the dimensionality of the lattice: it is excellent for ionic-like Fe-Se (FeSe) chalcogenides and a more severe approximation for more covalent Fe-As (LaFeAsO, BaFe2As2 ) pnictides. We furthermore analyze the relative importance of different screening channels, with similar conclusions for the different pnictides but a somewhat different picture for the benchmark oxide SrVO3: the ligand channel does not appear to be dominant in the pnictides, while oxygen screening is the most important process in the oxide. Finally, we analyze the frequency dependence of the interaction. In contrast to simple oxides, in iron pnictides its functional form cannot be simply modeled by a single plasmon, and the actual density of modes enters the construction of an effective Hamiltonian determining the low-energy properties.

  17. Computational Analysis of Structure-Based Interactions for Novel H1-Antihistamines

    PubMed Central

    Yang, Yinfeng; Li, Yan; Pan, Yanqiu; Wang, Jinghui; Lin, Feng; Wang, Chao; Zhang, Shuwei; Yang, Ling

    2016-01-01

    As a chronic disorder, insomnia affects approximately 10% of the population at some time during their lives, and its treatment is often challenging. Since the antagonists of the H1 receptor, a protein prevalent in human central nervous system, have been proven as effective therapeutic agents for treating insomnia, the H1 receptor is quite possibly a promising target for developing potent anti-insomnia drugs. For the purpose of understanding the structural actors affecting the antagonism potency, presently a theoretical research of molecular interactions between 129 molecules and the H1 receptor is performed through three-dimensional quantitative structure-activity relationship (3D-QSAR) techniques. The ligand-based comparative molecular similarity indices analysis (CoMSIA) model (Q2 = 0.525, R2ncv = 0.891, R2pred = 0.807) has good quality for predicting the bioactivities of new chemicals. The cross-validated result suggests that the developed models have excellent internal and external predictability and consistency. The obtained contour maps were appraised for affinity trends for the investigated compounds, which provides significantly useful information in the rational drug design of novel anti-insomnia agents. Molecular docking was also performed to investigate the mode of interaction between the ligand and the active site of the receptor. Furthermore, as a supplementary tool to study the docking conformation of the antagonists in the H1 receptor binding pocket, molecular dynamics simulation was also applied, providing insights into the changes in the structure. All of the models and the derived information would, we hope, be of help for developing novel potent histamine H1 receptor antagonists, as well as exploring the H1-antihistamines interaction mechanism. PMID:26797608

  18. Single-cell genomics-based analysis of virus–host interactions in marine surface bacterioplankton

    PubMed Central

    Labonté, Jessica M; Swan, Brandon K; Poulos, Bonnie; Luo, Haiwei; Koren, Sergey; Hallam, Steven J; Sullivan, Matthew B; Woyke, Tanja; Eric Wommack, K; Stepanauskas, Ramunas

    2015-01-01

    Viral infections dynamically alter the composition and metabolic potential of marine microbial communities and the evolutionary trajectories of host populations with resulting feedback on biogeochemical cycles. It is quite possible that all microbial populations in the ocean are impacted by viral infections. Our knowledge of virus–host relationships, however, has been limited to a minute fraction of cultivated host groups. Here, we utilized single-cell sequencing to obtain genomic blueprints of viruses inside or attached to individual bacterial and archaeal cells captured in their native environment, circumventing the need for host and virus cultivation. A combination of comparative genomics, metagenomic fragment recruitment, sequence anomalies and irregularities in sequence coverage depth and genome recovery were utilized to detect viruses and to decipher modes of virus–host interactions. Members of all three tailed phage families were identified in 20 out of 58 phylogenetically and geographically diverse single amplified genomes (SAGs) of marine bacteria and archaea. At least four phage–host interactions had the characteristics of late lytic infections, all of which were found in metabolically active cells. One virus had genetic potential for lysogeny. Our findings include first known viruses of Thaumarchaeota, Marinimicrobia, Verrucomicrobia and Gammaproteobacteria clusters SAR86 and SAR92. Viruses were also found in SAGs of Alphaproteobacteria and Bacteroidetes. A high fragment recruitment of viral metagenomic reads confirmed that most of the SAG-associated viruses are abundant in the ocean. Our study demonstrates that single-cell genomics, in conjunction with sequence-based computational tools, enable in situ, cultivation-independent insights into host–virus interactions in complex microbial communities. PMID:25848873

  19. Van der Waals interactions based on maximally localized Wannier functions in ABINIT

    NASA Astrophysics Data System (ADS)

    Espejo, Camilo; Rangel, Tonatiuh; Pouillon, Yann; Romero, Aldo; Gonze, Xavier

    2012-02-01

    We review the recent implementationootnotetextC. Espejo et al. Computer Phys. Comm. In press (2011), doi:10.1016/j.cpc.2011.11.003 of the method to evaluate van der Waals (vdW) interactions based on maximally localized Wannier functionsootnotetextP. L. Silvestrelli. Phys. Rev. B., 100, 053002 (2008)^,ootnotetextP. L. Silvestrelli. J. Phys. Chem. A., 113, 5224 (2009) in the DFT software ABINITootnotetextX. Gonze et al. Computer Phys. Comm. 180, 2582 (2009). The implementation allows for the evaluation of vdW interaction energies for molecular and periodic systems on the same grounds and at a low additional computational cost as compared with a normal DFT calculation. Some results on test systems such as Ar2, benzene dimer and graphene bilayer show both its reliabilty and performance. Discussion of new defined variables controlling the calculation and guide lines for the user will be presented along with an application to MoS2 structure.

  20. Elucidating Host–Pathogen Interactions Based on Post-Translational Modifications Using Proteomics Approaches

    PubMed Central

    Ravikumar, Vaishnavi; Jers, Carsten; Mijakovic, Ivan

    2015-01-01

    Microbes with the capability to survive in the host tissue and efficiently subvert its innate immune responses can cause various health hazards. There is an inherent need to understand microbial infection patterns and mechanisms in order to develop efficient therapeutics. Microbial pathogens display host specificity through a complex network of molecular interactions that aid their survival and propagation. Co-infection states further lead to complications by increasing the microbial burden and risk factors. Quantitative proteomics based approaches and post-translational modification analysis can be efficiently applied to gain an insight into the molecular mechanisms involved. The measurement of the proteome and post-translationally modified proteome dynamics using mass spectrometry, results in a wide array of information, such as significant changes in protein expression, protein abundance, the modification status, the site occupancy level, interactors, functional significance of key players, potential drug targets, etc. This mini review discusses the potential of proteomics to investigate the involvement of post-translational modifications in bacterial pathogenesis and host–pathogen interactions. PMID:26635773

  1. Glycodendritic structures based on Boltorn hyperbranched polymers and their interactions with Lens culinaris lectin.

    PubMed

    Arce, Eva; Nieto, Pedro M; Díaz, Vicente; Castro, Rossana García; Bernad, Antonio; Rojo, Javier

    2003-01-01

    Multivalent scaffolds bearing carbohydrates have been prepared to mediate biological processes where carbohydrates are involved. These systems consist of dendritic structures based on Boltorn H20 and H30 hyperbranched polymers to which carbohydrates are linked through a convenient spacer. Mannose has been chosen as a sugar unit to test the viability of this strategy. These glycodendritic compounds have been prepared in a few steps with good yields, showing a high solubility in physiological media and low toxicity. The binding of these dendritic polymers to the mannose-binding lectin Lens culinaris (LCA) was studied using STD-NMR experiments and quantitative precipitation assays. The results demonstrate the existence of a clear interaction between the mannose derivative systems and the Lens lectin where the dendritic scaffold does not have an important role in mannose binding but supplies the necessary multivalence for lectin cluster formation. These glycodendritic structures are able to interact with a receptor, and therefore they can be considered as promising tools for biological studies. PMID:12862436

  2. Fluorescent reversible regulation based on the interactions of topotecan hydrochloride, neutral red and quantum dots

    NASA Astrophysics Data System (ADS)

    Wang, Linlin; Shen, Yizhong; Liu, Shaopu; Yang, Jidong; Liang, Wanjun; Li, Dan; He, Youqiu

    2015-02-01

    The interactions of topotecan hydrochloride (THC), neutral red (NR) and thioglycolic acid (TGA) capped CdTe/CdS quantum dots (QDs) built a solid base for the controlling of the fluorescent reversible regulation of the system. This study was developed by means of ultraviolet-visible (UV-vis) absorption, fluorescence (FL), resonance Rayleigh scattering (RRS) spectroscopy and transmission electron microscopy (TEM). Corresponding experimental results revealed that the fluorescence of TGA-CdTe/CdS QDs could be effectively quenched by NR, while the RRS of the QDs enhanced gradually with the each increment of NR concentration. After the addition of THC, the strong covalent conjugation between NR and THC which was in carboxylate state enabled NR to be dissociated from the surface of TGA-CdTe/CdS QDs to form more stable complex with THC, thereby enhancing the fluorescence of the TGA-CdTe/CdS QDs-NR system. What is more, through analyzing the optical properties and experimental data of the reaction between TGA-CdTe/CdS QDs and NR, the possible reaction mechanism of the whole system was discussed. This combination of multiple spectroscopic techniques could contribute to the investigation for the fluorescent reversible regulation of QDs and a method could also be established to research the interactions between camptothecin drugs and dyes.

  3. A Multi-Phase Based Fluid-Structure-Microfluidic interaction sensor for Aerodynamic Shear Stress

    NASA Astrophysics Data System (ADS)

    Hughes, Christopher; Dutta, Diganta; Bashirzadeh, Yashar; Ahmed, Kareem; Qian, Shizhi

    2014-11-01

    A novel innovative microfluidic shear stress sensor is developed for measuring shear stress through multi-phase fluid-structure-microfluidic interaction. The device is composed of a microfluidic cavity filled with an electrolyte liquid. Inside the cavity, two electrodes make electrochemical velocimetry measurements of the induced convection. The cavity is sealed with a flexible superhydrophobic membrane. The membrane will dynamically stretch and flex as a result of direct shear cross-flow interaction with the seal structure, forming instability wave modes and inducing fluid motion within the microfluidic cavity. The shear stress on the membrane is measured by sensing the induced convection generated by membrane deflections. The advantages of the sensor over current MEMS based shear stress sensor technology are: a simplified design with no moving parts, optimum relationship between size and sensitivity, no gaps such as those created by micromachining sensors in MEMS processes. We present the findings of a feasibility study of the proposed sensor including wind-tunnel tests, microPIV measurements, electrochemical velocimetry, and simulation data results. The study investigates the sensor in the supersonic and subsonic flow regimes. Supported by a NASA SBIR phase 1 contract.

  4. Micellar interactions in water-AOT based droplet microemulsions containing hydrophilic and amphiphilic polymers

    NASA Astrophysics Data System (ADS)

    Appel, Markus; Spehr, Tinka Luise; Wipf, Robert; Moers, Christian; Frey, Holger; Stühn, Bernd

    2013-11-01

    We investigate the influence of addition of hydrophilic and amphiphilic polymer on percolation behavior and micellar interactions in AOT-based water-in-oil droplet microemulsions. We focus on two series of samples having constant molar water to surfactant ratio W = 20 and constant droplet volume fraction Φ = 30%, respectively. From dielectric spectroscopy experiments, we extract the bending rigidity of the surfactant shell by percolation temperature measurements. Depending on droplet size, we find stabilization and destabilization of the surfactant shell upon addition of hydrophilic poly(ethylene glycol) (PEG) (Mn = 3100 g mol-1) and amphiphilic poly(styrene)-b-poly(ethylene glycol) copolymer with comparable length of the hydrophilic block. Complementary small angle X-ray scattering experiments corroborate the finding of stabilization for smaller droplets and destabilization of larger droplets. Subsequent analysis of dielectric spectra enables us to extract detailed information about micellar interactions and clustering by evaluating the dielectric high frequency shell relaxation. We interpret the observed results as a possible modification of the inter-droplet charge transfer efficiency by addition of PEG polymer, while the amphiphilic polymer shows a comparable, but dampened effect.

  5. Nuclear interactions in heavy ion transport and event-based risk models.

    PubMed

    Cucinotta, Francis A; Plante, Ianik; Ponomarev, Artem L; Kim, Myung-Hee Y

    2011-02-01

    The physical description of the passage of heavy ions in tissue and shielding materials is of interest in radiobiology, cancer therapy and space exploration, including a human mission to Mars. Galactic cosmic rays (GCRs) consist of a large number of ion types and energies. Energy loss processes occur continuously along the path of heavy ions and are well described by the linear energy transfer (LET), straggling and multiple scattering algorithms. Nuclear interactions lead to much larger energy deposition than atomic-molecular collisions and alter the composition of heavy ion beams while producing secondary nuclei often in high multiplicity events. The major nuclear interaction processes of importance for describing heavy ion beams was reviewed, including nuclear fragmentation, elastic scattering and knockout-cascade processes. The quantum multiple scattering fragmentation model is shown to be in excellent agreement with available experimental data for nuclear fragmentation cross sections and is studied for application to thick target experiments. A new computer model, which was developed for the description of biophysical events from heavy ion beams at the NASA Space Radiation Laboratory (NSRL), called the GCR Event Risk-Based Model (GERMcode) is described.

  6. Fuzzy Integral-Based Gaze Control of a Robotic Head for Human Robot Interaction.

    PubMed

    Yoo, Bum-Soo; Kim, Jong-Hwan

    2015-09-01

    During the last few decades, as a part of effort to enhance natural human robot interaction (HRI), considerable research has been carried out to develop human-like gaze control. However, most studies did not consider hardware implementation, real-time processing, and the real environment, factors that should be taken into account to achieve natural HRI. This paper proposes a fuzzy integral-based gaze control algorithm, operating in real-time and the real environment, for a robotic head. We formulate the gaze control as a multicriteria decision making problem and devise seven human gaze-inspired criteria. Partial evaluations of all candidate gaze directions are carried out with respect to the seven criteria defined from perceived visual, auditory, and internal inputs, and fuzzy measures are assigned to a power set of the criteria to reflect the user defined preference. A fuzzy integral of the partial evaluations with respect to the fuzzy measures is employed to make global evaluations of all candidate gaze directions. The global evaluation values are adjusted by applying inhibition of return and are compared with the global evaluation values of the previous gaze directions to decide the final gaze direction. The effectiveness of the proposed algorithm is demonstrated with a robotic head, developed in the Robot Intelligence Technology Laboratory at Korea Advanced Institute of Science and Technology, through three interaction scenarios and three comparison scenarios with another algorithm.

  7. Glycodendritic structures based on Boltorn hyperbranched polymers and their interactions with Lens culinaris lectin.

    PubMed

    Arce, Eva; Nieto, Pedro M; Díaz, Vicente; Castro, Rossana García; Bernad, Antonio; Rojo, Javier

    2003-01-01

    Multivalent scaffolds bearing carbohydrates have been prepared to mediate biological processes where carbohydrates are involved. These systems consist of dendritic structures based on Boltorn H20 and H30 hyperbranched polymers to which carbohydrates are linked through a convenient spacer. Mannose has been chosen as a sugar unit to test the viability of this strategy. These glycodendritic compounds have been prepared in a few steps with good yields, showing a high solubility in physiological media and low toxicity. The binding of these dendritic polymers to the mannose-binding lectin Lens culinaris (LCA) was studied using STD-NMR experiments and quantitative precipitation assays. The results demonstrate the existence of a clear interaction between the mannose derivative systems and the Lens lectin where the dendritic scaffold does not have an important role in mannose binding but supplies the necessary multivalence for lectin cluster formation. These glycodendritic structures are able to interact with a receptor, and therefore they can be considered as promising tools for biological studies.

  8. Benchmark data base for accurate van der Waals interaction in inorganic fragments

    NASA Astrophysics Data System (ADS)

    Brndiar, Jan; Stich, Ivan

    2012-02-01

    A range of inorganic materials, such as Sb, As, P, S, Se are built from van der Waals (vdW) interacting units forming the crystals, which neither the standard DFT GGA description as well as cheap quantum chemistry methods, such as MP2, do not describe correctly. We use this data base, for which have performed ultra accurate CCSD(T) calculations in complete basis set limit, to test the alternative approximate theories, such as Grimme [1], Langreth-Lundqvist [2], and Tkachenko-Scheffler [3]. While none of these theories gives entirely correct description, Grimme consistently provides more accurate results than Langreth-Lundqvist, which tend to overestimate the distances and underestimate the interaction energies for this set of systems. Contrary Tkachenko-Scheffler appear to yield surprisingly accurate and computationally cheap and convenient description applicable also for systems with appreciable charge transfer. [4pt] [1] S. Grimme, J. Comp. Chem. 27, 1787 (2006) [0pt] [2] K. Lee, et al., Phys. Rev. B 82 081101 (R) (2010) [0pt] [3] Tkachenko and M. Scheffler Phys. Rev. Lett. 102 073005 (2009).

  9. Interactions of Polyvinylpyrrolidone with Chlorin e6-Based Photosensitizers Studied by NMR and Electronic Absorption Spectroscopy.

    PubMed

    Hädener, Marianne; Gjuroski, Ilche; Furrer, Julien; Vermathen, Martina

    2015-09-10

    Polyvinylpyrrolidone (PVP) can act as potential drug delivery vehicle for porphyrin-based photosensitizers in photodynamic therapy (PDT) to enhance their stability and prevent porphyrin self-association. In the present study the interactions of PVP (MW 10 kDa) were probed with five different derivatives of chlorin e6 (CE6) bearing either one of the amino acids serine, lysine, tyrosine or arginine, or monoamino-hexanoic acid as substituent. All derivatives of CE6 (xCE) formed aggregates of a similar structure in aqueous buffer in the millimolar range. In the presence of PVP monomerization of all xCE aggregates could be proved by (1)H NMR spectroscopy. xCE-PVP complex formation was confirmed by (1)H NMR T2 relaxation and diffusion ordered spectroscopy (DOSY). (1)H(1)H-NOESY data suggested that the xCE uptake into the PVP polymer matrix is governed by hydrophobic interactions. UV-vis absorption and fluorescence emission bands of xCE in the micromolar range revealed characteristic PVP-induced bathochromic shifts. The presented data point out the potential of PVP as carrier system for amphiphilic derivatives of chlorin e6. The capacity of PVP to monomerize xCE aggregates may enhance their efficiency as possible photosensitizers in PDT.

  10. Nuclear interactions in heavy ion transport and event-based risk models.

    PubMed

    Cucinotta, Francis A; Plante, Ianik; Ponomarev, Artem L; Kim, Myung-Hee Y

    2011-02-01

    The physical description of the passage of heavy ions in tissue and shielding materials is of interest in radiobiology, cancer therapy and space exploration, including a human mission to Mars. Galactic cosmic rays (GCRs) consist of a large number of ion types and energies. Energy loss processes occur continuously along the path of heavy ions and are well described by the linear energy transfer (LET), straggling and multiple scattering algorithms. Nuclear interactions lead to much larger energy deposition than atomic-molecular collisions and alter the composition of heavy ion beams while producing secondary nuclei often in high multiplicity events. The major nuclear interaction processes of importance for describing heavy ion beams was reviewed, including nuclear fragmentation, elastic scattering and knockout-cascade processes. The quantum multiple scattering fragmentation model is shown to be in excellent agreement with available experimental data for nuclear fragmentation cross sections and is studied for application to thick target experiments. A new computer model, which was developed for the description of biophysical events from heavy ion beams at the NASA Space Radiation Laboratory (NSRL), called the GCR Event Risk-Based Model (GERMcode) is described. PMID:21242169

  11. Protein-protein interaction network-based detection of functionally similar proteins within species.

    PubMed

    Song, Baoxing; Wang, Fen; Guo, Yang; Sang, Qing; Liu, Min; Li, Dengyun; Fang, Wei; Zhang, Deli

    2012-07-01

    Although functionally similar proteins across species have been widely studied, functionally similar proteins within species showing low sequence similarity have not been examined in detail. Identification of these proteins is of significant importance for understanding biological functions, evolution of protein families, progression of co-evolution, and convergent evolution and others which cannot be obtained by detection of functionally similar proteins across species. Here, we explored a method of detecting functionally similar proteins within species based on graph theory. After denoting protein-protein interaction networks using graphs, we split the graphs into subgraphs using the 1-hop method. Proteins with functional similarities in a species were detected using a method of modified shortest path to compare these subgraphs and to find the eligible optimal results. Using seven protein-protein interaction networks and this method, some functionally similar proteins with low sequence similarity that cannot detected by sequence alignment were identified. By analyzing the results, we found that, sometimes, it is difficult to separate homologous from convergent evolution. Evaluation of the performance of our method by gene ontology term overlap showed that the precision of our method was excellent.

  12. A Novel GUI Based Interactive Work Flow Application for Exploratory and Batch Processing of Light Curves

    NASA Astrophysics Data System (ADS)

    Morikawa, E.; Dave, R.; Protopapas, P.

    2008-08-01

    Current methodologies for extracting desired data from light curves involves a complicated process that is often not portable to other projects or other disciplines. To create a more generic environment to easily filter, correct, and clean light-curve data from a myriad of sources; we have developed an XML based work-flow application which allows for a standard, yet scalable and flexible way to handle light curve processing. Wrapped in a Python powered interactive GUI, this application offers astronomers an environment to easily experiment with various light curve filtering techniques. Once a favorable filtering process is discovered, the sequence of filters can be stored, reused, and then applied in batch to large set of raw light curves.

  13. X based interactive computer graphics applications for aerodynamic design and education

    NASA Technical Reports Server (NTRS)

    Benson, Thomas J.; Higgs, C. Fred, III

    1995-01-01

    Six computer applications packages have been developed to solve a variety of aerodynamic problems in an interactive environment on a single workstation. The packages perform classical one dimensional analysis under the control of a graphical user interface and can be used for preliminary design or educational purposes. The programs were originally developed on a Silicon Graphics workstation and used the GL version of the FORMS library as the graphical user interface. These programs have recently been converted to the XFORMS library of X based graphics widgets and have been tested on SGI, IBM, Sun, HP and PC-Lunix computers. The paper will show results from the new VU-DUCT program as a prime example. VU-DUCT has been developed as an educational package for the study of subsonic open and closed loop wind tunnels.

  14. AUV Underwater Positioning Algorithm Based on Interactive Assistance of SINS and LBL.

    PubMed

    Zhang, Tao; Chen, Liping; Li, Yao

    2015-01-01

    This paper studies an underwater positioning algorithm based on the interactive assistance of a strapdown inertial navigation system (SINS) and LBL, and this algorithm mainly includes an optimal correlation algorithm with aided tracking of an SINS/Doppler velocity log (DVL)/magnetic compass pilot (MCP), a three-dimensional TDOA positioning algorithm of Taylor series expansion and a multi-sensor information fusion algorithm. The final simulation results show that compared to traditional underwater positioning algorithms, this scheme can not only directly correct accumulative errors caused by a dead reckoning algorithm, but also solves the problem of ambiguous correlation peaks caused by multipath transmission of underwater acoustic signals. The proposed method can calibrate the accumulative error of the AUV position more directly and effectively, which prolongs the underwater operating duration of the AUV. PMID:26729120

  15. Implementation of a home-based interactive training system for fall prevention: requirements and challenges.

    PubMed

    Kiselev, Jörn; Haesner, Marten; Gövercin, Mehmet; Steinhagen-Thiessen, Elisabeth

    2015-01-01

    A critical need exists for rehabilitation for improving older adults' physical abilities, especially in the field of fall prevention. Although virtual reality and ambient-assistive technology-based approaches are promising, they are cost intensive and frequently face significant obstacles during the developmental process. The authors of the current article developed a motivational interactive training system for fall prevention and stroke rehabilitation and planned a pilot study to measure its usability, user acceptance, and effect on physical abilities and quality of life. Usability results from a field trial are presented. The purpose of the current article is to describe the technological and organizational problems during the development process and field trial. Recommendations for overcoming these barriers are described. These experiences should be taken into account when planning further field trials with assistive technology and older adults.

  16. Authentication Based on Non-Interactive Zero-Knowledge Proofs for the Internet of Things.

    PubMed

    Martín-Fernández, Francisco; Caballero-Gil, Pino; Caballero-Gil, Cándido

    2016-01-07

    This paper describes the design and analysis of a new scheme for the authenticated exchange of confidential information in insecure environments within the Internet of Things, which allows a receiver of a message to authenticate the sender and compute a secret key shared with it. The proposal is based on the concept of a non-interactive zero-knowledge proof, so that in a single communication, relevant data may be inferred to verify the legitimacy of the sender. Besides, the new scheme uses the idea under the Diffie-Hellman protocol for the establishment of a shared secret key. The proposal has been fully developed for platforms built on the Android Open Source Project, so it can be used in any device or sensor with this operating system. This work provides a performance study of the implementation and a comparison between its promising results and others obtained with similar schemes.

  17. A model for strong interactions at high energy based on the CGC/saturation approach

    NASA Astrophysics Data System (ADS)

    Gotsman, E.; Levin, E.; Maor, U.

    2015-01-01

    We present our first attempt to develop a model for soft interactions at high energy, based on the BFKL Pomeron and the CGC/saturation approach. We construct an eikonal-type model, whose opacity is determined by the exchange of the dressed BFKL Pomeron. The Green function of the Pomeron is calculated in the framework of the CGC/saturation approach. Using five parameters we achieve a reasonable description of the experimental data at high energies ( TeV) with overall . The model results in different behavior for the single- and double-diffraction cross sections at high energies. The single-diffraction cross section reaches a saturated value (about 10 mb) at high energies, while the double-diffraction cross section continues growing slowly.

  18. A real-space interactive holographic display based on a large-aperture HOE

    NASA Astrophysics Data System (ADS)

    Khan, Javid; Can, Chi; Greenaway, Alan; Underwood, Ian

    2013-03-01

    We have built a HOE-based display capable of reconstructing arbitrary images, in mid-air at fixed focal depths, that can interact with the viewer in real-time. The display system comprises the HOE, a laser projection subsystem, a Kinect motion sensor and an embedded controller. The HOE functions as a fast converging lens and is A4 page sized (20×30cm). We have written a number of simple apps for the display that allow the user to draw in mid-air or to touch icons and buttons that trigger other actions. The reconstructed holographic images are high-resolution, relatively bright and visible under ambient indoor lighting conditions.

  19. Extending fragment-based free energy calculations with library Monte Carlo simulation: annealing in interaction space.

    PubMed

    Lettieri, Steven; Mamonov, Artem B; Zuckerman, Daniel M

    2011-04-30

    Pre-calculated libraries of molecular fragment configurations have previously been used as a basis for both equilibrium sampling (via library-based Monte Carlo) and for obtaining absolute free energies using a polymer-growth formalism. Here, we combine the two approaches to extend the size of systems for which free energies can be calculated. We study a series of all-atom poly-alanine systems in a simple dielectric solvent and find that precise free energies can be obtained rapidly. For instance, for 12 residues, less than an hour of single-processor time is required. The combined approach is formally equivalent to the annealed importance sampling algorithm; instead of annealing by decreasing temperature, however, interactions among fragments are gradually added as the molecule is grown. We discuss implications for future binding affinity calculations in which a ligand is grown into a binding site.

  20. An Interactive Method Based on the Live Wire for Segmentation of the Breast in Mammography Images

    PubMed Central

    Zewei, Zhang; Tianyue, Wang; Li, Guo; Tingting, Wang; Lu, Xu

    2014-01-01

    In order to improve accuracy of computer-aided diagnosis of breast lumps, the authors introduce an improved interactive segmentation method based on Live Wire. This paper presents the Gabor filters and FCM clustering algorithm is introduced to the Live Wire cost function definition. According to the image FCM analysis for image edge enhancement, we eliminate the interference of weak edge and access external features clear segmentation results of breast lumps through improving Live Wire on two cases of breast segmentation data. Compared with the traditional method of image segmentation, experimental results show that the method achieves more accurate segmentation of breast lumps and provides more accurate objective basis on quantitative and qualitative analysis of breast lumps. PMID:25024740

  1. An interactive method based on the live wire for segmentation of the breast in mammography images.

    PubMed

    Zewei, Zhang; Tianyue, Wang; Li, Guo; Tingting, Wang; Lu, Xu

    2014-01-01

    In order to improve accuracy of computer-aided diagnosis of breast lumps, the authors introduce an improved interactive segmentation method based on Live Wire. This paper presents the Gabor filters and FCM clustering algorithm is introduced to the Live Wire cost function definition. According to the image FCM analysis for image edge enhancement, we eliminate the interference of weak edge and access external features clear segmentation results of breast lumps through improving Live Wire on two cases of breast segmentation data. Compared with the traditional method of image segmentation, experimental results show that the method achieves more accurate segmentation of breast lumps and provides more accurate objective basis on quantitative and qualitative analysis of breast lumps.

  2. AUV Underwater Positioning Algorithm Based on Interactive Assistance of SINS and LBL

    PubMed Central

    Zhang, Tao; Chen, Liping; Li, Yao

    2015-01-01

    This paper studies an underwater positioning algorithm based on the interactive assistance of a strapdown inertial navigation system (SINS) and LBL, and this algorithm mainly includes an optimal correlation algorithm with aided tracking of an SINS/Doppler velocity log (DVL)/magnetic compass pilot (MCP), a three-dimensional TDOA positioning algorithm of Taylor series expansion and a multi-sensor information fusion algorithm. The final simulation results show that compared to traditional underwater positioning algorithms, this scheme can not only directly correct accumulative errors caused by a dead reckoning algorithm, but also solves the problem of ambiguous correlation peaks caused by multipath transmission of underwater acoustic signals. The proposed method can calibrate the accumulative error of the AUV position more directly and effectively, which prolongs the underwater operating duration of the AUV. PMID:26729120

  3. Methods for simulation-based analysis of fluid-structure interaction.

    SciTech Connect

    Barone, Matthew Franklin; Payne, Jeffrey L.

    2005-10-01

    Methods for analysis of fluid-structure interaction using high fidelity simulations are critically reviewed. First, a literature review of modern numerical techniques for simulation of aeroelastic phenomena is presented. The review focuses on methods contained within the arbitrary Lagrangian-Eulerian (ALE) framework for coupling computational fluid dynamics codes to computational structural mechanics codes. The review treats mesh movement algorithms, the role of the geometric conservation law, time advancement schemes, wetted surface interface strategies, and some representative applications. The complexity and computational expense of coupled Navier-Stokes/structural dynamics simulations points to the need for reduced order modeling to facilitate parametric analysis. The proper orthogonal decomposition (POD)/Galerkin projection approach for building a reduced order model (ROM) is presented, along with ideas for extension of the methodology to allow construction of ROMs based on data generated from ALE simulations.

  4. Parametric amplification of orbital angular momentum beams based on light-acoustic interaction

    SciTech Connect

    Gao, Wei E-mail: zhuzhihandd@sina.com; Mu, Chunyuan; Yang, Yuqiang; Li, Hongwei; Zhu, Zhihan E-mail: zhuzhihandd@sina.com

    2015-07-27

    A high fidelity amplification of beams carrying orbital angular momentum (OAM) is very crucial for OAM multiplexing and other OAM-based applications. Here, we report a demonstration of stimulated Brillouin amplification for OAM beams, and the energy conversion efficiency of photon-phonon coupling and the phase structure of amplified signals are investigated in collinear and noncollinear frame systems, respectively. Our results demonstrate that the OAM signals can be efficiently amplified without obvious noise introduced, and the modes of output signal are independent of the pump modes or the geometrical frames. Meanwhile, an OAM state depending on the optical modes and the geometrical frames is loaded into phonons by coherent light-acoustic interaction, which reveals more fundamental significance and a great application potential in OAM-multiplexing.

  5. An agent-based interaction model for Chinese personal income distribution

    NASA Astrophysics Data System (ADS)

    Zou, Yijiang; Deng, Weibing; Li, Wei; Cai, Xu

    2015-10-01

    The personal income distribution in China was studied by employing the data from China Household Income Projects (CHIP) between 1990 and 2002. It was observed that the low and middle income regions could be described by the log-normal law, while the large income region could be well fitted by the power law. To characterize these empirical findings, a stochastic interactive model with mean-field approach was discussed, and the analytic result shows that the wealth distribution is of the Pareto type. Then we explored the agent-based model on networks, in which the exchange of wealth among agents depends on their connectivity. Numerical results suggest that the wealth of agents would largely rely on their connectivity, and the Pareto index of the simulated wealth distributions is comparable to those of the empirical data. The Pareto behavior of the tails of the empirical wealth distributions is consistent with that of the 'mean-field' model, as well as numerical simulations.

  6. AUV Underwater Positioning Algorithm Based on Interactive Assistance of SINS and LBL.

    PubMed

    Zhang, Tao; Chen, Liping; Li, Yao

    2015-12-30

    This paper studies an underwater positioning algorithm based on the interactive assistance of a strapdown inertial navigation system (SINS) and LBL, and this algorithm mainly includes an optimal correlation algorithm with aided tracking of an SINS/Doppler velocity log (DVL)/magnetic compass pilot (MCP), a three-dimensional TDOA positioning algorithm of Taylor series expansion and a multi-sensor information fusion algorithm. The final simulation results show that compared to traditional underwater positioning algorithms, this scheme can not only directly correct accumulative errors caused by a dead reckoning algorithm, but also solves the problem of ambiguous correlation peaks caused by multipath transmission of underwater acoustic signals. The proposed method can calibrate the accumulative error of the AUV position more directly and effectively, which prolongs the underwater operating duration of the AUV.

  7. Desorption electrospray ionization-based imaging of interaction between vascular graft and human body.

    PubMed

    Bodzon-Kulakowska, Anna; Drabik, Anna; Mystkowska, Joanna; Chlabicz, Michal; Gacko, Marek; Dabrowski, Jan R; Mielczarek, Przemyslaw; Silberring, Jerzy; Suder, Piotr

    2016-01-01

    The desorption electrospray ionization-mass spectrometry imaging (DESI-MSI) is known as a fast and convenient MS-based method for lipid imaging in various biological materials. Here, we applied this technique to visualize lipid distribution in a vascular graft removed from a patient's body. This is a good example of the DESI system capabilities toward imaging of interaction between artificial material and living tissues. Detailed analysis allowed for visualization of the spatial distribution of selected lipids in this implanted, artificial material. Not only DESI-MSI allowed visualization of lipid distribution in the investigated material but also enabled identification of the detected molecular species using MS/MS. Here, this technique was successfully used to evaluate the saturation and spatial distribution of endogenous lipids in the artificial vascular graft. Unambiguous identification of the lipids was done with the aid of fragmentation procedure. We also showed that various lipids localize preferably in graft material or internal plaque existing inside the graft.

  8. An interactive web-based system using cloud for large-scale visual analytics

    NASA Astrophysics Data System (ADS)

    Kaseb, Ahmed S.; Berry, Everett; Rozolis, Erik; McNulty, Kyle; Bontrager, Seth; Koh, Youngsol; Lu, Yung-Hsiang; Delp, Edward J.

    2015-03-01

    Network cameras have been growing rapidly in recent years. Thousands of public network cameras provide tremendous amount of visual information about the environment. There is a need to analyze this valuable information for a better understanding of the world around us. This paper presents an interactive web-based system that enables users to execute image analysis and computer vision techniques on a large scale to analyze the data from more than 65,000 worldwide cameras. This paper focuses on how to use both the system's website and Application Programming Interface (API). Given a computer program that analyzes a single frame, the user needs to make only slight changes to the existing program and choose the cameras to analyze. The system handles the heterogeneity of the geographically distributed cameras, e.g. different brands, resolutions. The system allocates and manages Amazon EC2 and Windows Azure cloud resources to meet the analysis requirements.

  9. Authentication Based on Non-Interactive Zero-Knowledge Proofs for the Internet of Things

    PubMed Central

    Martín-Fernández, Francisco; Caballero-Gil, Pino; Caballero-Gil, Cándido

    2016-01-01

    This paper describes the design and analysis of a new scheme for the authenticated exchange of confidential information in insecure environments within the Internet of Things, which allows a receiver of a message to authenticate the sender and compute a secret key shared with it. The proposal is based on the concept of a non-interactive zero-knowledge proof, so that in a single communication, relevant data may be inferred to verify the legitimacy of the sender. Besides, the new scheme uses the idea under the Diffie–Hellman protocol for the establishment of a shared secret key. The proposal has been fully developed for platforms built on the Android Open Source Project, so it can be used in any device or sensor with this operating system. This work provides a performance study of the implementation and a comparison between its promising results and others obtained with similar schemes. PMID:26751454

  10. Increasing condom use in heterosexual men: development of a theory-based interactive digital intervention.

    PubMed

    Webster, R; Michie, S; Estcourt, C; Gerressu, M; Bailey, J V

    2016-09-01

    Increasing condom use to prevent sexually transmitted infections is a key public health goal. Interventions are more likely to be effective if they are theory- and evidence-based. The Behaviour Change Wheel (BCW) provides a framework for intervention development. To provide an example of how the BCW was used to develop an intervention to increase condom use in heterosexual men (the MenSS website), the steps of the BCW intervention development process were followed, incorporating evidence from the research literature and views of experts and the target population. Capability (e.g. knowledge) and motivation (e.g. beliefs about pleasure) were identified as important targets of the intervention. We devised ways to address each intervention target, including selecting interactive features and behaviour change techniques. The BCW provides a useful framework for integrating sources of evidence to inform intervention content and deciding which influences on behaviour to target. PMID:27528531

  11. MacPASCO - A Macintosh-based, interactive graphic preprocessor for structural analysis and sizing

    NASA Technical Reports Server (NTRS)

    Lucas, S. H.; Davis, R. C.

    1991-01-01

    MacPASCO, an interactive, graphic preprocessor for panel design is described. MacPASCO creates input for PASCO, an existing computer code for structural analysis and optimization of longitudinal stiffened composite panels. By using a graphical user interface, MacPASCO simplifies the specification of panel geometry and reduces user input errors, thus making the modeling and analysis of panel designs more efficient. The user draws the initial structural geometry on the computer screen, then uses a combination of graphic and text inputs to: refine the structural geometry, specify information required for analysis such as panel load conditions, and define design variables and constraints for minimum-mass optimization. Composite panel design is an ideal application because the graphical user interface can: serve as a visual aid, eliminate the tedious aspects of text-based input, and eliminate many sources of input errors.

  12. Density-based Energy Decomposition Analysis for Intermolecular Interactions with Variationally Determined Intermediate State Energies

    SciTech Connect

    Wu, Q.; Ayers, P.W.; Zhang, Y.

    2009-10-28

    The first purely density-based energy decomposition analysis (EDA) for intermolecular binding is developed within the density functional theory. The most important feature of this scheme is to variationally determine the frozen density energy, based on a constrained search formalism and implemented with the Wu-Yang algorithm [Q. Wu and W. Yang, J. Chem. Phys. 118, 2498 (2003) ]. This variational process dispenses with the Heitler-London antisymmetrization of wave functions used in most previous methods and calculates the electrostatic and Pauli repulsion energies together without any distortion of the frozen density, an important fact that enables a clean separation of these two terms from the relaxation (i.e., polarization and charge transfer) terms. The new EDA also employs the constrained density functional theory approach [Q. Wu and T. Van Voorhis, Phys. Rev. A 72, 24502 (2005)] to separate out charge transfer effects. Because the charge transfer energy is based on the density flow in real space, it has a small basis set dependence. Applications of this decomposition to hydrogen bonding in the water dimer and the formamide dimer show that the frozen density energy dominates the binding in these systems, consistent with the noncovalent nature of the interactions. A more detailed examination reveals how the interplay of electrostatics and the Pauli repulsion determines the distance and angular dependence of these hydrogen bonds.

  13. Covariant Evolutionary Event Analysis for Base Interaction Prediction Using a Relational Database Management System for RNA.

    PubMed

    Xu, Weijia; Ozer, Stuart; Gutell, Robin R

    2009-01-01

    With an increasingly large amount of sequences properly aligned, comparative sequence analysis can accurately identify not only common structures formed by standard base pairing but also new types of structural elements and constraints. However, traditional methods are too computationally expensive to perform well on large scale alignment and less effective with the sequences from diversified phylogenetic classifications. We propose a new approach that utilizes coevolutional rates among pairs of nucleotide positions using phylogenetic and evolutionary relationships of the organisms of aligned sequences. With a novel data schema to manage relevant information within a relational database, our method, implemented with a Microsoft SQL Server 2005, showed 90% sensitivity in identifying base pair interactions among 16S ribosomal RNA sequences from Bacteria, at a scale 40 times bigger and 50% better sensitivity than a previous study. The results also indicated covariation signals for a few sets of cross-strand base stacking pairs in secondary structure helices, and other subtle constraints in the RNA structure. PMID:20502534

  14. Covariant Evolutionary Event Analysis for Base Interaction Prediction Using a Relational Database Management System for RNA

    PubMed Central

    Xu, Weijia; Ozer, Stuart; Gutell, Robin R.

    2010-01-01

    With an increasingly large amount of sequences properly aligned, comparative sequence analysis can accurately identify not only common structures formed by standard base pairing but also new types of structural elements and constraints. However, traditional methods are too computationally expensive to perform well on large scale alignment and less effective with the sequences from diversified phylogenetic classifications. We propose a new approach that utilizes coevolutional rates among pairs of nucleotide positions using phylogenetic and evolutionary relationships of the organisms of aligned sequences. With a novel data schema to manage relevant information within a relational database, our method, implemented with a Microsoft SQL Server 2005, showed 90% sensitivity in identifying base pair interactions among 16S ribosomal RNA sequences from Bacteria, at a scale 40 times bigger and 50% better sensitivity than a previous study. The results also indicated covariation signals for a few sets of cross-strand base stacking pairs in secondary structure helices, and other subtle constraints in the RNA structure. PMID:20502534

  15. Application of an interactive computer program to manage a problem-based dental curriculum.

    PubMed

    McGrath, Colman; Comfort, Margaret B; Luo, Yan; Samaranayake, Lakshman P; Clark, Christopher D

    2006-04-01

    Managing the change from traditional to problem-based learning (PBL) curricula is complex because PBL employs problem cases as the vehicle for learning. Each problem case covers a wide range of different learning issues across many disciplines and is coordinated by different facilitators drawn from the school's multidisciplinary pool. The objective of this project was to adapt an interactive computer program to manage a problem-based dental curriculum. Through application of a commercial database software--CATs (Curriculum Analysis Tools)--an electronic database for all modules of a five-year problem-based program was developed. This involved inputting basic information on each problem case relating to competencies covered, key words (learning objectives), participating faculty, independent study, and homework assignments, as well as inputting information on contact hours. General reports were generated to provide an overview of the curriculum. In addition, competency, key word, manpower, and clock-hour reports at three levels (individual PBL course component, yearly, and the entire curriculum) were produced. Implications and uses of such reports are discussed. The adaptation of electronic technology for managing dental curricula for use in a PBL curriculum has implications for all those involved in managing new-style PBL dental curricula and those who have concerns about managing the PBL process. PMID:16595531

  16. Application of Biologically Based Lumping To Investigate the Toxicokinetic Interactions of a Complex Gasoline Mixture.

    PubMed

    Jasper, Micah N; Martin, Sheppard A; Oshiro, Wendy M; Ford, Jermaine; Bushnell, Philip J; El-Masri, Hisham

    2016-03-15

    People are often exposed to complex mixtures of environmental chemicals such as gasoline, tobacco smoke, water contaminants, or food additives. We developed an approach that applies chemical lumping methods to complex mixtures, in this case gasoline, based on biologically relevant parameters used in physiologically based pharmacokinetic (PBPK) modeling. Inhalation exposures were performed with rats to evaluate the performance of our PBPK model and chemical lumping method. There were 109 chemicals identified and quantified in the vapor in the chamber. The time-course toxicokinetic profiles of 10 target chemicals were also determined from blood samples collected during and following the in vivo experiments. A general PBPK model was used to compare the experimental data to the simulated values of blood concentration for 10 target chemicals with various numbers of lumps, iteratively increasing from 0 to 99. Large reductions in simulation error were gained by incorporating enzymatic chemical interactions, in comparison to simulating the individual chemicals separately. The error was further reduced by lumping the 99 nontarget chemicals. The same biologically based lumping approach can be used to simplify any complex mixture with tens, hundreds, or thousands of constituents. PMID:26889718

  17. vPresent: A cloud based 3D virtual presentation environment for interactive product customization

    NASA Astrophysics Data System (ADS)

    Nan, Xiaoming; Guo, Fei; He, Yifeng; Guan, Ling

    2013-09-01

    In modern society, many companies offer product customization services to their customers. There are two major issues in providing customized products. First, product manufacturers need to effectively present their products to the customers who may be located in any geographical area. Second, customers need to be able to provide their feedbacks on the product in real-time. However, the traditional presentation approaches cannot effectively convey sufficient information for the product or efficiently adjust product design according to customers' real-time feedbacks. In order to address these issues, we propose vPresent , a cloud based 3D virtual presentation environment, in this paper. In vPresent, the product expert can show the 3D virtual product to the remote customers and dynamically customize the product based on customers' feedbacks, while customers can provide their opinions in real time when they are viewing a vivid 3D visualization of the product. Since the proposed vPresent is a cloud based system, the customers are able to access the customized virtual products from anywhere at any time, via desktop, laptop, or even smart phone. The proposed vPresent is expected to effectively deliver 3D visual information to customers and provide an interactive design platform for the development of customized products.

  18. Application of Biologically Based Lumping To Investigate the Toxicokinetic Interactions of a Complex Gasoline Mixture.

    PubMed

    Jasper, Micah N; Martin, Sheppard A; Oshiro, Wendy M; Ford, Jermaine; Bushnell, Philip J; El-Masri, Hisham

    2016-03-15

    People are often exposed to complex mixtures of environmental chemicals such as gasoline, tobacco smoke, water contaminants, or food additives. We developed an approach that applies chemical lumping methods to complex mixtures, in this case gasoline, based on biologically relevant parameters used in physiologically based pharmacokinetic (PBPK) modeling. Inhalation exposures were performed with rats to evaluate the performance of our PBPK model and chemical lumping method. There were 109 chemicals identified and quantified in the vapor in the chamber. The time-course toxicokinetic profiles of 10 target chemicals were also determined from blood samples collected during and following the in vivo experiments. A general PBPK model was used to compare the experimental data to the simulated values of blood concentration for 10 target chemicals with various numbers of lumps, iteratively increasing from 0 to 99. Large reductions in simulation error were gained by incorporating enzymatic chemical interactions, in comparison to simulating the individual chemicals separately. The error was further reduced by lumping the 99 nontarget chemicals. The same biologically based lumping approach can be used to simplify any complex mixture with tens, hundreds, or thousands of constituents.

  19. Influences of acid-base property of membrane on interfacial interactions related with membrane fouling in a membrane bioreactor based on thermodynamic assessment.

    PubMed

    Zhao, Leihong; Qu, Xiaolu; Zhang, Meijia; Lin, Hongjun; Zhou, Xiaoling; Liao, Bao-Qiang; Mei, Rongwu; Hong, Huachang

    2016-08-01

    Failure of membrane hydrophobicity in predicting membrane fouling requires a more reliable indicator. In this study, influences of membrane acid base (AB) property on interfacial interactions in two different interaction scenarios in a submerged membrane bioreactor (MBR) were studied according to thermodynamic approaches. It was found that both the polyvinylidene fluoride (PVDF) membrane and foulant samples in the MBR had relatively high electron donor (γ(-)) component and low electron acceptor (γ(+)) component. For both of interaction scenarios, AB interaction was the major component of the total interaction. The results showed that, the total interaction monotonically decreased with membrane γ(-), while was marginally affected by membrane γ(+), suggesting that γ(-) could act as a reliable indicator for membrane fouling prediction. This study suggested that membrane modification for fouling mitigation should orient to improving membrane surface γ(-) component rather than hydrophilicity. PMID:27155263

  20. Reducing Aggression and Impulsivity Through School-based Prevention Programs: A Gene by Intervention Interaction

    PubMed Central

    Musci, Rashelle J.; Bradshaw, Catherine P.; Maher, Brion; Uhl, George R.; Kellam, Sheppard G.; Ialongo, Nicholas S.

    2013-01-01

    A variety of school-based, universal preventive interventions have been developed to address behavioral and mental health problems. Unfortunately, few have been evaluated within the context of randomized controlled trials with long term follow-up. Even fewer still have examined the potential genetic factors that may drive differential impact of the intervention. In the present analysis, we examine the extent to which the longitudinal effects of two elementary school-based interventions were moderated by the brain derived neurotrophic factor (BDNF) gene, which has been linked with aggression and impulsive behaviors. The sample included 678 urban, primarily African American children who were randomly assigned along with their teachers to one of three first grade classrooms conditions: classroom-centered (CC) intervention, Family School Partnership (FSP), or a control condition. Teacher ratings of youth’s aggressive and impulsive behavior were obtained at baseline and in grades 6-12. Single nucleotide polymorphisms (SNPs) from the BDNF gene were extracted from the genome wide data. Longitudinal latent trait-state error models indicated a significant interaction between a particular profile of the BDNF SNP cluster (46% of sample) and CC intervention on impulsivity (β = −.27, p < .05). A similar interaction was observed for the BDNF SNP cluster and the CC intervention on aggression (β = −.14, p < .05). The results suggest that the impacts of preventive interventions in early elementary school on late adolescent outcomes of impulsivity and aggression can be potentially modified by genetic factors, such as BDNF. However, replication of these results is necessary before firm conclusions can be drawn. PMID:24178584

  1. Reducing aggression and impulsivity through school-based prevention programs: a gene by intervention interaction.

    PubMed

    Musci, Rashelle J; Bradshaw, Catherine P; Maher, Brion; Uhl, George R; Kellam, Sheppard G; Ialongo, Nicholas S

    2014-12-01

    A variety of school-based, universal preventive interventions have been developed to address behavioral and mental health problems. Unfortunately, few have been evaluated within the context of randomized controlled trials with long-term follow-up. Even fewer still have examined the potential genetic factors that may drive differential impact of the intervention. In the present analysis, we examine the extent to which the longitudinal effects of two elementary school-based interventions were moderated by the brain-derived neurotrophic factor (BDNF) gene, which has been linked with aggression and impulsive behaviors. The sample included 678 urban, primarily African American children who were randomly assigned along with their teachers to one of three first grade classroom conditions: classroom-centered (CC) intervention, Family School Partnership (FSP), or a control condition. The teacher ratings of the youth's aggressive and impulsive behavior were obtained at baseline and in grades 6-12. Single-nucleotide polymorphisms (SNPs) from the BDNF gene were extracted from the genome-wide data. Longitudinal latent trait-state-error models indicated a significant interaction between a particular profile of the BDNF SNP cluster (46 % of sample) and CC intervention on impulsivity (β = -.27, p < .05). A similar interaction was observed for the BDNF SNP cluster and the CC intervention on aggression (β = -.14, p < .05). The results suggest that the impacts of preventive interventions in early elementary school on late adolescent outcomes of impulsivity and aggression can be potentially modified by genetic factors, such as BDNF. However, replication of these results is necessary before firm conclusions can be drawn.

  2. Experimental and Modeling Studies of Water-Silica-PDMS Interactions in M97-Based Stress Cushions

    SciTech Connect

    Maxwell, R; Dinh, L; Gee, R; Balazs, B

    2002-04-18

    In filled PDMS based composites, such as M97XX stress cushions, significant mechanical reinforcement of the polymer component is obtained from hydrogen bonding between the silica filler surface hydroxyls and the siloxane polymer backbone. It is expected that these interactions are influenced by the amount and structure of interfacial water. We have chosen to investigate in detail the effect of chemisorbed and physisorbed water on the interfacial structure and dynamics in silica-filled PDMS-based composites. Toward this end, we have combined classical molecular dynamics simulations and experimental studies employing nanoindentation, temperature programmed desorption (TPD), Dynamic Mechanical Analysis (DMA), and Nuclear Magnetic Resonance (NMR) analyses. Our TPD results suggest that moisture desorption and adsorption in M9787 can be approximated by the interaction of its silica constituents (Cab-0-Sil-M-7D and Hi-Sil-233) with moisture. Our experimental data also reveal that, in general, as heat-treated silica particles are exposed to moisture, chemisorbed states, then physisorbed states are gradually filled up in that order. Molecular modeling results suggest that the polymer-silica contact distance and the mobility of interfacial polymer chains significantly decreased as the hydration level at the interface was reduced. The reduced mobility of the PDMS chains in the interfacial domain reduced the bulk motional properties of the polymer, thus causing an effective ''stiffening'' of the polymer matrix. This finding is consistent with both NMR and modal analysis experimental data on desiccated M97XX samples. We show that both the motional dynamics of the polymer and the structure in the interfacial region are indeed controlled by the concentration of water in this region and that by considering the thermodynamic and kinetic parameters derived from TPD experiments, we can begin to approach a predictive capability for the time dependence of water speciation and thus the

  3. A new clinical evidence-based gene-environment interaction model of depression.

    PubMed

    Bagdy, Gyorgy; Juhasz, Gabriella; Gonda, Xenia

    2012-12-01

    In our current understanding of mood disorders, the role of genes is diverse including the mediation of the effects of provoking and protective factors. Different or partially overlapping gene sets play a major role in the development of personality traits including also affective temperaments, in the mediation of the effects of environmental factors, and in the interaction of these elements in the development of depression. Certain genes are associated with personality traits and temperaments including e.g., neuroticism, impulsivity, openness, rumination and extroversion. Environmental factors consist of external (early and provoking life events, seasonal changes, social support etc.) and internal factors (hormones, biological rhythm generators, comorbid disorders etc). Some of these environmental factors, such as early life events and some prenatal events directly influence the development of personality traits and temperaments. In the NEWMOOD cohort polymorphisms of the genes of the serotonin transporter, 5-HT1A, 5-HT1B and 5-HT2A and endocannabinoid CB1 receptors, tryptophan hydroxylase, CREB1, BDNF and GIRK provide evidence for the involvement of these genes in the development of depression. Based on their role in this process they could be assigned to different gene sets. The role of certain genes, such as promoter polymorphisms of the serotonin transporter (5-HTTLPR) and CB1 receptor has been shown in more than one of the above factors. Furthermore, gene-gene interactions of these promoters associated with anxiety suggest the application of these polymorphisms in personalized medicine. In this review we introduce a new model including environmental factors, genes, trait and temperament markers based on human genetic studies.

  4. Multi-gas interaction modeling on decorated semiconductor interfaces: A novel Fermi distribution-based response isotherm and the inverse hard/soft acid/base concept

    NASA Astrophysics Data System (ADS)

    Laminack, William; Gole, James

    2015-12-01

    A unique MEMS/NEMS approach is presented for the modeling of a detection platform for mixed gas interactions. Mixed gas analytes interact with nanostructured decorating metal oxide island sites supported on a microporous silicon substrate. The Inverse Hard/Soft acid/base (IHSAB) concept is used to assess a diversity of conductometric responses for mixed gas interactions as a function of these nanostructured metal oxides. The analyte conductometric responses are well represented using a combination diffusion/absorption-based model for multi-gas interactions where a newly developed response absorption isotherm, based on the Fermi distribution function is applied. A further coupling of this model with the IHSAB concept describes the considerations in modeling of multi-gas mixed analyte-interface, and analyte-analyte interactions. Taking into account the molecular electronic interaction of both the analytes with each other and an extrinsic semiconductor interface we demonstrate how the presence of one gas can enhance or diminish the reversible interaction of a second gas with the extrinsic semiconductor interface. These concepts demonstrate important considerations in the array-based formats for multi-gas sensing and its applications.

  5. Hydrogen-hydrogen interaction in planar biphenyl: a theoretical study based on the interacting quantum atoms and Hirshfeld atomic energy partitioning methods.

    PubMed

    Eskandari, Kiamars; Van Alsenoy, Christian

    2014-10-01

    The nature of H-H interaction between ortho-hydrogen atoms in planar biphenyl is investigated by two different atomic energy partitioning methods, namely fractional occupation iterative Hirshfeld (FOHI) and interacting quantum atoms (IQA), and compared with the traditional virial-based approach of quantum theory of atoms in molecules (QTAIM). In agreement with Bader's hypothesis of H-H bonding, partitioning the atomic energy into intra-atomic and interatomic terms reveals that there is a net attractive interaction between the ortho-hydrogens in the planar biphenyl. This falsifies the classical view of steric repulsion between the hydrogens. In addition, in contrast to the traditional QTAIM energy analysis, both FOHI and IQA show that the total atomic energy of the ortho-hydrogens remains almost constant when they participate in the H-H interaction. Although, the interatomic part of atomic energy of the hydrogens plays a stabilizing role during the formation of the H-H bond, it is almost compensated by the destabilizing effects of the intra-atomic parts and consequently, the total energy of the hydrogens remains constant. The trends in the changes of intra-atomic and interatomic energy terms of ortho-hydrogens during H-H bond formation are very similar to those observed for the H2 molecule.

  6. The Effects of Computer-Supported Inquiry-Based Learning Methods and Peer Interaction on Learning Stellar Parallax

    ERIC Educational Resources Information Center

    Ruzhitskaya, Lanika

    2011-01-01

    The presented research study investigated the effects of computer-supported inquiry-based learning and peer interaction methods on effectiveness of learning a scientific concept. The stellar parallax concept was selected as a basic, and yet important in astronomy, scientific construct, which is based on a straightforward relationship of several…

  7. The Effects of Web-Based Interactive Virtual Tours on the Development of Prospective Mathematics Teachers' Spatial Skills

    ERIC Educational Resources Information Center

    Kurtulus, Aytac

    2013-01-01

    The aim of this study was to investigate the effects of web-based interactive virtual tours on the development of prospective mathematics teachers' spatial skills. The study was designed based on experimental method. The "one-group pre-test post-test design" of this method was taken as the research model. The study was conducted with 3rd year…

  8. Analysis of neural interaction in motor cortex during reach-to-grasp task based on Dynamic Bayesian Networks.

    PubMed

    Sang, Dong; Lv, Bin; He, Huiguang; He, Jiping; Wang, Feiyue

    2010-01-01

    In this work, we took the analysis of neural interaction based on the data recorded from the motor cortex of a monkey, when it was trained to complete multi-targets reach-to-grasp tasks. As a recently proved effective tool, Dynamic Bayesian Network (DBN) was applied to model and infer interactions of dependence between neurons. In the results, the gained networks of neural interactions, which correspond to different tasks with different directions and orientations, indicated that the target information was not encoded in simple ways by neuronal networks. We also explored the difference of neural interactions between delayed period and peri-movement period during reach-to-grasp task. We found that the motor control process always led to relatively more complex neural interaction networks than the plan thinking process. PMID:21096882

  9. Visualization of magnetic dipolar interaction based on scanning transmission X-ray microscopy

    NASA Astrophysics Data System (ADS)

    Ohtori, Hiroyuki; Iwano, Kaoru; Mitsumata, Chiharu; Takeichi, Yasuo; Yano, Masao; Kato, Akira; Miyamoto, Noritaka; Shoji, Tetsuya; Manabe, Akira; Ono, Kanta

    2014-04-01

    Using scanning transmission X-ray microscopy (STXM), in this report we visualized the magnetic dipolar interactions in nanocrystalline Nd-Fe-B magnets and imaged their magnetization distributions at various applied fields. We calculated the magnetic dipolar interaction by analyzing the interaction between the magnetization at each point and those at the other points on the STXM image.

  10. Ground-based Network and Supersite Measurements for Studying Aerosol Properties and Aerosol-Cloud Interactions

    NASA Technical Reports Server (NTRS)

    Tsay, Si-Chee; Holben, Brent N.

    2008-01-01

    From radiometric principles, it is expected that the retrieved properties of extensive aerosols and clouds from reflected/emitted measurements by satellite (and/or aircraft) should be consistent with those retrieved from transmitted/emitted radiance observed at the surface. Although space-borne remote sensing observations contain large spatial domain, they are often plagued by contamination of surface signatures. Thus, ground-based in-situ and remote-sensing measurements, where signals come directly from atmospheric constituents, the sun, and the Earth-atmosphere interactions, provide additional information content for comparisons that confirm quantitatively the usefulness of the integrated surface, aircraft, and satellite datasets. The development and deployment of AERONET (AErosol RObotic NETwork) sunphotometer network and SMART-COMMIT (Surface-sensing Measurements for Atmospheric Radiative Transfer - Chemical, Optical & Microphysical Measurements of In-situ Troposphere) mobile supersite are aimed for the optimal utilization of collocated ground-based observations as constraints to yield higher fidelity satellite retrievals and to determine any sampling bias due to target conditions. To characterize the regional natural and anthropogenic aerosols, AERONET is an internationally federated network of unique sunphotometry that contains more than 250 permanent sites worldwide. Since 1993, there are more than 480 million aerosol optical depth observations and about 15 sites have continuous records longer than 10 years for annual/seasonal trend analyses. To quantify the energetics of the surface-atmosphere system and the atmospheric processes, SMART-COMMIT instrument into three categories: flux radiometer, radiance sensor and in-situ probe. Through participation in many satellite remote-sensing/retrieval and validation projects over eight years, SMART-COMMIT have gradually refine( and been proven vital for field deployment. In this paper, we will demonstrate the

  11. Interactive Resource Planning—An Anticipative Concept in the Simulation-Based Decision Support System EXPOSIM

    NASA Astrophysics Data System (ADS)

    Leopold-Wildburger, Ulrike; Pickl, Stefan

    2008-10-01

    In our research we intend to use experiments to study human behavior in a simulation environment based on a simple Lotka-Volterra predator-prey ecology. The aim is to study the influence of participants' harvesting strategies and certain personality traits derived from [1] on the outcome in terms of sustainability and economic performance. Such an approach is embedded in a research program which intends to develop and understand interactive resource planning processes. We present the general framework as well as the new decision support system EXPOSIM. The key element is the combination of experimental design, analytical understanding of time-discrete systems (especially Lotka-Volterra systems) and economic performance. In the first part, the general role of laboratory experiments is discussed. The second part summarizes the concept of sustainable development. It is taken from [18]. As we use Lotka-Volterra systems as the basis for our simulations a theoretical framework is described afterwards. It is possible to determine optimal behavior for those systems. The empirical setting is based on the empirical approach that the subjects are put into the position of a decision-maker. They are able to model the environment in such a way that harvesting can be observed. We suggest an experimental setting which might lead to new insights in an anticipatory sense.

  12. Computational Model of Population Dynamics Based on the Cell Cycle and Local Interactions

    SciTech Connect

    Oprisan, Sorinel Adrian; Oprisan, Ana

    2005-03-31

    Our study bridges cellular (mesoscopic) level interactions and global population (macroscopic) dynamics of carcinoma. The morphological differences and transitions between well and smooth defined benign tumors and tentacular malignat tumors suggest a theoretical analysis of tumor invasion based on the development of mathematical models exhibiting bifurcations of spatial patterns in the density of tumor cells. Our computational model views the most representative and clinically relevant features of oncogenesis as a fight between two distinct sub-systems: the immune system of the host and the neoplastic system. We implemented the neoplastic sub-system using a three-stage cell cycle: active, dormant, and necrosis. The second considered sub-system consists of cytotoxic active (effector) cells -- EC, with a very broad phenotype ranging from NK cells to CTL cells, macrophages, etc. Based on extensive numerical simulations, we correlated the fractal dimensions for carcinoma, which could be obtained from tumor imaging, with the malignat stage. Our computational model was able to also simulate the effects of surgical, chemotherapeutical, and radiotherapeutical treatments.

  13. Mathematical modeling of CSF pulsatile hydrodynamics based on fluid-solid interaction.

    PubMed

    Masoumi, Nafiseh; Bastani, Dariush; Najarian, Siamak; Ganji, Fariba; Farmanzad, Farhad; Seddighi, Amir Saeed

    2010-06-01

    Intracranial pressure (ICP) is derived from cerebral blood pressure and cerebrospinal fluid (CSF) circulatory dynamics and can be affected in the course of many diseases. Computer analysis of the ICP time pattern plays a crucial role in the diagnosis and treatment of those diseases. This study proposes the application of Linninger et al.'s [IEEE Trans. Biomed. Eng., vol. 52, no. 4, pp. 557-565, Apr. 2005] fluid-solid interaction model of CSF hydrodynamic in ventricular system based on our clinical data from a group of patients with brain parenchyma tumor. The clinical experiments include the arterial blood pressure (ABP), venous blood pressure, and ICP in the subarachnoid space (SAS). These data were used as inputs to the model that predicts the intracranial dynamic phenomena. In addition, the model has been modified by considering CSF pulsatile production rate as the major factor of CSF motion. The approximations of ventricle enlargement, CSF pressure distribution in the ventricular system and CSF velocity magnitude in the aqueduct and foramina were obtained in this study. The observation of reversal flow in the CSF flow pattern due to brain tissue compression is another finding in our investigation. Based on the experimental results, no existence of large transmural pressure differences were found in the brain system. The measured pressure drop in the ventricular system was less than 5 Pa. Moreover, the CSF flow pattern, ICP distribution, and velocity magnitude were in good agreement with the published models and CINE (phase-contrast magnetic resonance imaging) experiments, respectively.

  14. Appearance-based human gesture recognition using multimodal features for human computer interaction

    NASA Astrophysics Data System (ADS)

    Luo, Dan; Gao, Hua; Ekenel, Hazim Kemal; Ohya, Jun

    2011-03-01

    The use of gesture as a natural interface plays an utmost important role for achieving intelligent Human Computer Interaction (HCI). Human gestures include different components of visual actions such as motion of hands, facial expression, and torso, to convey meaning. So far, in the field of gesture recognition, most previous works have focused on the manual component of gestures. In this paper, we present an appearance-based multimodal gesture recognition framework, which combines the different groups of features such as facial expression features and hand motion features which are extracted from image frames captured by a single web camera. We refer 12 classes of human gestures with facial expression including neutral, negative and positive meanings from American Sign Languages (ASL). We combine the features in two levels by employing two fusion strategies. At the feature level, an early feature combination can be performed by concatenating and weighting different feature groups, and LDA is used to choose the most discriminative elements by projecting the feature on a discriminative expression space. The second strategy is applied on decision level. Weighted decisions from single modalities are fused in a later stage. A condensation-based algorithm is adopted for classification. We collected a data set with three to seven recording sessions and conducted experiments with the combination techniques. Experimental results showed that facial analysis improve hand gesture recognition, decision level fusion performs better than feature level fusion.

  15. Evaluating interactive computer-based scenarios designed for learning medical technology.

    PubMed

    Persson, Johanna; Dalholm, Elisabeth Hornyánszky; Wallergård, Mattias; Johansson, Gerd

    2014-11-01

    The use of medical equipment is growing in healthcare, resulting in an increased need for resources to educate users in how to manage the various devices. Learning the practical operation of a device is one thing, but learning how to work with the device in the actual clinical context is more challenging. This paper presents a computer-based simulation prototype for learning medical technology in the context of critical care. Properties from simulation and computer games have been adopted to create a visualization-based, interactive and contextually bound tool for learning. A participatory design process, including three researchers and three practitioners from a clinic for infectious diseases, was adopted to adjust the form and content of the prototype to the needs of the clinical practice and to create a situated learning experience. An evaluation with 18 practitioners showed that practitioners were positive to this type of tool for learning and that it served as a good platform for eliciting and sharing knowledge. Our conclusion is that this type of tools can be a complement to traditional learning resources to situate the learning in a context without requiring advanced technology or being resource-demanding. PMID:24898339

  16. Prediction of Drug Indications Based on Chemical Interactions and Chemical Similarities

    PubMed Central

    Huang, Guohua; Lu, Yin; Lu, Changhong; Cai, Yu-Dong

    2015-01-01

    Discovering potential indications of novel or approved drugs is a key step in drug development. Previous computational approaches could be categorized into disease-centric and drug-centric based on the starting point of the issues or small-scaled application and large-scale application according to the diversity of the datasets. Here, a classifier has been constructed to predict the indications of a drug based on the assumption that interactive/associated drugs or drugs with similar structures are more likely to target the same diseases using a large drug indication dataset. To examine the classifier, it was conducted on a dataset with 1,573 drugs retrieved from Comprehensive Medicinal Chemistry database for five times, evaluated by 5-fold cross-validation, yielding five 1st order prediction accuracies that were all approximately 51.48%. Meanwhile, the model yielded an accuracy rate of 50.00% for the 1st order prediction by independent test on a dataset with 32 other drugs in which drug repositioning has been confirmed. Interestingly, some clinically repurposed drug indications that were not included in the datasets are successfully identified by our method. These results suggest that our method may become a useful tool to associate novel molecules with new indications or alternative indications with existing drugs. PMID:25821813

  17. Evolution-based Virtual Content Insertion with Visually Virtual Interactions in Videos

    NASA Astrophysics Data System (ADS)

    Chang, Chia-Hu; Wu, Ja-Ling

    With the development of content-based multimedia analysis, virtual content insertion has been widely used and studied for video enrichment and multimedia advertising. However, how to automatically insert a user-selected virtual content into personal videos in a less-intrusive manner, with an attractive representation, is a challenging problem. In this chapter, we present an evolution-based virtual content insertion system which can insert virtual contents into videos with evolved animations according to predefined behaviors emulating the characteristics of evolutionary biology. The videos are considered not only as carriers of message conveyed by the virtual content but also as the environment in which the lifelike virtual contents live. Thus, the inserted virtual content will be affected by the videos to trigger a series of artificial evolutions and evolve its appearances and behaviors while interacting with video contents. By inserting virtual contents into videos through the system, users can easily create entertaining storylines and turn their personal videos into visually appealing ones. In addition, it would bring a new opportunity to increase the advertising revenue for video assets of the media industry and online video-sharing websites.

  18. Evaluating interactive computer-based scenarios designed for learning medical technology.

    PubMed

    Persson, Johanna; Dalholm, Elisabeth Hornyánszky; Wallergård, Mattias; Johansson, Gerd

    2014-11-01

    The use of medical equipment is growing in healthcare, resulting in an increased need for resources to educate users in how to manage the various devices. Learning the practical operation of a device is one thing, but learning how to work with the device in the actual clinical context is more challenging. This paper presents a computer-based simulation prototype for learning medical technology in the context of critical care. Properties from simulation and computer games have been adopted to create a visualization-based, interactive and contextually bound tool for learning. A participatory design process, including three researchers and three practitioners from a clinic for infectious diseases, was adopted to adjust the form and content of the prototype to the needs of the clinical practice and to create a situated learning experience. An evaluation with 18 practitioners showed that practitioners were positive to this type of tool for learning and that it served as a good platform for eliciting and sharing knowledge. Our conclusion is that this type of tools can be a complement to traditional learning resources to situate the learning in a context without requiring advanced technology or being resource-demanding.

  19. Paper-PEG-based membranes for hydrophobic interaction chromatography: purification of monoclonal antibody.

    PubMed

    Yu, Deqiang; Chen, Xiaonong; Pelton, Robert; Ghosh, Raja

    2008-04-15

    This article discusses the preparation of novel Paper-PEG interpenetrating polymer network-based membranes as inexpensive alternative to currently available adsorptive membranes. The Paper-PEG membranes were developed for carrying out hydrophobic interaction membrane chromatography (HIMC). PEG is normally very hydrophilic but can undergo phase separation and become hydrophobic in the presence of high antichaotropic salt concentrations. Two variants of the Paper-PEG membranes, Paper-PEG 1 and Paper-PEG 2 were prepared by grafting different amounts of the polymer on filter paper and these were tested for their hydraulic properties and antibody binding capacity. The better of the two membranes (Paper-PEG 1) was then used for purifying the monoclonal antibody hIgG1-CD4 from simulated mammalian cell culture supernatant. The processing conditions required for purification were systematically optimized. The dynamic antibody binding capacity of the Paper-PEG 1 membrane was about 9 mg/mL of bed volume. A single step membrane chromatographic process using Paper-PEG 1 membrane gave high monoclonal antibody purity and recovery. The hydraulic permeability of the paper-based membrane was high and was maintained even after many runs, indicating that membrane fouling was negligible and the membrane was largely incompressible.

  20. Interactive Web-Based Learning: Translating Health Policy Into Improved Diabetes Care.

    PubMed

    Rider, Briana B; Lier, Silje C; Johnson, Tisha K; Hu, Dale J

    2016-01-01

    In August 2014, the U.S. DHHS's Office of Disease Prevention and Health Promotion released the National Action Plan for Adverse Drug Event Prevention, highlighting prevention of diabetes agent-related hypoglycemia as a key area for improvement. In support of the Action Plan, the Office of Disease Prevention and Health Promotion then developed a web-based interactive module, or eLearning lesson, based on formative research and stakeholder feedback to educate healthcare professionals on strategies to prevent adverse drug events from diabetes agents. The training incorporates health literacy principles by demonstrating, through video scenarios, how to apply shared decision making when setting individualized glycemic targets, and how to use the teach-back method to confirm patients' understanding. Prior to release in September 2014, the training went through intensive usability testing and was pilot tested using a 36-item evaluation. Six months after its release (September 2014 to March 2015), the training landing page on health.gov had 24,334 unique page views. More than 90% of the 234 participants who earned continuing education credit agreed that they will be able to apply the knowledge gained from the lesson to their practice. Online trainings that model key prevention strategies are well received by health professional users and may play an important role in translating policy into improved outcomes. PMID:26602941

  1. Applying evidence-based medicine in telehealth: an interactive pattern recognition approximation.

    PubMed

    Fernández-Llatas, Carlos; Meneu, Teresa; Traver, Vicente; Benedi, José-Miguel

    2013-11-01

    Born in the early nineteen nineties, evidence-based medicine (EBM) is a paradigm intended to promote the integration of biomedical evidence into the physicians daily practice. This paradigm requires the continuous study of diseases to provide the best scientific knowledge for supporting physicians in their diagnosis and treatments in a close way. Within this paradigm, usually, health experts create and publish clinical guidelines, which provide holistic guidance for the care for a certain disease. The creation of these clinical guidelines requires hard iterative processes in which each iteration supposes scientific progress in the knowledge of the disease. To perform this guidance through telehealth, the use of formal clinical guidelines will allow the building of care processes that can be interpreted and executed directly by computers. In addition, the formalization of clinical guidelines allows for the possibility to build automatic methods, using pattern recognition techniques, to estimate the proper models, as well as the mathematical models for optimizing the iterative cycle for the continuous improvement of the guidelines. However, to ensure the efficiency of the system, it is necessary to build a probabilistic model of the problem. In this paper, an interactive pattern recognition approach to support professionals in evidence-based medicine is formalized. PMID:24185841

  2. Applying Evidence-Based Medicine in Telehealth: An Interactive Pattern Recognition Approximation

    PubMed Central

    Fernández-Llatas, Carlos; Meneu, Teresa; Traver, Vicente; Benedi, José-Miguel

    2013-01-01

    Born in the early nineteen nineties, evidence-based medicine (EBM) is a paradigm intended to promote the integration of biomedical evidence into the physicians daily practice. This paradigm requires the continuous study of diseases to provide the best scientific knowledge for supporting physicians in their diagnosis and treatments in a close way. Within this paradigm, usually, health experts create and publish clinical guidelines, which provide holistic guidance for the care for a certain disease. The creation of these clinical guidelines requires hard iterative processes in which each iteration supposes scientific progress in the knowledge of the disease. To perform this guidance through telehealth, the use of formal clinical guidelines will allow the building of care processes that can be interpreted and executed directly by computers. In addition, the formalization of clinical guidelines allows for the possibility to build automatic methods, using pattern recognition techniques, to estimate the proper models, as well as the mathematical models for optimizing the iterative cycle for the continuous improvement of the guidelines. However, to ensure the efficiency of the system, it is necessary to build a probabilistic model of the problem. In this paper, an interactive pattern recognition approach to support professionals in evidence-based medicine is formalized. PMID:24185841

  3. Vibration/Libration Interaction Dynamics During the Orbiter Based Deployment of Flexible Members

    NASA Technical Reports Server (NTRS)

    Modi, V. J.; Ibrahim, A. M.

    1985-01-01

    Essential features of a general formulation for studying librational dynamics of a large class of spacecraft during deployment of flexible members are reviewed. The formulation is applicable to a variety of missions ranging from deployment of antennas, booms and solar panels to manufacturing of trusses for space platforms using the space shuttle. The governing nonlinear, non-autonomous and coupled equations of motion are extremely difficult to solve even with the help of a computer, not to mention the cost involved. To get some appreciation as to the complex interactions between flexibility, deployment and attitude dynamics as well as to help pursue stability and control analysis, the equations are linearized about their nominal deflected equilibrium configuration. The procedure is applied to the Space Shuttle based deployment of boom and plate-like members. Results suggest substantial influence of the inertia parameter, flexural rigidity of the appendages, orbit eccentricity, deployment velocity, initial conditions, etc. on the system response. The results should prove useful in planning of the Orbiter based experiments aimed at assessing effectiveness of procedures for studying dynamics and control of flexible orbiting members.

  4. Using prize-based incentives to enhance daily interactive voice response (IVR) compliance: A feasibility study

    PubMed Central

    Lindsay, Jan A.; Minard, Charles G.; Hudson, Sonora; Green, Charles E.; Schmitz, Joy M.

    2013-01-01

    This study examined the feasibility of a prize-based contingency-management (CM) approach to encourage interactive voice response (IVR) compliance in a cocaine-treatment study and explored the association between IVR call rate and outcome during a cocaine abstinence-induction trial. Subjects called into the IVR system daily to complete a brief interview assessing cocaine use for past 24 hours. One group earned $1 for each call; the other earned one draw per call from a “prize bowl” with a range of awards. Abstinence was rewarded according to a high-value voucher incentive schedule, which was the same for both groups, and confirmed by thrice-weekly urine testing at clinic visits. Odds of calling were 4.7 times greater (95% CI: 1.23, 17.91) in the prize-CM group than in the fixed dollar CM group. In addition, the percent of IVR calls was significantly associated with abstinence achievement, χ2 (1) = 5.147, p<0.023. The use of prize-based CM to increase the use of IVR is feasible and deserves examination as an innovation for helping participants engage in treatment. PMID:24029622

  5. Toxicity tests based on predator-prey and competitive interactions between freshwater macroinvertebrates

    SciTech Connect

    Taylor, E.J.; Blockwell, S.J.; Pascoe, D.

    1994-12-31

    Simple multi-species toxicity tests based on the predation of Daphnia magna Straus by Hydra oligactis (Pallas) and competition between Gammarus pulex (L.) and Asellus aquaticus (L.) were used to determine the effects of three reference chemicals. Criteria examined included functional responses; time to first captures; handling times (predator/prey systems) and co-existence and growth. The tests which proved most practicable and sensitive (lowest observed effects 0.1, 21, and 80 {micro}g/l for lindane, copper and 3,4 dichloroaniline, respectively) were: (1) predator-prey tests: determining changes in the size-structure of predated D. magna populations and (2) competition tests: measuring the feeding rate of G. pulex competing with A. aquaticus, using a bioassay based on the time-response analysis of the consumption of Artemia salina eggs. The concentration of a chemical which affected particular response criteria was fond to depend on the test system employed. Results of the tests indicated that effects were often not dose-related and that a given criterion could be variously affected by different test concentrations. The complex pattern of responses may be explained in terms of the differential sensitivity of the interacting species and perhaps subtle alteration in strategies. The sensitivity of the bioassay endpoints is compared to those of a range of single species tests, and their value for predicting the impact pollutants may have upon natural freshwater ecosystems is discussed.

  6. Intermolecular interactions of trifluorohalomethanes with Lewis bases in the gas phase: An ab initio study

    SciTech Connect

    Wang, Yi-Siang; Yin, Chih-Chien; Chao, Sheng D.

    2014-10-07

    We perform an ab initio computational study of molecular complexes with the general formula CF{sub 3}X—B that involve one trifluorohalomethane CF{sub 3}X (X = Cl or Br) and one of a series of Lewis bases B in the gas phase. The Lewis bases are so chosen that they provide a range of electron-donating abilities for comparison. Based on the characteristics of their electron pairs, we consider the Lewis bases with a single n-pair (NH{sub 3} and PH{sub 3}), two n-pairs (H{sub 2}O and H{sub 2}S), two n-pairs with an unsaturated bond (H{sub 2}CO and H{sub 2}CS), and a single π-pair (C{sub 2}H{sub 4}) and two π-pairs (C{sub 2}H{sub 2}). The aim is to systematically investigate the influence of the electron pair characteristics and the central atom substitution effects on the geometries and energetics of the formed complexes. The counterpoise-corrected supermolecule MP2 and coupled-cluster single double with perturbative triple [CCSD(T)] levels of theory have been employed, together with a series of basis sets up to aug-cc-pVTZ. The angular and radial configurations, the binding energies, and the electrostatic potentials of the stable complexes have been compared and discussed as the Lewis base varies. For those complexes where halogen bonding plays a significant role, the calculated geometries and energetics are consistent with the σ-hole model. Upon formation of stable complexes, the C–X bond lengths shorten, while the C–X vibrational frequencies increase, thus rendering blueshifting halogen bonds. The central atom substitution usually enlarges the intermolecular bond distances while it reduces the net charge transfers, thus weakening the bond strengths. The analysis based on the σ-hole model is grossly reliable but requires suitable modifications incorporating the central atom substitution effects, in particular, when interaction components other than electrostatic contributions are involved.

  7. Argo: an integrative, interactive, text mining-based workbench supporting curation.

    PubMed

    Rak, Rafal; Rowley, Andrew; Black, William; Ananiadou, Sophia

    2012-01-01

    Curation of biomedical literature is often supported by the automatic analysis of textual content that generally involves a sequence of individual processing components. Text mining (TM) has been used to enhance the process of manual biocuration, but has been focused on specific databases and tasks rather than an environment integrating TM tools into the curation pipeline, catering for a variety of tasks, types of information and applications. Processing components usually come from different sources and often lack interoperability. The well established Unstructured Information Management Architecture is a framework that addresses interoperability by defining common data structures and interfaces. However, most of the efforts are targeted towards software developers and are not suitable for curators, or are otherwise inconvenient to use on a higher level of abstraction. To overcome these issues we introduce Argo, an interoperable, integrative, interactive and collaborative system for text analysis with a convenient graphic user interface to ease the development of processing workflows and boost productivity in labour-intensive manual curation. Robust, scalable text analytics follow a modular approach, adopting component modules for distinct levels of text analysis. The user interface is available entirely through a web browser that saves the user from going through often complicated and platform-dependent installation procedures. Argo comes with a predefined set of processing components commonly used in text analysis, while giving the users the ability to deposit their own components. The system accommodates various areas and levels of user expertise, from TM and computational linguistics to ontology-based curation. One of the key functionalities of Argo is its ability to seamlessly incorporate user-interactive components, such as manual annotation editors, into otherwise completely automatic pipelines. As a use case, we demonstrate the functionality of an in

  8. A novel supramolecular polymer gel constructed by crosslinking pillar[5]arene-based supramolecular polymers through metal-ligand interactions.

    PubMed

    Wang, Pi; Xing, Hao; Xia, Danyu; Ji, Xiaofan

    2015-12-21

    A novel heteroditopic A-B monomer was synthesized and used to construct linear supramolecular polymers utilizing pillar[5]arene-based host-guest interactions. Specifically, upon addition of Cu(2+) ions, the supramolecular polymer chains are crosslinked through metal-ligand interactions, resulting in the formation of a supramolecular polymer gel. Interestingly, this self-organized supramolecular polymer can be used as a novel fluorescent sensor for detecting Cu(2+) ions. PMID:26466511

  9. Quantitative Prediction of Drug–Drug Interactions Involving Inhibitory Metabolites in Drug Development: How Can Physiologically Based Pharmacokinetic Modeling Help?

    PubMed Central

    Chen, Y; Mao, J; Lin, J; Yu, H; Peters, S; Shebley, M

    2016-01-01

    This subteam under the Drug Metabolism Leadership Group (Innovation and Quality Consortium) investigated the quantitative role of circulating inhibitory metabolites in drug–drug interactions using physiologically based pharmacokinetic (PBPK) modeling. Three drugs with major circulating inhibitory metabolites (amiodarone, gemfibrozil, and sertraline) were systematically evaluated in addition to the literature review of recent examples. The application of PBPK modeling in drug interactions by inhibitory parent–metabolite pairs is described and guidance on strategic application is provided. PMID:27642087

  10. A powerful latent variable method for detecting and characterizing gene-based gene-gene interaction on multiple quantitative traits

    PubMed Central

    2013-01-01

    Background On thinking quantitatively of complex diseases, there are at least three statistical strategies for analyzing the gene-gene interaction: SNP by SNP interaction on single trait, gene-gene (each can involve multiple SNPs) interaction on single trait and gene-gene interaction on multiple traits. The third one is the most general in dissecting the genetic mechanism underlying complex diseases underpinning multiple quantitative traits. In this paper, we developed a novel statistic for this strategy through modifying the Partial Least Squares Path Modeling (PLSPM), called mPLSPM statistic. Results Simulation studies indicated that mPLSPM statistic was powerful and outperformed the principal component analysis (PCA) based linear regression method. Application to real data in the EPIC-Norfolk GWAS sub-cohort showed suggestive interaction (γ) between TMEM18 gene and BDNF gene on two composite body shape scores (γ = 0.047 and γ = 0.058, with P = 0.021, P = 0.005), and BMI (γ = 0.043, P = 0.034). This suggested these scores (synthetically latent traits) were more suitable to capture the obesity related genetic interaction effect between genes compared to single trait. Conclusions The proposed novel mPLSPM statistic is a valid and powerful gene-based method for detecting gene-gene interaction on multiple quantitative phenotypes. PMID:24059907

  11. Computation of stress distribution in a mixed flow pump based on fluid-structure interaction analysis

    NASA Astrophysics Data System (ADS)

    Hu, F. F.; Chen, T.; Wu, D. Z.; Wang, L. Q.

    2013-12-01

    The internal flow evolution of the pump was induced with impeller movement. In various conditions, the peak load on centrifugal blade under the change of rotational speed or flow rate was also changed. It would cause an error when inertia load with a safety coefficient (that was difficult to ascertain) was applied in structure design. In order to accurately analyze the impeller stress under various conditions and improve the reliability of pump, based on a mixed flow pump model, the stress distribution characteristic was analyzed under different flow rates and rotational speeds. Based on a three-dimensional calculation model including impeller, guide blade, inlet and outlet, the three-dimension incompressible turbulence flow in the centrifugal pump was simulated by using the standard k-epsilon turbulence model. Based on the sequentially coupled simulation approach, a three-dimensional finite element model of impeller was established, and the fluid-structure interaction method of the blade load transfer was discussed. The blades pressure from flow simulation, together with inertia force acting on the blade, was used as the blade loading on solid surface. The Finite Element Method (FEM) was used to calculate the stress distribution of the blade respectively under inertia load, or fluid load, or combined load. The results showed that the blade stress changed with flow rate and rotational speed. In all cases, the maximum stress on the blade appeared on the pressure side near the hub, and the maximum static stress increased with the decreasing of the flow rate and the increasing of rotational speed. There was a big difference on the static stress when inertia load, fluid load and combined loads was applied respectively. In order to more accurately calculate the stress distribution, the structure analysis should be conducted due to combined loads. The results could provide basis for the stress analysis and structure optimization of pump.

  12. Factors affecting home care patients' acceptance of a web-based interactive self-management technology

    PubMed Central

    Karsh, Ben-Tzion; Severtson, Dolores J; Burke, Laura J; Brown, Roger L; Brennan, Patricia Flatley

    2010-01-01

    Objective With the advent of personal health records and other patient-focused health technologies, there is a growing need to better understand factors that contribute to acceptance and use of such innovations. In this study, we employed the Unified Theory of Acceptance and Use of Technology as the basis for determining what predicts patients' acceptance (measured by behavioral intention) and perceived effective use of a web-based, interactive self-management innovation among home care patients. Design Cross-sectional secondary analysis of data from a randomized field study evaluating a technology-assisted home care nursing practice with adults with chronic cardiac disease. Measurement and analysis A questionnaire was designed based on validated measurement scales from prior research and was completed by 101 participants for measuring the acceptance constructs as part of the parent study protocol. Latent variable modeling with item parceling guided assessment of patients' acceptance. Results Perceived usefulness accounted for 53.9% of the variability in behavioral intention, the measure of acceptance. Together, perceived usefulness, health care knowledge, and behavioral intention accounted for 68.5% of the variance in perceived effective use. Perceived ease of use and subjective norm indirectly influenced behavioral intention, through perceived usefulness. Perceived ease of use and subjective norm explained 48% of the total variance in perceived usefulness. Conclusion The study demonstrates that perceived usefulness, perceived ease of use, subjective norm, and healthcare knowledge together predict most of the variance in patients' acceptance and self-reported use of the web-based self-management technology. PMID:21131605

  13. An internet-based interactive telemonitoring system for improving childhood asthma outcomes in Taiwan.

    PubMed

    Jan, Ren-Long; Wang, Jiu-Yao; Huang, Mei-Chih; Tseng, Shin-Mu; Su, Huey-Jen; Liu, Li-Fan

    2007-06-01

    A randomized, controlled trial was conducted to assess the effectiveness of Blue Angel for Asthma Kids, an Internet-based interactive asthma educational and monitoring program, used in the management of asthmatic children. One hundred sixty-four (n = 164) pediatric patients with persistent asthma were enrolled and randomized into two study groups for a 12-week controlled trial. The intervention group had 88 participants who were taught to monitor their peak expiratory flows (PEF) and asthma symptoms daily on the Internet. They also received an interactive response consisting of a self-management plan from the Blue Angel monitoring program. The control group had 76 participants who received a traditional asthma care plan consisting of a written asthma diary supplemented with instructions for self-management. Disease control was assessed by weekly averaged PEF values, symptom scores, and asthma control tests. Adherence measures were assessed by therapeutic and diagnostic monitoring. Outcome was assessed by examining quality of life and retention of asthma knowledge. The data were analyzed by comparing results before and after the trial. At the end of trial, the intervention group decreased nighttime (-0.08 +/- 0.33 vs. 0.00 +/- 0.20, p = 0.028) and daytime symptoms (-0.08 +/- 0.33 vs. 0.01 +/- 0.18, p =0.009); improved morning (241.9 +/- 81.4 vs. 223.1 +/- 55.5, p =0.017) and night PEF (255.6 +/- 86.7 vs. 232.5 +/- 55.3, p =0.010); increased adherence rates (p < 0.05); improved well-controlled rates (70.4% vs. 55.3%, p < 0.05); improved knowledge regarding self-management (93.2% vs. 70.3%, p < 0.05); and improved quality of life (6.5 +/- 0.5 vs. 4.3 +/- 1.2 on a 7-point scale, p < 0.05) when compared with conventional management. The Internet-based asthma telemonitoring program increases selfmanagement skills, improves asthma outcomes, and appears to be an effective and well-accepted technology for the care of children with asthma and their caregivers.

  14. Impact of cation-π interactions on the cell voltage of carbon nanotube-based Li batteries

    NASA Astrophysics Data System (ADS)

    Gao, Shaohua; Shi, Guosheng; Fang, Haiping

    2016-01-01

    Carbon nanotube (CNT)-based Li batteries have attracted wide attention because of their high capacity, high cyclability and high energy density and are believed to be one of the most promising electrochemical energy storage systems. In CNT-based Li batteries, the main interaction between the Li+ ions and the CNT is the cation-π interaction. However, up to now, it is still not clear how this interaction affects the storage characteristics of CNT-based Li batteries. Here, using density functional theory (DFT) calculations, we report a highly favorable impact of cation-π interactions on the cell voltage of CNT-based Li batteries. Considering both Li+-π interaction and Li-π interaction, we show that cell voltage enhances with the increase of the CNT diameter. In addition, when the Li+ ion adsorbs on the external wall, the cell voltage is larger than that when it adsorbs on the internal wall. This suggests that CNTs with a large diameter and a low array density are more advantageous to enhance storage performance of CNT-based Li batteries. Compared with Li+ ions on the (4,4) CNT internal wall, the cell voltage of Li+ on the (10,10) CNT external wall is 0.55 V higher, which indicates an improvement of about 38%. These results will be helpful for the design of more efficient CNT-based Li batteries.Carbon nanotube (CNT)-based Li batteries have attracted wide attention because of their high capacity, high cyclability and high energy density and are believed to be one of the most promising electrochemical energy storage systems. In CNT-based Li batteries, the main interaction between the Li+ ions and the CNT is the cation-π interaction. However, up to now, it is still not clear how this interaction affects the storage characteristics of CNT-based Li batteries. Here, using density functional theory (DFT) calculations, we report a highly favorable impact of cation-π interactions on the cell voltage of CNT-based Li batteries. Considering both Li+-π interaction and Li

  15. Prediction of the anti-inflammatory mechanisms of curcumin by module-based protein interaction network analysis.

    PubMed

    Gan, Yanxiong; Zheng, Shichao; Baak, Jan P A; Zhao, Silei; Zheng, Yongfeng; Luo, Nini; Liao, Wan; Fu, Chaomei

    2015-11-01

    Curcumin, the medically active component from Curcuma longa (Turmeric), is widely used to treat inflammatory diseases. Protein interaction network (PIN) analysis was used to predict its mechanisms of molecular action. Targets of curcumin were obtained based on ChEMBL and STITCH databases. Protein-protein interactions (PPIs) were extracted from the String database. The PIN of curcumin was constructed by Cytoscape and the function modules identified by gene ontology (GO) enrichment analysis based on molecular complex detection (MCODE). A PIN of curcumin with 482 nodes and 1688 interactions was constructed, which has scale-free, small world and modular properties. Based on analysis of these function modules, the mechanism of curcumin is proposed. Two modules were found to be intimately associated with inflammation. With function modules analysis, the anti-inflammatory effects of curcumin were related to SMAD, ERG and mediation by the TLR family. TLR9 may be a potential target of curcumin to treat inflammation. PMID:26713275

  16. Prediction of the anti-inflammatory mechanisms of curcumin by module-based protein interaction network analysis

    PubMed Central

    Gan, Yanxiong; Zheng, Shichao; Baak, Jan P.A.; Zhao, Silei; Zheng, Yongfeng; Luo, Nini; Liao, Wan; Fu, Chaomei

    2015-01-01

    Curcumin, the medically active component from Curcuma longa (Turmeric), is widely used to treat inflammatory diseases. Protein interaction network (PIN) analysis was used to predict its mechanisms of molecular action. Targets of curcumin were obtained based on ChEMBL and STITCH databases. Protein–protein interactions (PPIs) were extracted from the String database. The PIN of curcumin was constructed by Cytoscape and the function modules identified by gene ontology (GO) enrichment analysis based on molecular complex detection (MCODE). A PIN of curcumin with 482 nodes and 1688 interactions was constructed, which has scale-free, small world and modular properties. Based on analysis of these function modules, the mechanism of curcumin is proposed. Two modules were found to be intimately associated with inflammation. With function modules analysis, the anti-inflammatory effects of curcumin were related to SMAD, ERG and mediation by the TLR family. TLR9 may be a potential target of curcumin to treat inflammation. PMID:26713275

  17. Engineered metal based nanomaterials in aqueous environments: Interactions, transformations and implications

    NASA Astrophysics Data System (ADS)

    Mudunkotuwa, Imali Ama

    Nanoscience and nanotechnology offer potential routes towards addressing critical issues such as clean and sustainable energy, environmental protection and human health. Specifically, metal and metal oxide nanomaterials are found in a wide range of applications and therefore hold a greater potential of possible release into the environment or for the human to be exposed. Understanding the aqueous phase behavior of metal and metal oxide nanomaterials is a key factor in the safe design of these materials because their interactions with living systems are always mediated through the aqueous phase. Broadly the transformations in the aqueous phase can be classified as dissolution, aggregation and adsorption which are dependent and linked processes to one another. The complexity of these processes at the liquid-solid interface has therefore been one of the grand challenges that has persisted since the beginning of nanotechnology. Although classical models provide guidance for understanding dissolution and aggregation of nanoparticles in water, there are many uncertainties associated with the recent findings. This is often due to a lack of fundamental knowledge of the surface structure and surface energetics for very small particles. Therefore currently the environmental health and safety studies related to nanomaterials are more focused on understanding the surface chemistry that governs the overall processes in the liquid-solid interfacial region at the molecular level. The metal based nanomaterials focused on in this dissertation include TiO2, ZnO, Cu and CuO. These are among the most heavily used in a number of applications ranging from uses in the construction industry to cosmetic formulation. Therefore they are produced in large scale and have been detected in the environment. There is debate within the scientific community related to their safety as a result of the lack of understanding on the surface interactions that arise from the detailed nature of the surfaces

  18. Soy-based Polymers for Surface Modification and Interactions with Lignocellulosic Materials

    NASA Astrophysics Data System (ADS)

    Salas Araujo, Carlos Luis

    Recent environmental concerns about the use of synthetic materials that are often used to maintain our quality of life has triggered a significant amount of research to develop new technologies and to adopt sustainable, bio-based materials. Cellulose, lignin and other plant-derived macromolecules including proteins from soybeans have witnessed recent, renewed interest by the industrial and scientific communities. For example, soybean proteins have been proposed for a variety of applications, including wood adhesives, bio-plastics, composites and functional materials that may include synthetic polymers. Despite its importance in such systems or materials, very little is known about the fundamental nature of the interactions between soy proteins and other polymers. Therefore, this work addresses this issue by a systematic investigation of the interactions between soy proteins with the two most abundant macromolecules in the biosphere, namely, cellulose and lignin and with the most widely used synthetic polymer, polypropylene (PP). The adsorption of the main soy protein globulins, glycinin (11S) and beta-conglycinin (7S), was studied by using ultrathin films of cellulose, lignin and PP (as well as reference silica and organic self-assembled monolayers (SAMs) surfaces) that were used as substrates. The extent and dynamics of adsorption was monitored by using quartz crystal microgravimetry with dissipation (QCM-D), surface plasmon resonance (SPR) as well as complementary techniques including circular dichroism (CD) and atomic force microscopy (AFM). QCM-D experiments indicated that soy protein adsorption was strongly affected by changes in the physicochemical environment. An increased adsorption of glycinin on silica (by 13%) and cellulose (by 89%) was observed with the increased ionic strength of the aqueous solution, from 0 to 0.1 M NaCl. This highlights the relevance of electrostatic interactions in the adsorption process. In contrast, the adsorption of beta

  19. Social interaction and conceptual understanding in computer-based physics instruction

    NASA Astrophysics Data System (ADS)

    Hoffman, Beth A.

    1997-08-01

    This investigation of conceptual understanding in computer-based physics instruction found that preconceptions are powerful predictors of performance; pair composition is related to paired, but not individualized performance; and efficient partner resolution strategies lead to improved performance. Seventy-six high school physics students were pretested individually and paired on the basis of similarity or difference in their initial level of conceptions. Pairs performed a series of computer-based exercises, after which students were individually posttested. Students' self-reports and researcher observations measured the nature and frequency of social interaction in which their pair engaged. Students who began with a more sophisticated understanding of force and motion performed significantly better than those with low Pretest scores. Those with initially lower scores improved more after instruction, but their Posttest scores rarely surpassed the scores of those who started out higher. Lower scoring students were dominated by higher scoring partners during paired learning. Pairs' performance measures therefore reflected the conceptions of the higher level student. Conversely, individual performance measures following paired instruction were unrelated to a partner's ability level. Pairing students by ability level did not affect performance except in the context of the pair. Results imply that educators need not pair students by ability level when their goal is to improve the individual's performance. Students with the most efficient resolution strategies performed significantly better than those whose resolution strategies were less sophisticated. Conflicts were constructive or destructive depending on how they were resolved. The ability to effectively negotiate solutions was associated with higher achievement, implying that educators consider training students to hone their resolution skills prior to collaborative instruction. Computer-based instruction is a

  20. Prediction of hot regions in protein-protein interaction by combining density-based incremental clustering with feature-based classification.

    PubMed

    Hu, Jing; Zhang, Xiaolong; Liu, Xiaoming; Tang, Jinshan

    2015-06-01

    Discovering hot regions in protein-protein interaction is important for drug and protein design, while experimental identification of hot regions is a time-consuming and labor-intensive effort; thus, the development of predictive models can be very helpful. In hot region prediction research, some models are based on structure information, and others are based on a protein interaction network. However, the prediction accuracy of these methods can still be improved. In this paper, a new method is proposed for hot region prediction, which combines density-based incremental clustering with feature-based classification. The method uses density-based incremental clustering to obtain rough hot regions, and uses feature-based classification to remove the non-hot spot residues from the rough hot regions. Experimental results show that the proposed method significantly improves the prediction performance of hot regions.