Affective Interaction with a Virtual Character Through an fNIRS Brain-Computer Interface.

PubMed

Aranyi, Gabor; Pecune, Florian; Charles, Fred; Pelachaud, Catherine; Cavazza, Marc

2016-01-01

Affective brain-computer interfaces (BCI) harness Neuroscience knowledge to develop affective interaction from first principles. In this article, we explore affective engagement with a virtual agent through Neurofeedback (NF). We report an experiment where subjects engage with a virtual agent by expressing positive attitudes towards her under a NF paradigm. We use for affective input the asymmetric activity in the dorsolateral prefrontal cortex (DL-PFC), which has been previously found to be related to the high-level affective-motivational dimension of approach/avoidance. The magnitude of left-asymmetric DL-PFC activity, measured using functional near infrared spectroscopy (fNIRS) and treated as a proxy for approach, is mapped onto a control mechanism for the virtual agent's facial expressions, in which action units (AUs) are activated through a neural network. We carried out an experiment with 18 subjects, which demonstrated that subjects are able to successfully engage with the virtual agent by controlling their mental disposition through NF, and that they perceived the agent's responses as realistic and consistent with their projected mental disposition. This interaction paradigm is particularly relevant in the case of affective BCI as it facilitates the volitional activation of specific areas normally not under conscious control. Overall, our contribution reconciles a model of affect derived from brain metabolic data with an ecologically valid, yet computationally controllable, virtual affective communication environment.

How should a virtual agent present psychoeducation? Influence of verbal and textual presentation on adherence

PubMed Central

Tielman, Myrthe L.; Neerincx, Mark A.; van Meggelen, Marieke; Franken, Ingmar; Brinkman, Willem-Paul

2017-01-01

BACKGROUND AND OBJECTIVE: With the rise of autonomous e-mental health applications, virtual agents can play a major role in improving trustworthiness, therapy outcome and adherence. In these applications, it is important that patients adhere in the sense that they perform the tasks, but also that they adhere to the specific recommendations on how to do them well. One important construct in improving adherence is psychoeducation, information on the why and how of therapeutic interventions. In an e-mental health context, this can be delivered in two different ways: verbally by a (virtual) embodied conversational agent or just via text on the screen. The aim of this research is to study which presentation mode is preferable for improving adherence. METHODS : This study takes the approach of evaluating a specific part of a therapy, namely psychoeducation. This was done in a non-clinical sample, to first test the general constructs of the human-computer interaction. We performed an experimental study on the effect of presentation mode of psychoeducation on adherence. In this study, we took into account the moderating effects of attitude towards the virtual agent and recollection of the information. Within the paradigm of expressive writing, we asked participants (n= 46) to pick one of their worst memories to describe in a digital diary after receiving verbal or textual psychoeducation. RESULTS AND CONCLUSION: We found that both the attitude towards the virtual agent and how well the psychoeducation was recollected were positively related to adherence in the form of task execution. Moreover, after controlling for the attitude to the agent and recollection, presentation of psychoeducation via text resulted in higher adherence than verbal presentation by the virtual agent did. PMID:28800346

The highly intelligent virtual agents for modeling financial markets

NASA Astrophysics Data System (ADS)

Yang, G.; Chen, Y.; Huang, J. P.

2016-02-01

Researchers have borrowed many theories from statistical physics, like ensemble, Ising model, etc., to study complex adaptive systems through agent-based modeling. However, one fundamental difference between entities (such as spins) in physics and micro-units in complex adaptive systems is that the latter are usually with high intelligence, such as investors in financial markets. Although highly intelligent virtual agents are essential for agent-based modeling to play a full role in the study of complex adaptive systems, how to create such agents is still an open question. Hence, we propose three principles for designing high artificial intelligence in financial markets and then build a specific class of agents called iAgents based on these three principles. Finally, we evaluate the intelligence of iAgents through virtual index trading in two different stock markets. For comparison, we also include three other types of agents in this contest, namely, random traders, agents from the wealth game (modified on the famous minority game), and agents from an upgraded wealth game. As a result, iAgents perform the best, which gives a well support for the three principles. This work offers a general framework for the further development of agent-based modeling for various kinds of complex adaptive systems.

The Effects of a Pedagogical Agent's Smiling Expression on the Learner's Emotions and Motivation in a Virtual Learning Environment

ERIC Educational Resources Information Center

Liew, Tze Wei; Zin, Nor Azan Mat; Sahari, Noraidah; Tan, Su-Mae

2016-01-01

The present study aimed to test the hypothesis that a smiling expression on the face of a talking pedagogical agent could positively affect a learner's emotions, motivation, and learning outcomes in a virtual learning environment. Contrary to the hypothesis, results from Experiment 1 demonstrated that the pedagogical agent's smile induced negative…

Conversational Agents in Virtual Worlds: Bridging Disciplines

ERIC Educational Resources Information Center

Veletsianos, George; Heller, Robert; Overmyer, Scott; Procter, Mike

2010-01-01

This paper examines the effective deployment of conversational agents in virtual worlds from the perspective of researchers/practitioners in cognitive psychology, computing science, learning technologies and engineering. From a cognitive perspective, the major challenge lies in the coordination and management of the various channels of information…

TSI-Enhanced Pedagogical Agents to Engage Learners in Virtual Worlds

ERIC Educational Resources Information Center

Leung, Steve; Virwaney, Sandeep; Lin, Fuhua; Armstrong, AJ; Dubbelboer, Adien

2013-01-01

Building pedagogical applications in virtual worlds is a multi-disciplinary endeavor that involves learning theories, application development framework, and mediated communication theories. This paper presents a project that integrates game-based learning, multi-agent system architecture (MAS), and the theory of Transformed Social Interaction…

Comprehension and engagement in survey interviews with virtual agents

PubMed Central

Conrad, Frederick G.; Schober, Michael F.; Jans, Matt; Orlowski, Rachel A.; Nielsen, Daniel; Levenstein, Rachel

2015-01-01

This study investigates how an onscreen virtual agent's dialog capability and facial animation affect survey respondents' comprehension and engagement in “face-to-face” interviews, using questions from US government surveys whose results have far-reaching impact on national policies. In the study, 73 laboratory participants were randomly assigned to respond in one of four interviewing conditions, in which the virtual agent had either high or low dialog capability (implemented through Wizard of Oz) and high or low facial animation, based on motion capture from a human interviewer. Respondents, whose faces were visible to the Wizard (and videorecorded) during the interviews, answered 12 questions about housing, employment, and purchases on the basis of fictional scenarios designed to allow measurement of comprehension accuracy, defined as the fit between responses and US government definitions. Respondents answered more accurately with the high-dialog-capability agents, requesting clarification more often particularly for ambiguous scenarios; and they generally treated the high-dialog-capability interviewers more socially, looking at the interviewer more and judging high-dialog-capability agents as more personal and less distant. Greater interviewer facial animation did not affect response accuracy, but it led to more displays of engagement—acknowledgments (verbal and visual) and smiles—and to the virtual interviewer's being rated as less natural. The pattern of results suggests that a virtual agent's dialog capability and facial animation differently affect survey respondents' experience of interviews, behavioral displays, and comprehension, and thus the accuracy of their responses. The pattern of results also suggests design considerations for building survey interviewing agents, which may differ depending on the kinds of survey questions (sensitive or not) that are asked. PMID:26539138

Simulating Microdosimetry of Environmental Chemicals for EPA’s Virtual Liver

EPA Science Inventory

US EPA Virtual Liver (v-Liver) is a cellular systems model of hepatic tissues aimed at predicting chemical-induced adverse effects through agent-based modeling. A primary objective of the project is to extrapolate in vitro data to in vivo outcomes. Agent-based approaches to tissu...

Visual Stereotypes and Virtual Pedagogical Agents

ERIC Educational Resources Information Center

Haake, Magnus; Gulz, Agneta

2008-01-01

The paper deals with the use of visual stereotypes in virtual pedagogical agents and its potential impact in digital learning environments. An analysis of the concept of visual stereotypes is followed by a discussion of affordances and drawbacks as to their use in the context of traditional media. Next, the paper explores whether virtual…

Behavior believability in virtual worlds: agents acting when they need to.

PubMed

Avradinis, Nikos; Panayiotopoulos, Themis; Anastassakis, George

2013-12-01

Believability has been a perennial goal for the intelligent virtual agent community. One important aspect of believability largely consists in demonstrating autonomous behavior, consistent with the agent's personality and motivational state, as well as the world conditions. Autonomy, on behalf of the agent, implies the existence of an internal structure and mechanism that allows the agent to have its own needs and interests, based on which the agent will dynamically select and generate goals that will in turn lead to self-determined behavior. Intrinsic motivation allows the agent to function and demonstrate behavior, even when no external stimulus is present, due to the constant change of its internal emotional and physiological state. The concept of motivation has already been investigated by research works on intelligent agents, trying to achieve autonomy. The current work presents an architecture and model to represent and manage internal driving factors in intelligent virtual agents, using the concept of motivations. Based on Maslow and Alderfer's bio-psychological needs theories, we present a motivational approach to represent human needs and produce emergent behavior through motivation synthesis. Particular attention is given to basic, physiological level needs, which are the basis of behavior and can produce tendency to action even when there is no other interaction with the environment.

A Systematic Framework of Virtual Laboratories Using Mobile Agent and Design Pattern Technologies

ERIC Educational Resources Information Center

Li, Yi-Hsung; Dow, Chyi-Ren; Lin, Cheng-Min; Chen, Sheng-Chang; Hsu, Fu-Wei

2009-01-01

Innovations in network and information technology have transformed traditional classroom lectures into new approaches that have given universities the opportunity to create a virtual laboratory. However, there is no systematic framework in existing approaches for the development of virtual laboratories. Further, developing a virtual laboratory…

Younger and Older Users’ Recognition of Virtual Agent Facial Expressions

PubMed Central

Beer, Jenay M.; Smarr, Cory-Ann; Fisk, Arthur D.; Rogers, Wendy A.

2015-01-01

As technology advances, robots and virtual agents will be introduced into the home and healthcare settings to assist individuals, both young and old, with everyday living tasks. Understanding how users recognize an agent’s social cues is therefore imperative, especially in social interactions. Facial expression, in particular, is one of the most common non-verbal cues used to display and communicate emotion in on-screen agents (Cassell, Sullivan, Prevost, & Churchill, 2000). Age is important to consider because age-related differences in emotion recognition of human facial expression have been supported (Ruffman et al., 2008), with older adults showing a deficit for recognition of negative facial expressions. Previous work has shown that younger adults can effectively recognize facial emotions displayed by agents (Bartneck & Reichenbach, 2005; Courgeon et al. 2009; 2011; Breazeal, 2003); however, little research has compared in-depth younger and older adults’ ability to label a virtual agent’s facial emotions, an import consideration because social agents will be required to interact with users of varying ages. If such age-related differences exist for recognition of virtual agent facial expressions, we aim to understand if those age-related differences are influenced by the intensity of the emotion, dynamic formation of emotion (i.e., a neutral expression developing into an expression of emotion through motion), or the type of virtual character differing by human-likeness. Study 1 investigated the relationship between age-related differences, the implication of dynamic formation of emotion, and the role of emotion intensity in emotion recognition of the facial expressions of a virtual agent (iCat). Study 2 examined age-related differences in recognition expressed by three types of virtual characters differing by human-likeness (non-humanoid iCat, synthetic human, and human). Study 2 also investigated the role of configural and featural processing as a possible explanation for age-related differences in emotion recognition. First, our findings show age-related differences in the recognition of emotions expressed by a virtual agent, with older adults showing lower recognition for the emotions of anger, disgust, fear, happiness, sadness, and neutral. These age-related difference might be explained by older adults having difficulty discriminating similarity in configural arrangement of facial features for certain emotions; for example, older adults often mislabeled the similar emotions of fear as surprise. Second, our results did not provide evidence for the dynamic formation improving emotion recognition; but, in general, the intensity of the emotion improved recognition. Lastly, we learned that emotion recognition, for older and younger adults, differed by character type, from best to worst: human, synthetic human, and then iCat. Our findings provide guidance for design, as well as the development of a framework of age-related differences in emotion recognition. PMID:25705105

Ant-Based Cyber Defense (also known as

DOE Office of Scientific and Technical Information (OSTI.GOV)

Glenn Fink, PNNL

2015-09-29

ABCD is a four-level hierarchy with human supervisors at the top, a top-level agent called a Sergeant controlling each enclave, Sentinel agents located at each monitored host, and mobile Sensor agents that swarm through the enclaves to detect cyber malice and misconfigurations. The code comprises four parts: (1) the core agent framework, (2) the user interface and visualization, (3) test-range software to create a network of virtual machines including a simulated Internet and user and host activity emulation scripts, and (4) a test harness to allow the safe running of adversarial code within the framework of monitored virtual machines.

Emotional recognition from the speech signal for a virtual education agent

NASA Astrophysics Data System (ADS)

Tickle, A.; Raghu, S.; Elshaw, M.

2013-06-01

This paper explores the extraction of features from the speech wave to perform intelligent emotion recognition. A feature extract tool (openSmile) was used to obtain a baseline set of 998 acoustic features from a set of emotional speech recordings from a microphone. The initial features were reduced to the most important ones so recognition of emotions using a supervised neural network could be performed. Given that the future use of virtual education agents lies with making the agents more interactive, developing agents with the capability to recognise and adapt to the emotional state of humans is an important step.

The Time Factor: Leveraging Intelligent Agents and Directed Narratives in Online Learning Environments

ERIC Educational Resources Information Center

Jones, Greg; Warren, Scott

2009-01-01

Using video games, virtual simulations, and other digital spaces for learning can be a time-consuming process; aside from technical issues that may absorb class time, students take longer to achieve gains in learning in virtual environments. Greg Jones and Scott Warren describe how intelligent agents, in-game characters that respond to the context…

Personalized Messages That Promote Science Learning in Virtual Environments

ERIC Educational Resources Information Center

Moreno, Roxana; Mayer, Richard E.

2004-01-01

College students learned how to design the roots, stem, and leaves of plants to survive in five different virtual reality environments through an agent-based multimedia educational game. For each student, the agent used personalized speech (e.g., including I and you) or nonpersonalized speech (e.g., 3rd-person monologue), and the game was…

Measuring Co-Presence and Social Presence in Virtual Environments - Psychometric Construction of a German Scale for a Fear of Public Speaking Scenario.

PubMed

Poeschl, Sandra; Doering, Nicola

2015-01-01

Virtual reality exposure therapy (VRET) applications use high levels of fidelity in order to produce high levels of presence and thereby elicit an emotional response for the user (like fear for phobia treatment). State of research shows mixed results for the correlation between anxiety and presence in virtual reality exposure, with differing results depending on specific anxiety disorders. A positive correlation for anxiety and presence for social anxiety disorder is not proven up to now. One reason might be that plausibility of the simulation, namely including key triggers for social anxiety (for example verbal and non-verbal behavior of virtual agents that reflects potentially negative human evaluation) might not be acknowledged in current presence questionnaires. A German scale for measuring co-presence and social presence for virtual reality (VR) fear of public speaking scenarios was developed based on a translation and adaption of existing co-presence and social presence questionnaires. A sample of N = 151 students rated co-presence and social presence after using a fear of public speaking application. Four correlated factors were derived by item- and principle axis factor analysis (Promax rotation), representing the presenter's reaction to virtual agents, the reactions of the virtual agents as perceived by the presenter, impression of interaction possibilities, and (co-)presence of other people in the virtual environment. The scale developed can be used as a starting point for future research and test construction for VR applications with a social context.

Maintaining Engagement in Long-term Interventions with Relational Agents

PubMed Central

Bickmore, Timothy; Schulman, Daniel; Yin, Langxuan

2011-01-01

We discuss issues in designing virtual humans for applications which require long-term voluntary use, and the problem of maintaining engagement with users over time. Concepts and theories related to engagement from a variety of disciplines are reviewed. We describe a platform for conducting studies into long-term interactions between humans and virtual agents, and present the results of two longitudinal randomized controlled experiments in which the effect of manipulations of agent behavior on user engagement was assessed. PMID:21318052

Human Activity Behavior and Gesture Generation in Virtual Worlds for Long- Duration Space Missions. Chapter 8

NASA Technical Reports Server (NTRS)

Sierhuis, Maarten; Clancey, William J.; Damer, Bruce; Brodsky, Boris; vanHoff, Ron

2007-01-01

A virtual worlds presentation technique with embodied, intelligent agents is being developed as an instructional medium suitable to present in situ training on long term space flight. The system combines a behavioral element based on finite state automata, a behavior based reactive architecture also described as subsumption architecture, and a belief-desire-intention agent structure. These three features are being integrated to describe a Brahms virtual environment model of extravehicular crew activity which could become a basis for procedure training during extended space flight.

Agency and Gender Influence Older Adults' Presence-Related Experiences in an Interactive Virtual Environment.

PubMed

Kothgassner, Oswald D; Goreis, Andreas; Kafka, Johanna X; Hlavacs, Helmut; Beutl, Leon; Kryspin-Exner, Ilse; Felnhofer, Anna

2018-05-01

While virtual humans are increasingly used to benefit the elderly, considerably little is still known about older adults' virtual experiences. However, due to age-related changes, older adults' perceptions of virtual environments (VEs) may be unique. Hence, our objective was to examine possible gender differences in immersion, flow, and emotional states as well as physical and social presence in elderly males and females interacting either with a computer-controlled agent or a human-controlled avatar. Seventy-eight German-speaking older adults were randomly assigned to an avatar or an agent condition and were exposed to a brief social encounter in a virtual café. Results indicate no overall gender differences, but a significant effect of agency on social presence, physical presence, immersion, and flow. Participants in the avatar condition reported higher levels in all measures, except for involvement. Furthermore, significant gender × agency interactions were found, with females showing more social presence, spatial presence, and flow when interacting with a human-controlled avatar and more realism when conversing with an agent. Also, all participants showed significant changes in their affect post exposure. In sum, older adults' virtual experiences seem to follow unique patterns, yet, they do not preclude the elderly from successfully participating in VEs.

Extending MAM5 Meta-Model and JaCalIV E Framework to Integrate Smart Devices from Real Environments.

PubMed

Rincon, J A; Poza-Lujan, Jose-Luis; Julian, V; Posadas-Yagüe, Juan-Luis; Carrascosa, C

2016-01-01

This paper presents the extension of a meta-model (MAM5) and a framework based on the model (JaCalIVE) for developing intelligent virtual environments. The goal of this extension is to develop augmented mirror worlds that represent a real and virtual world coupled, so that the virtual world not only reflects the real one, but also complements it. A new component called a smart resource artifact, that enables modelling and developing devices to access the real physical world, and a human in the loop agent to place a human in the system have been included in the meta-model and framework. The proposed extension of MAM5 has been tested by simulating a light control system where agents can access both virtual and real sensor/actuators through the smart resources developed. The results show that the use of real environment interactive elements (smart resource artifacts) in agent-based simulations allows to minimize the error between simulated and real system.

Extending MAM5 Meta-Model and JaCalIV E Framework to Integrate Smart Devices from Real Environments

PubMed Central

2016-01-01

This paper presents the extension of a meta-model (MAM5) and a framework based on the model (JaCalIVE) for developing intelligent virtual environments. The goal of this extension is to develop augmented mirror worlds that represent a real and virtual world coupled, so that the virtual world not only reflects the real one, but also complements it. A new component called a smart resource artifact, that enables modelling and developing devices to access the real physical world, and a human in the loop agent to place a human in the system have been included in the meta-model and framework. The proposed extension of MAM5 has been tested by simulating a light control system where agents can access both virtual and real sensor/actuators through the smart resources developed. The results show that the use of real environment interactive elements (smart resource artifacts) in agent-based simulations allows to minimize the error between simulated and real system. PMID:26926691

Perturbed Communication in a Virtual Environment to Train Medical Team Leaders.

PubMed

Huguet, Lauriane; Lourdeaux, Domitile; Sabouret, Nicolas; Ferrer, Marie-Hélène

2016-01-01

The VICTEAMS project aims at designing a virtual environment for training medical team leaders to non-technical skills. The virtual environment is populated with autonomous virtual agents who are able to make mistakes (in action or communication) in order to train rescue team leaders and to make them adaptive with all kinds of situations or teams.

A comparative analysis of dynamic grids vs. virtual grids using the A3pviGrid framework.

PubMed

Shankaranarayanan, Avinas; Amaldas, Christine

2010-11-01

With the proliferation of Quad/Multi-core micro-processors in mainstream platforms such as desktops and workstations; a large number of unused CPU cycles can be utilized for running virtual machines (VMs) as dynamic nodes in distributed environments. Grid services and its service oriented business broker now termed cloud computing could deploy image based virtualization platforms enabling agent based resource management and dynamic fault management. In this paper we present an efficient way of utilizing heterogeneous virtual machines on idle desktops as an environment for consumption of high performance grid services. Spurious and exponential increases in the size of the datasets are constant concerns in medical and pharmaceutical industries due to the constant discovery and publication of large sequence databases. Traditional algorithms are not modeled at handing large data sizes under sudden and dynamic changes in the execution environment as previously discussed. This research was undertaken to compare our previous results with running the same test dataset with that of a virtual Grid platform using virtual machines (Virtualization). The implemented architecture, A3pviGrid utilizes game theoretic optimization and agent based team formation (Coalition) algorithms to improve upon scalability with respect to team formation. Due to the dynamic nature of distributed systems (as discussed in our previous work) all interactions were made local within a team transparently. This paper is a proof of concept of an experimental mini-Grid test-bed compared to running the platform on local virtual machines on a local test cluster. This was done to give every agent its own execution platform enabling anonymity and better control of the dynamic environmental parameters. We also analyze performance and scalability of Blast in a multiple virtual node setup and present our findings. This paper is an extension of our previous research on improving the BLAST application framework using dynamic Grids on virtualization platforms such as the virtual box.

Manténgase saludable al elegir pescado y mariscos de manera inteligente

EPA Pesticide Factsheets

Los pescados y mariscos son una parte importante de una dieta saludable. Algunos pescados y mariscos pueden contener sustancias químicas que presenten un riesgo para la salud. Información sobre el consumo seguro de pescado y mariscos.

Sensor supervision and multiagent commanding by means of projective virtual reality

NASA Astrophysics Data System (ADS)

Rossmann, Juergen

1998-10-01

When autonomous systems with multiple agents are considered, conventional control- and supervision technologies are often inadequate because the amount of information available is often presented in a way that the user is effectively overwhelmed by the displayed data. New virtual reality (VR) techniques can help to cope with this problem, because VR offers the chance to convey information in an intuitive manner and can combine supervision capabilities and new, intuitive approaches to the control of autonomous systems. In the approach taken, control and supervision issues were equally stressed and finally led to the new ideas and the general framework for Projective Virtual Reality. The key idea of this new approach for an intuitively operable man machine interface for decentrally controlled multi-agent systems is to let the user act in the virtual world, detect the changes and have an action planning component automatically generate task descriptions for the agents involved to project actions that have been carried out by users in the virtual world into the physical world, e.g. with the help of robots. Thus the Projective Virtual Reality approach is to split the job between the task deduction in the VR and the task `projection' onto the physical automation components by the automatic action planning component. Besides describing the realized projective virtual reality system, the paper will also describe in detail the metaphors and visualization aids used to present different types of (e.g. sensor-) information in an intuitively comprehensible manner.

User modeling for distributed virtual environment intelligent agents

NASA Astrophysics Data System (ADS)

Banks, Sheila B.; Stytz, Martin R.

1999-07-01

This paper emphasizes the requirement for user modeling by presenting the necessary information to motivate the need for and use of user modeling for intelligent agent development. The paper will present information on our current intelligent agent development program, the Symbiotic Information Reasoning and Decision Support (SIRDS) project. We then discuss the areas of intelligent agents and user modeling, which form the foundation of the SIRDS project. Included in the discussion of user modeling are its major components, which are cognitive modeling and behavioral modeling. We next motivate the need for and user of a methodology to develop user models to encompass work within cognitive task analysis. We close the paper by drawing conclusions from our current intelligent agent research project and discuss avenues of future research in the utilization of user modeling for the development of intelligent agents for virtual environments.

Virtual expansion of the technical vision system for smart vehicles based on multi-agent cooperation model

NASA Astrophysics Data System (ADS)

Krapukhina, Nina; Senchenko, Roman; Kamenov, Nikolay

2017-12-01

Road safety and driving in dense traffic flows poses some challenges in receiving information about surrounding moving object, some of which can be in the vehicle's blind spot. This work suggests an approach to virtual monitoring of the objects in a current road scene via a system with a multitude of cooperating smart vehicles exchanging information. It also describes the intellectual agent model, and provides methods and algorithms of identifying and evaluating various characteristics of moving objects in video flow. Authors also suggest ways for integrating the information from the technical vision system into the model with further expansion of virtual monitoring for the system's objects. Implementation of this approach can help to expand the virtual field of view for a technical vision system.

Avatars and virtual agents – relationship interfaces for the elderly

PubMed Central

2017-01-01

In the Digital Era, the authors witness a change in the relationship between the patient and the care-giver or Health Maintenance Organization's providing the health services. Another fact is the use of various technologies to increase the effectiveness and quality of health services across all primary and secondary users. These technologies range from telemedicine systems, decision making tools, online and self-services applications and virtual agents; all providing information and assistance. The common thread between all these digital implementations, is they all require human machine interfaces. These interfaces must be interactive, user friendly and inviting, to create user involvement and cooperation incentives. The challenge is to design interfaces which will best fit the target users and enable smooth interaction especially, for the elderly users. Avatars and Virtual Agents are one of the interfaces used for both home care monitoring and companionship. They are also inherently multimodal in nature and allow an intimate relation between the elderly users and the Avatar. This study discusses the need and nature of these relationship models, the challenges of designing for the elderly. The study proposes key features for the design and evaluation in the area of assistive applications using Avatar and Virtual agents for the elderly users. PMID:28706725

Design and Implementation of an Intelligent Virtual Environment for Improving Speaking and Listening Skills

ERIC Educational Resources Information Center

Hassani, Kaveh; Nahvi, Ali; Ahmadi, Ali

2016-01-01

In this paper, we present an intelligent architecture, called intelligent virtual environment for language learning, with embedded pedagogical agents for improving listening and speaking skills of non-native English language learners. The proposed architecture integrates virtual environments into the Intelligent Computer-Assisted Language…

Educating Avatars: On Virtual Worlds and Pedagogical Intent

ERIC Educational Resources Information Center

Wang, Tsung Juang

2011-01-01

Virtual world technology is now being incorporated into various higher education programs, often with enthusiastic claims about the improvement of students' abilities to experience learning problems and tasks in computer-mediated virtual reality through the use of computer-generated personal agents or avatars. The interactivity of the avatars with…

Building a responsive teacher: how temporal contingency of gaze interaction influences word learning with virtual tutors

PubMed Central

Lee, Hanju; Kanakogi, Yasuhiro; Hiraki, Kazuo

2015-01-01

Animated pedagogical agents are lifelike virtual characters designed to augment learning. A review of developmental psychology literature led to the hypothesis that the temporal contingency of such agents would promote human learning. We developed a Pedagogical Agent with Gaze Interaction (PAGI), an experimental animated pedagogical agent that engages in gaze interaction with students. In this study, university students learned words of a foreign language, with temporally contingent PAGI (live group) or recorded version of PAGI (recorded group), which played pre-recorded sequences from live sessions. The result revealed that students in the live group scored considerably better than those in the recorded group. The finding indicates that incorporating temporal contingency of gaze interaction from a pedagogical agent has positive effect on learning. PMID:26064584

A Therapy System for Post-Traumatic Stress Disorder Using a Virtual Agent and Virtual Storytelling to Reconstruct Traumatic Memories.

PubMed

Tielman, Myrthe L; Neerincx, Mark A; Bidarra, Rafael; Kybartas, Ben; Brinkman, Willem-Paul

2017-08-01

Although post-traumatic stress disorder (PTSD) is well treatable, many people do not get the desired treatment due to barriers to care (such as stigma and cost). This paper presents a system that bridges this gap by enabling patients to follow therapy at home. A therapist is only involved remotely, to monitor progress and serve as a safety net. With this system, patients can recollect their memories in a digital diary and recreate them in a 3D WorldBuilder. Throughout the therapy, a virtual agent is present to inform and guide patients through the sessions, employing an ontology-based question module for recollecting traumatic memories to further elicit a detailed memory recollection. In a usability study with former PTSD patients (n = 4), these questions were found useful for memory recollection. Moreover, the usability of the whole system was rated positively. This system has the potential to be a valuable addition to the spectrum of PTSD treatments, offering a novel type of home therapy assisted by a virtual agent.

Simulating the decentralized processes of the human immune system in a virtual anatomy model.

PubMed

Sarpe, Vladimir; Jacob, Christian

2013-01-01

Many physiological processes within the human body can be perceived and modeled as large systems of interacting particles or swarming agents. The complex processes of the human immune system prove to be challenging to capture and illustrate without proper reference to the spatial distribution of immune-related organs and systems. Our work focuses on physical aspects of immune system processes, which we implement through swarms of agents. This is our first prototype for integrating different immune processes into one comprehensive virtual physiology simulation. Using agent-based methodology and a 3-dimensional modeling and visualization environment (LINDSAY Composer), we present an agent-based simulation of the decentralized processes in the human immune system. The agents in our model - such as immune cells, viruses and cytokines - interact through simulated physics in two different, compartmentalized and decentralized 3-dimensional environments namely, (1) within the tissue and (2) inside a lymph node. While the two environments are separated and perform their computations asynchronously, an abstract form of communication is allowed in order to replicate the exchange, transportation and interaction of immune system agents between these sites. The distribution of simulated processes, that can communicate across multiple, local CPUs or through a network of machines, provides a starting point to build decentralized systems that replicate larger-scale processes within the human body, thus creating integrated simulations with other physiological systems, such as the circulatory, endocrine, or nervous system. Ultimately, this system integration across scales is our goal for the LINDSAY Virtual Human project. Our current immune system simulations extend our previous work on agent-based simulations by introducing advanced visualizations within the context of a virtual human anatomy model. We also demonstrate how to distribute a collection of connected simulations over a network of computers. As a future endeavour, we plan to use parameter tuning techniques on our model to further enhance its biological credibility. We consider these in silico experiments and their associated modeling and optimization techniques as essential components in further enhancing our capabilities of simulating a whole-body, decentralized immune system, to be used both for medical education and research as well as for virtual studies in immunoinformatics.

An Intelligent Active Video Surveillance System Based on the Integration of Virtual Neural Sensors and BDI Agents

NASA Astrophysics Data System (ADS)

Gregorio, Massimo De

In this paper we present an intelligent active video surveillance system currently adopted in two different application domains: railway tunnels and outdoor storage areas. The system takes advantages of the integration of Artificial Neural Networks (ANN) and symbolic Artificial Intelligence (AI). This hybrid system is formed by virtual neural sensors (implemented as WiSARD-like systems) and BDI agents. The coupling of virtual neural sensors with symbolic reasoning for interpreting their outputs, makes this approach both very light from a computational and hardware point of view, and rather robust in performances. The system works on different scenarios and in difficult light conditions.

Sistemas de transporte inteligentes en cruces fronterizos internacionales : un estudio abarcador : facilitando el comercio y mejorando la seguridad en el transporte

DOT National Transportation Integrated Search

2001-04-01

El Programa de Permisosen Fronteras Internacionales (IBC por sus siglas en ingls) fue iniciado bajo la previsin del Acta de Eficiencia de Transporte Terrestre Intermodal (ISTEA por sus siglas en ingls) en 1991. El programa fue concebido origina...

Real-time path planning in dynamic virtual environments using multiagent navigation graphs.

PubMed

Sud, Avneesh; Andersen, Erik; Curtis, Sean; Lin, Ming C; Manocha, Dinesh

2008-01-01

We present a novel approach for efficient path planning and navigation of multiple virtual agents in complex dynamic scenes. We introduce a new data structure, Multi-agent Navigation Graph (MaNG), which is constructed using first- and second-order Voronoi diagrams. The MaNG is used to perform route planning and proximity computations for each agent in real time. Moreover, we use the path information and proximity relationships for local dynamics computation of each agent by extending a social force model [Helbing05]. We compute the MaNG using graphics hardware and present culling techniques to accelerate the computation. We also address undersampling issues and present techniques to improve the accuracy of our algorithm. Our algorithm is used for real-time multi-agent planning in pursuit-evasion, terrain exploration and crowd simulation scenarios consisting of hundreds of moving agents, each with a distinct goal.

Learning Icelandic Language and Culture in Virtual Reykjavik: Starting to Talk

ERIC Educational Resources Information Center

Bédi, Branislav; Arnbjörnsdóttir, Birna; Vilhjálmsson, Hannes Högni; Helgadóttir, Hafdís Erla; Ólafsson, Stefán; Björgvinsson, Elías

2016-01-01

This paper describes how beginners of Icelandic as a foreign and second language responded to playing the first scene in Virtual Reykjavik, a video game-like environment where learners interact with virtual characters--Embodied Conversational Agents (ECAs). This game enables learners to practice speaking and listening skills, to learn about the…

Virtual Learning Spaces in the Web: An Agent-Based Architecture of Personalized Collaborative Learning Environment.

ERIC Educational Resources Information Center

Nunez Esquer, Gustavo; Sheremetov, Leonid

This paper reports on the results and future research work within the paradigm of Configurable Collaborative Distance Learning, called Espacios Virtuales de Apredizaje (EVA). The paper focuses on: (1) description of the main concepts, including virtual learning spaces for knowledge, collaboration, consulting, and experimentation, a…

Conversations with Freudbot in Second Life: Mining the Virtuality of Relationship

ERIC Educational Resources Information Center

Heller, Bob

2017-01-01

The unstructured conversations of students who chatted with Freudbot in his Second Life virtual office over a 32-month period were examined in order to better understand the nature of the virtual relationship between students and conversational agents (CA) as historical figures. This research builds on past work that examined these conversations…

3D Inhabited Virtual Worlds: Interactivity and Interaction between Avatars, Autonomous Agents, and Users.

ERIC Educational Resources Information Center

Jensen, Jens F.

This paper addresses some of the central questions currently related to 3-Dimensional Inhabited Virtual Worlds (3D-IVWs), their virtual interactions, and communication, drawing from the theory and methodology of sociology, interaction analysis, interpersonal communication, semiotics, cultural studies, and media studies. First, 3D-IVWs--seen as a…

Novel Hybrid Virtual Screening Protocol Based on Molecular Docking and Structure-Based Pharmacophore for Discovery of Methionyl-tRNA Synthetase Inhibitors as Antibacterial Agents

PubMed Central

Liu, Chi; He, Gu; Jiang, Qinglin; Han, Bo; Peng, Cheng

2013-01-01

Methione tRNA synthetase (MetRS) is an essential enzyme involved in protein biosynthesis in all living organisms and is a potential antibacterial target. In the current study, the structure-based pharmacophore (SBP)-guided method has been suggested to generate a comprehensive pharmacophore of MetRS based on fourteen crystal structures of MetRS-inhibitor complexes. In this investigation, a hybrid protocol of a virtual screening method, comprised of pharmacophore model-based virtual screening (PBVS), rigid and flexible docking-based virtual screenings (DBVS), is used for retrieving new MetRS inhibitors from commercially available chemical databases. This hybrid virtual screening approach was then applied to screen the Specs (202,408 compounds) database, a structurally diverse chemical database. Fifteen hit compounds were selected from the final hits and shifted to experimental studies. These results may provide important information for further research of novel MetRS inhibitors as antibacterial agents. PMID:23839093

An intelligent virtual human system for providing healthcare information and support.

PubMed

Rizzo, Albert A; Lange, Belinda; Buckwalter, John G; Forbell, Eric; Kim, Julia; Sagae, Kenji; Williams, Josh; Rothbaum, Barbara O; Difede, JoAnn; Reger, Greg; Parsons, Thomas; Kenny, Patrick

2011-01-01

Over the last 15 years, a virtual revolution has taken place in the use of Virtual Reality simulation technology for clinical purposes. Shifts in the social and scientific landscape have now set the stage for the next major movement in Clinical Virtual Reality with the "birth" of intelligent virtual humans. Seminal research and development has appeared in the creation of highly interactive, artificially intelligent and natural language capable virtual human agents that can engage real human users in a credible fashion. No longer at the level of a prop to add context or minimal faux interaction in a virtual world, virtual humans can be designed to perceive and act in a 3D virtual world, engage in spoken dialogues with real users and can be capable of exhibiting human-like emotional reactions. This paper will present an overview of the SimCoach project that aims to develop virtual human support agents to serve as online guides for promoting access to psychological healthcare information and for assisting military personnel and family members in breaking down barriers to initiating care. The SimCoach experience is being designed to attract and engage military Service Members, Veterans and their significant others who might not otherwise seek help with a live healthcare provider. It is expected that this experience will motivate users to take the first step--to empower themselves to seek advice and information regarding their healthcare and general personal welfare and encourage them to take the next step towards seeking more formal resources if needed.

Distributed event-triggered consensus tracking of second-order multi-agent systems with a virtual leader

NASA Astrophysics Data System (ADS)

Jie, Cao; Zhi-Hai, Wu; Li, Peng

2016-05-01

This paper investigates the consensus tracking problems of second-order multi-agent systems with a virtual leader via event-triggered control. A novel distributed event-triggered transmission scheme is proposed, which is intermittently examined at constant sampling instants. Only partial neighbor information and local measurements are required for event detection. Then the corresponding event-triggered consensus tracking protocol is presented to guarantee second-order multi-agent systems to achieve consensus tracking. Numerical simulations are given to illustrate the effectiveness of the proposed strategy. Project supported by the National Natural Science Foundation of China (Grant Nos. 61203147, 61374047, and 61403168).

A Model Supported Interactive Virtual Environment for Natural Resource Sharing in Environmental Education

ERIC Educational Resources Information Center

Barbalios, N.; Ioannidou, I.; Tzionas, P.; Paraskeuopoulos, S.

2013-01-01

This paper introduces a realistic 3D model supported virtual environment for environmental education, that highlights the importance of water resource sharing by focusing on the tragedy of the commons dilemma. The proposed virtual environment entails simulations that are controlled by a multi-agent simulation model of a real ecosystem consisting…

Virtual commissioning of automated micro-optical assembly

NASA Astrophysics Data System (ADS)

Schlette, Christian; Losch, Daniel; Haag, Sebastian; Zontar, Daniel; Roßmann, Jürgen; Brecher, Christian

2015-02-01

In this contribution, we present a novel approach to enable virtual commissioning for process developers in micro-optical assembly. Our approach aims at supporting micro-optics experts to effectively develop assisted or fully automated assembly solutions without detailed prior experience in programming while at the same time enabling them to easily implement their own libraries of expert schemes and algorithms for handling optical components. Virtual commissioning is enabled by a 3D simulation and visualization system in which the functionalities and properties of automated systems are modeled, simulated and controlled based on multi-agent systems. For process development, our approach supports event-, state- and time-based visual programming techniques for the agents and allows for their kinematic motion simulation in combination with looped-in simulation results for the optical components. First results have been achieved for simply switching the agents to command the real hardware setup after successful process implementation and validation in the virtual environment. We evaluated and adapted our system to meet the requirements set by industrial partners-- laser manufacturers as well as hardware suppliers of assembly platforms. The concept is applied to the automated assembly of optical components for optically pumped semiconductor lasers and positioning of optical components for beam-shaping

Vicarious Learning: Effects of Overhearing Dialog and Monologue-Like Discourse in a Virtual Tutoring Session

ERIC Educational Resources Information Center

Driscoll, David M.; Craig, Scotty D.; Gholson, Barry; Ventura, Matthew; Hu, Xiangen; Graesser, Arthur C.

2003-01-01

In two experiments, students overheard two computer-controlled virtual agents discussing four computer literacy topics in dialog discourse and four in monologue discourse. In Experiment 1, the virtual tutee asked a series of deep questions in the dialog condition, but only one per topic in the monologue condition in both studies. In the dialog…

Constructing Virtual Training Demonstrations

DTIC Science & Technology

2008-12-01

virtual environments have been shown to be effective for training, and distributed game -based architectures contribute an added benefit of wide...investigation of how a demonstration authoring toolset can be constructed from existing virtual training environments using 3-D multiplayer gaming ...intelligent agents project to create AI middleware for simulations and videogames . The result was SimBionic®, which enables users to graphically author

Designing normative open virtual enterprises

NASA Astrophysics Data System (ADS)

Garcia, Emilia; Giret, Adriana; Botti, Vicente

2016-03-01

There is an increasing interest on developing virtual enterprises in order to deal with the globalisation of the economy, the rapid growth of information technologies and the increase of competitiveness. In this paper we deal with the development of normative open virtual enterprises (NOVEs). They are systems with a global objective that are composed of a set of heterogeneous entities and enterprises that exchange services following a specific normative context. In order to analyse and design systems of this kind the multi-agent paradigm seems suitable because it offers a specific solution for supporting the social and contractual relationships between enterprises and for formalising their business processes. This paper presents how the Regulated Open Multi-agent systems (ROMAS) methodology, an agent-oriented software methodology, can be used to analyse and design NOVEs. ROMAS offers a complete development process that allows identifying and formalising of the structure of NOVEs, their normative context and the interactions among their members. The use of ROMAS is exemplified by means of a case study that represents an automotive supply chain.

Reliable Prescreening of Candidate NerveAgent Prophylaxes via 3D QSAR

DTIC Science & Technology

2005-12-31

recognize and predict prospective toxicity among covalent -binding AChE inhibitors of potential application to nerve agent prophylaxis and...is below since many authors do not follow the 200 word limit 14. SUBJECT TERMS nerve agents , acetylcholinesterase, prophylaxis, QSAR, virtual...Report: Reliable Prescreening of Candidate NerveAgent Prophylaxes via 3D QSAR Report Title ABSTRACT Organophosphorus (OP) nerve agents are among the

The distributed agent-based approach in the e-manufacturing environment

NASA Astrophysics Data System (ADS)

Sękala, A.; Kost, G.; Dobrzańska-Danikiewicz, A.; Banaś, W.; Foit, K.

2015-11-01

The deficiency of a coherent flow of information from a production department causes unplanned downtime and failures of machines and their equipment, which in turn results in production planning process based on incorrect and out-of-date information. All of these factors entail, as the consequence, the additional difficulties associated with the process of decision-making. They concern, among other, the coordination of components of a distributed system and providing the access to the required information, thereby generating unnecessary costs. The use of agent technology significantly speeds up the flow of information within the virtual enterprise. This paper includes the proposal of a multi-agent approach for the integration of processes within the virtual enterprise concept. The presented concept was elaborated to investigate the possible solutions of the ways of transmission of information in the production system taking into account the self-organization of constituent components. Thus it implicated the linking of the concept of multi-agent system with the system of managing the production information, based on the idea of e-manufacturing. The paper presents resulting scheme that should be the base for elaborating an informatics model of the target virtual system. The computer system itself is intended to be developed next.

Research on Intelligent Synthesis Environments

NASA Technical Reports Server (NTRS)

Noor, Ahmed K.; Lobeck, William E.

2002-01-01

Four research activities related to Intelligent Synthesis Environment (ISE) have been performed under this grant. The four activities are: 1) non-deterministic approaches that incorporate technologies such as intelligent software agents, visual simulations and other ISE technologies; 2) virtual labs that leverage modeling, simulation and information technologies to create an immersive, highly interactive virtual environment tailored to the needs of researchers and learners; 3) advanced learning modules that incorporate advanced instructional, user interface and intelligent agent technologies; and 4) assessment and continuous improvement of engineering team effectiveness in distributed collaborative environments.

Research on Intelligent Synthesis Environments

NASA Astrophysics Data System (ADS)

Noor, Ahmed K.; Loftin, R. Bowen

2002-12-01

Four research activities related to Intelligent Synthesis Environment (ISE) have been performed under this grant. The four activities are: 1) non-deterministic approaches that incorporate technologies such as intelligent software agents, visual simulations and other ISE technologies; 2) virtual labs that leverage modeling, simulation and information technologies to create an immersive, highly interactive virtual environment tailored to the needs of researchers and learners; 3) advanced learning modules that incorporate advanced instructional, user interface and intelligent agent technologies; and 4) assessment and continuous improvement of engineering team effectiveness in distributed collaborative environments.

Identification of novel antitubulin agents by using a virtual screening approach based on a 7-point pharmacophore model of the tubulin colchi-site.

PubMed

Massarotti, Alberto; Theeramunkong, Sewan; Mesenzani, Ornella; Caldarelli, Antonio; Genazzani, Armando A; Tron, Gian Cesare

2011-12-01

Tubulin inhibition represents an established target in the field of anticancer research, and over the last 20 years, an intensive search for new antimicrotubule agents has occurred. Indeed, in silico models have been presented that might aid the discovery of novel agents. Among these, a 7-point pharmacophore model has been recently proposed. As a formal proof of this model, we carried out a ligand-based virtual screening on the colchicine-binding site. In vitro testing demonstrated that two compounds displayed a cytotoxic profile on neuroblastoma cancer cells (SH-SY5H) and one had an antitubulinic profile. © 2011 John Wiley & Sons A/S.

The Design of Motivational Agents and Avatars

ERIC Educational Resources Information Center

Baylor, Amy L.

2011-01-01

While the addition of an anthropomorphic interface agent to a learning system generally has little direct impact on learning, it potentially has a huge impact on learner motivation. As such agents become increasingly ubiquitous on the Internet, in virtual worlds, and as interfaces for learning and gaming systems, it is important to design them to…

An Approach for Autonomy: A Collaborative Communication Framework for Multi-Agent Systems

NASA Technical Reports Server (NTRS)

Dufrene, Warren Russell, Jr.

2005-01-01

Research done during the last three years has studied the emersion properties of Complex Adaptive Systems (CAS). The deployment of Artificial Intelligence (AI) techniques applied to remote Unmanned Aerial Vehicles has led the author to investigate applications of CAS within the field of Autonomous Multi-Agent Systems. The core objective of current research efforts is focused on the simplicity of Intelligent Agents (IA) and the modeling of these agents within complex systems. This research effort looks at the communication, interaction, and adaptability of multi-agents as applied to complex systems control. The embodiment concept applied to robotics has application possibilities within multi-agent frameworks. A new framework for agent awareness within a virtual 3D world concept is possible where the vehicle is composed of collaborative agents. This approach has many possibilities for applications to complex systems. This paper describes the development of an approach to apply this virtual framework to the NASA Goddard Space Flight Center (GSFC) tetrahedron structure developed under the Autonomous Nano Technology Swarm (ANTS) program and the Super Miniaturized Addressable Reconfigurable Technology (SMART) architecture program. These projects represent an innovative set of novel concepts deploying adaptable, self-organizing structures composed of many tetrahedrons. This technology is pushing current applied Agents Concepts to new levels of requirements and adaptability.

Social communication with virtual agents: The effects of body and gaze direction on attention and emotional responding in human observers.

PubMed

Marschner, Linda; Pannasch, Sebastian; Schulz, Johannes; Graupner, Sven-Thomas

2015-08-01

In social communication, the gaze direction of other persons provides important information to perceive and interpret their emotional response. Previous research investigated the influence of gaze by manipulating mutual eye contact. Therefore, gaze and body direction have been changed as a whole, resulting in only congruent gaze and body directions (averted or directed) of another person. Here, we aimed to disentangle these effects by using short animated sequences of virtual agents posing with either direct or averted body or gaze. Attention allocation by means of eye movements, facial muscle response, and emotional experience to agents of different gender and facial expressions were investigated. Eye movement data revealed longer fixation durations, i.e., a stronger allocation of attention, when gaze and body direction were not congruent with each other or when both were directed towards the observer. This suggests that direct interaction as well as incongruous signals increase the demands of attentional resources in the observer. For the facial muscle response, only the reaction of muscle zygomaticus major revealed an effect of body direction, expressed by stronger activity in response to happy expressions for direct compared to averted gaze when the virtual character's body was directed towards the observer. Finally, body direction also influenced the emotional experience ratings towards happy expressions. While earlier findings suggested that mutual eye contact is the main source for increased emotional responding and attentional allocation, the present results indicate that direction of the virtual agent's body and head also plays a minor but significant role. Copyright © 2015 Elsevier B.V. All rights reserved.

Virtual exploration of early stage atherosclerosis.

PubMed

Olivares, Andy L; González Ballester, Miguel A; Noailly, Jérôme

2016-12-15

Biological mechanisms contributing to atherogenesis are multiple and complex. The early stage of atherosclerosis (AS) is characterized by the accumulation of low-density lipoprotein (LDL) droplets, leading to the creation of foam cells (FC). To address the difficulty to explore the dynamics of interactions that controls this process, this study aimed to develop a model of agents and infer on the most influential cell- and molecule-related parameters. FC started to accumulate after six to eight months of simulated hypercholesterolemia. A sensitivity analysis revealed the strong influence of LDL oxidation rate on the risk of FC creation, which was exploited to model the antioxidant effect of statins. Combined with an empirical simulation of the drug ability to decrease the level of LDL, the virtual statins treatment led to reductions of oxidized LDL levels similar to reductions measured in vivo. An Open source software was used to develop the agent-based model of early AS. Two different concentrations of LDL agents were imposed in the intima layer to simulate healthy and hypercholesterolemia groups of 'virtual patients'. The interactions programmed between molecules and cells were based on experiments and models reported in the literature. A factorial sensitivity analysis explored the respective effects of the less documented model parameters as (i) agent migration speed, (ii) LDL oxidation rate and (iii) concentration of autoantibody agents. Finally, the response of the model to known perturbations was assessed by introducing statins agents, able to reduce the oxidation rate of LDL agents and the LDL boundary concentrations. jerome.noailly@upf.eduSupplementary information: Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

VBOT: Motivating computational and complex systems fluencies with constructionist virtual/physical robotics

NASA Astrophysics Data System (ADS)

Berland, Matthew W.

As scientists use the tools of computational and complex systems theory to broaden science perspectives (e.g., Bar-Yam, 1997; Holland, 1995; Wolfram, 2002), so can middle-school students broaden their perspectives using appropriate tools. The goals of this dissertation project are to build, study, evaluate, and compare activities designed to foster both computational and complex systems fluencies through collaborative constructionist virtual and physical robotics. In these activities, each student builds an agent (e.g., a robot-bird) that must interact with fellow students' agents to generate a complex aggregate (e.g., a flock of robot-birds) in a participatory simulation environment (Wilensky & Stroup, 1999a). In a participatory simulation, students collaborate by acting in a common space, teaching each other, and discussing content with one another. As a result, the students improve both their computational fluency and their complex systems fluency, where fluency is defined as the ability to both consume and produce relevant content (DiSessa, 2000). To date, several systems have been designed to foster computational and complex systems fluencies through computer programming and collaborative play (e.g., Hancock, 2003; Wilensky & Stroup, 1999b); this study suggests that, by supporting the relevant fluencies through collaborative play, they become mutually reinforcing. In this work, I will present both the design of the VBOT virtual/physical constructionist robotics learning environment and a comparative study of student interaction with the virtual and physical environments across four middle-school classrooms, focusing on the contrast in systems perspectives differently afforded by the two environments. In particular, I found that while performance gains were similar overall, the physical environment supported agent perspectives on aggregate behavior, and the virtual environment supported aggregate perspectives on agent behavior. The primary research questions are: (1) What are the relative affordances of virtual and physical constructionist robotics systems towards computational and complex systems fluencies? (2) What can middle school students learn using computational/complex systems learning environments in a collaborative setting? (3) In what ways are these environments and activities effective in teaching students computational and complex systems fluencies?

Inhibitors of Helicobacter pylori Protease HtrA Found by ‘Virtual Ligand’ Screening Combat Bacterial Invasion of Epithelia

PubMed Central

Schneider, Petra; Hoy, Benjamin; Wessler, Silja; Schneider, Gisbert

2011-01-01

Background The human pathogen Helicobacter pylori (H. pylori) is a main cause for gastric inflammation and cancer. Increasing bacterial resistance against antibiotics demands for innovative strategies for therapeutic intervention. Methodology/Principal Findings We present a method for structure-based virtual screening that is based on the comprehensive prediction of ligand binding sites on a protein model and automated construction of a ligand-receptor interaction map. Pharmacophoric features of the map are clustered and transformed in a correlation vector (‘virtual ligand’) for rapid virtual screening of compound databases. This computer-based technique was validated for 18 different targets of pharmaceutical interest in a retrospective screening experiment. Prospective screening for inhibitory agents was performed for the protease HtrA from the human pathogen H. pylori using a homology model of the target protein. Among 22 tested compounds six block E-cadherin cleavage by HtrA in vitro and result in reduced scattering and wound healing of gastric epithelial cells, thereby preventing bacterial infiltration of the epithelium. Conclusions/Significance This study demonstrates that receptor-based virtual screening with a permissive (‘fuzzy’) pharmacophore model can help identify small bioactive agents for combating bacterial infection. PMID:21483848

A posthuman liturgy? Virtual worlds, robotics, and human flourishing.

PubMed

Shatzer, Jacob

2013-01-01

In order to inspire a vision of biotechnology that affirms human dignity and human flourishing, the author poses questions about virtual reality and the use of robotics in health care. Using the concept of 'liturgy' and an anthropology of humans as lovers, the author explores how virtual reality and robotics in health care shape human moral agents, and how such shaping could influence the way we do or do not pursue a 'posthuman' future.

A desirability-based multi objective approach for the virtual screening discovery of broad-spectrum anti-gastric cancer agents

PubMed Central

Sánchez-Rodríguez, Aminael; Tejera, Eduardo; Cruz-Monteagudo, Maykel; Borges, Fernanda; Cordeiro, M. Natália D. S.; Le-Thi-Thu, Huong; Pham-The, Hai

2018-01-01

Gastric cancer is the third leading cause of cancer-related mortality worldwide and despite advances in prevention, diagnosis and therapy, it is still regarded as a global health concern. The efficacy of the therapies for gastric cancer is limited by a poor response to currently available therapeutic regimens. One of the reasons that may explain these poor clinical outcomes is the highly heterogeneous nature of this disease. In this sense, it is essential to discover new molecular agents capable of targeting various gastric cancer subtypes simultaneously. Here, we present a multi-objective approach for the ligand-based virtual screening discovery of chemical compounds simultaneously active against the gastric cancer cell lines AGS, NCI-N87 and SNU-1. The proposed approach relays in a novel methodology based on the development of ensemble models for the bioactivity prediction against each individual gastric cancer cell line. The methodology includes the aggregation of one ensemble per cell line using a desirability-based algorithm into virtual screening protocols. Our research leads to the proposal of a multi-targeted virtual screening protocol able to achieve high enrichment of known chemicals with anti-gastric cancer activity. Specifically, our results indicate that, using the proposed protocol, it is possible to retrieve almost 20 more times multi-targeted compounds in the first 1% of the ranked list than what is expected from a uniform distribution of the active ones in the virtual screening database. More importantly, the proposed protocol attains an outstanding initial enrichment of known multi-targeted anti-gastric cancer agents. PMID:29420638

Towards a Semantic-Based Approach for Affect and Metaphor Detection

ERIC Educational Resources Information Center

Zhang, Li; Barnden, John

2013-01-01

Affect detection from open-ended virtual improvisational contexts is a challenging task. To achieve this research goal, the authors developed an intelligent agent which was able to engage in virtual improvisation and perform sentence-level affect detection from user inputs. This affect detection development was efficient for the improvisational…

A Courseware to Script Animated Pedagogical Agents in Instructional Material for Elementary Students in English Education

ERIC Educational Resources Information Center

Hong, Zeng-Wei; Chen, Yen-Lin; Lan, Chien-Ho

2014-01-01

Animated agents are virtual characters who demonstrate facial expressions, gestures, movements, and speech to facilitate students' engagement in the learning environment. Our research developed a courseware that supports a XML-based markup language and an authoring tool for teachers to script animated pedagogical agents in teaching materials. The…

A Team of Pedagogical Agents in Multimedia Environment for Children

ERIC Educational Resources Information Center

Morozov, Mikhail; Tanakov, Andrey; Bystrov, Dmitriy

2004-01-01

This paper presents the multimedia product for teaching Natural Sciences to 10-12 years old children. In this product three pedagogical agents, Teacher and two pupils guide the learner through the virtual environment. The inclusion of a team of pedagogical agents permits us to create a micro-model of lesson activity and gives a reliable support of…

Needs, Pains, and Motivations in Autonomous Agents.

PubMed

Starzyk, Janusz A; Graham, James; Puzio, Leszek

This paper presents the development of a motivated learning (ML) agent with symbolic I/O. Our earlier work on the ML agent was enhanced, giving it autonomy for interaction with other agents. Specifically, we equipped the agent with drives and pains that establish its motivations to learn how to respond to desired and undesired events and create related abstract goals. The purpose of this paper is to explore the autonomous development of motivations and memory in agents within a simulated environment. The ML agent has been implemented in a virtual environment created within the NeoAxis game engine. Additionally, to illustrate the benefits of an ML-based agent, we compared the performance of our algorithm against various reinforcement learning (RL) algorithms in a dynamic test scenario, and demonstrated that our ML agent learns better than any of the tested RL agents.This paper presents the development of a motivated learning (ML) agent with symbolic I/O. Our earlier work on the ML agent was enhanced, giving it autonomy for interaction with other agents. Specifically, we equipped the agent with drives and pains that establish its motivations to learn how to respond to desired and undesired events and create related abstract goals. The purpose of this paper is to explore the autonomous development of motivations and memory in agents within a simulated environment. The ML agent has been implemented in a virtual environment created within the NeoAxis game engine. Additionally, to illustrate the benefits of an ML-based agent, we compared the performance of our algorithm against various reinforcement learning (RL) algorithms in a dynamic test scenario, and demonstrated that our ML agent learns better than any of the tested RL agents.

A Novel Computer-Based Set-Up to Study Movement Coordination in Human Ensembles

PubMed Central

Alderisio, Francesco; Lombardi, Maria; Fiore, Gianfranco; di Bernardo, Mario

2017-01-01

Existing experimental works on movement coordination in human ensembles mostly investigate situations where each subject is connected to all the others through direct visual and auditory coupling, so that unavoidable social interaction affects their coordination level. Here, we present a novel computer-based set-up to study movement coordination in human groups so as to minimize the influence of social interaction among participants and implement different visual pairings between them. In so doing, players can only take into consideration the motion of a designated subset of the others. This allows the evaluation of the exclusive effects on coordination of the structure of interconnections among the players in the group and their own dynamics. In addition, our set-up enables the deployment of virtual computer players to investigate dyadic interaction between a human and a virtual agent, as well as group synchronization in mixed teams of human and virtual agents. We show how this novel set-up can be employed to study coordination both in dyads and in groups over different structures of interconnections, in the presence as well as in the absence of virtual agents acting as followers or leaders. Finally, in order to illustrate the capabilities of the architecture, we describe some preliminary results. The platform is available to any researcher who wishes to unfold the mechanisms underlying group synchronization in human ensembles and shed light on its socio-psychological aspects. PMID:28649217

Who messed up my lake?

EPA Science Inventory

Initial results from a lake-wide agent based simulation releasing virtual drifters from multiple tributaries over time. We examine the use of agent based modeling to break down the sources contributing to the composition of nearshore waters. Knowing that flow is highly biased in ...

Animated pedagogical agents: How the presence and nonverbal communication of a virtual instructor affect perceptions and learning outcomes in a computer-based environment about basic physics concepts

NASA Astrophysics Data System (ADS)

Frechette, M. Casey

One important but under-researched area of instructional technology concerns the effects of animated pedagogical agents (APAs), or lifelike characters designed to enhance learning in computer-based environments. This research sought to broaden what is currently known about APAs' instructional value by investigating the effects of agents' visual presence and nonverbal communication. A theoretical framework based on APA literature published in the past decade guided the design of the study. This framework sets forth that APAs impact learning through their presence and communication. The communication displayed by an APA involves two distinct kinds of nonverbal cues: cognitive (hand and arm gestures) and affective (facial expressions). It was predicted that the presence of an agent would enhance learning and that nonverbal communication would amplify these effects. The research utilized a between-subjects experimental design. Participants were randomly assigned to treatment conditions in a controlled lab setting, and group means were compared with a MANCOVA. Participants received (1) a non-animated agent, (2) an agent with hand and arm gestures, (3) an agent with facial expressions, or (4) a fully animated agent. The agent appeared in a virtual learning environment focused on Kepler's laws of planetary motion. A control group did not receive the visual presence of an agent. Two effects were studied: participants' perceptions and their learning outcomes. Perceptions were measured with an attitudinal survey with five subscales. Learning outcomes were measured with an open-ended recall test, a multiple choice comprehension test, and an open-ended transfer test. Learners presented with an agent with affective nonverbal communication comprehended less than learners exposed to a non-animated agent. No significant differences were observed when a group exposed to a fully animated agent was compared to a group with a non-animated agent. Adding both nonverbal communication channels mitigated the disadvantages of adding just one kind of nonverbal cue. No statistically significant differences were observed on measures of recall or transfer, or on the attitudinal survey. The research supports the notion that invoking a human-like presence in a virtual learning environment prompts strong expectations about the character's realism. When these expectations are not met, learning is hindered.

Distributed Drug Discovery, Part 2: Global Rehearsal of Alkylating Agents for the Synthesis of Resin-Bound Unnatural Amino Acids and Virtual D3 Catalog Construction

PubMed Central

2008-01-01

Distributed Drug Discovery (D3) proposes solving large drug discovery problems by breaking them into smaller units for processing at multiple sites. A key component of the synthetic and computational stages of D3 is the global rehearsal of prospective reagents and their subsequent use in the creation of virtual catalogs of molecules accessible by simple, inexpensive combinatorial chemistry. The first section of this article documents the feasibility of the synthetic component of Distributed Drug Discovery. Twenty-four alkylating agents were rehearsed in the United States, Poland, Russia, and Spain, for their utility in the synthesis of resin-bound unnatural amino acids 1, key intermediates in many combinatorial chemistry procedures. This global reagent rehearsal, coupled to virtual library generation, increases the likelihood that any member of that virtual library can be made. It facilitates the realistic integration of worldwide virtual D3 catalog computational analysis with synthesis. The second part of this article describes the creation of the first virtual D3 catalog. It reports the enumeration of 24 416 acylated unnatural amino acids 5, assembled from lists of either rehearsed or well-precedented alkylating and acylating reagents, and describes how the resulting catalog can be freely accessed, searched, and downloaded by the scientific community. PMID:19105725

Intelligent Motion and Interaction Within Virtual Environments

NASA Technical Reports Server (NTRS)

Ellis, Stephen R. (Editor); Slater, Mel (Editor); Alexander, Thomas (Editor)

2007-01-01

What makes virtual actors and objects in virtual environments seem real? How can the illusion of their reality be supported? What sorts of training or user-interface applications benefit from realistic user-environment interactions? These are some of the central questions that designers of virtual environments face. To be sure simulation realism is not necessarily the major, or even a required goal, of a virtual environment intended to communicate specific information. But for some applications in entertainment, marketing, or aspects of vehicle simulation training, realism is essential. The following chapters will examine how a sense of truly interacting with dynamic, intelligent agents may arise in users of virtual environments. These chapters are based on presentations at the London conference on Intelligent Motion and Interaction within a Virtual Environments which was held at University College, London, U.K., 15-17 September 2003.

How gestures affect students: A comparative experiment using class presentations conducted by an anthropomorphic agent

NASA Astrophysics Data System (ADS)

Shirakawa, Tomohiro; Sato, Hiroshi; Imao, Tomoya

2017-07-01

Recently, a variety of user interfaces have been developed based on human-robot and human-agent interaction, and anthropomorphic agents are used as one type of interface. However, the use of anthropomorphic agents is applied mainly to the medical and cognitive sciences, and there are few studies of their application to other fields. Therefore, we used an anthropomorphic agent of MMD in a virtual lecture to analyze the effect of gestures on students and search for ways to apply anthropomorphic agents to the field of educational technology.

Virtual Learning Environments as Sociomaterial Agents in the Network of Teaching Practice

ERIC Educational Resources Information Center

Johannesen, Monica; Erstad, Ola; Habib, Laurence

2012-01-01

This article presents findings related to the sociomaterial agency of educators and their practice in Norwegian education. Using actor-network theory, we ask how Virtual Learning Environments (VLEs) negotiate the agency of educators and how they shape their teaching practice. Since the same kinds of VLE tools have been widely implemented…

Virtual screening and pharmacophore design for a novel theoretical inhibitor of macrophage stimulating factor as a metastatic agent.

PubMed

Torktaz, Ibrahim; Mohamadhashem, Faezeh; Esmaeili, Abolghasem; Behjati, Mohaddeseh; Sharifzadeh, Sara

2013-01-01

Metastasis is a crucial aspect of cancer. Macrophage stimulating protein (MSP) is a single chain protein and can be cleaved by serum proteases. MSP has several roles in metastasis. In this in silico study, MSP as a metastatic agent was considered as a drug target. Crystallographic structure of MSP was retrieved from protein data bank. To find a chemical inhibitor of MSP, a library of KEGG compounds was screened and 1000 shape complemented ligands were retrieved with FindSite algorithm. Molegro Virtual Docker (MVD) software was used for docking simulation of shape complemented ligands against MSP. Moldock score was used as scoring function for virtual screening and potential inhibitors with more negative binding energy were obtained. PLANS scoring function was used for revaluation of virtual screening data. The top found chemical had binding affinity of -183.55 based on MolDock score and equal to -66.733 PLANTs score to MSP structure. Based on pharmacophore model of potential inhibitor, this study suggests that the chemical which was found in this research and its derivate can be used for subsequent laboratory studies.

Combinatorially-generated library of 6-fluoroquinolone analogs as potential novel antitubercular agents: a chemometric and molecular modeling assessment.

PubMed

Minovski, Nikola; Perdih, Andrej; Solmajer, Tom

2012-05-01

The virtual combinatorial chemistry approach as a methodology for generating chemical libraries of structurally-similar analogs in a virtual environment was employed for building a general mixed virtual combinatorial library with a total of 53.871 6-FQ structural analogs, introducing the real synthetic pathways of three well known 6-FQ inhibitors. The druggability properties of the generated combinatorial 6-FQs were assessed using an in-house developed drug-likeness filter integrating the Lipinski/Veber rule-sets. The compounds recognized as drug-like were used as an external set for prediction of the biological activity values using a neural-networks (NN) model based on an experimentally-determined set of active 6-FQs. Furthermore, a subset of compounds was extracted from the pool of drug-like 6-FQs, with predicted biological activity, and subsequently used in virtual screening (VS) campaign combining pharmacophore modeling and molecular docking studies. This complex scheme, a powerful combination of chemometric and molecular modeling approaches provided novel QSAR guidelines that could aid in the further lead development of 6-FQs agents.

Evaluation of establishment of Cyphocleonus achates and its potential impact on spotted knapweed

Treesearch

Nancy Sturdevant; Sandy Kegley; Yvette Ortega; Dean Pearson

2006-01-01

Environmental characteristics of a site may greatly influence the establishment and impact of biological control agents on the target weed. A biological control agent that is highly successful in one region may be virtually ineffective in another (Gurr and Wratten 2000). To maximize the use of limited availability of agents and financial resources, we should...

Constructing Agent Model for Virtual Training Systems

NASA Astrophysics Data System (ADS)

Murakami, Yohei; Sugimoto, Yuki; Ishida, Toru

Constructing highly realistic agents is essential if agents are to be employed in virtual training systems. In training for collaboration based on face-to-face interaction, the generation of emotional expressions is one key. In training for guidance based on one-to-many interaction such as direction giving for evacuations, emotional expressions must be supplemented by diverse agent behaviors to make the training realistic. To reproduce diverse behavior, we characterize agents by using a various combinations of operation rules instantiated by the user operating the agent. To accomplish this goal, we introduce a user modeling method based on participatory simulations. These simulations enable us to acquire information observed by each user in the simulation and the operating history. Using these data and the domain knowledge including known operation rules, we can generate an explanation for each behavior. Moreover, the application of hypothetical reasoning, which offers consistent selection of hypotheses, to the generation of explanations allows us to use otherwise incompatible operation rules as domain knowledge. In order to validate the proposed modeling method, we apply it to the acquisition of an evacuee's model in a fire-drill experiment. We successfully acquire a subject's model corresponding to the results of an interview with the subject.

ISS method for coordination control of nonlinear dynamical agents under directed topology.

PubMed

Wang, Xiangke; Qin, Jiahu; Yu, Changbin

2014-10-01

The problems of coordination of multiagent systems with second-order locally Lipschitz continuous nonlinear dynamics under directed interaction topology are investigated in this paper. A completely nonlinear input-to-state stability (ISS)-based framework, drawing on ISS methods, with the aid of results from graph theory, matrix theory, and the ISS cyclic-small-gain theorem, is proposed for the coordination problem under directed topology, which can effectively tackle the technical challenges caused by locally Lipschitz continuous dynamics. Two coordination problems, i.e., flocking with a virtual leader and containment control, are considered. For both problems, it is assumed that only a portion of the agents can obtain the information from the leader(s). For the first problem, the proposed strategy is shown effective in driving a group of nonlinear dynamical agents reach the prespecified geometric pattern under the condition that at least one agent in each strongly connected component of the information-interconnection digraph with zero in-degree has access to the state information of the virtual leader; and the strategy proposed for the second problem can guarantee the nonlinear dynamical agents moving to the convex hull spanned by the positions of multiple leaders under the condition that for each agent there exists at least one leader that has a directed path to this agent.

Quantitative simulation of intracellular signaling cascades in a Virtual Liver: estimating dose dependent changes in hepatocellular proliferation and apoptosis

EPA Science Inventory

The US EPA Virtual Liver (v-Liver™) is developing an approach to predict dose-dependent hepatotoxicity as an in vivo tissue level response using in vitro data. The v-Liver accomplishes this using an in silico agent-based systems model that dynamically integrates environmental exp...

Exploring Arizona K-12 Virtual Educator Experiences and Perspectives Developing Collaborative Learning Communities

ERIC Educational Resources Information Center

Cross, Deborah Iyron

2015-01-01

Arizona Online Instruction (AOI) provided an instructional alternative to nearly fifty thousand K-12 students in Arizona during the 2012-2013 school year. Growth in online education underscores the importance of evolving the role of the K-12 virtual teacher as the human agent (Turvey, 2008) demonstrating social learning theory (Bandura, 1977) by…

World Virtual Observatory Organization

NASA Astrophysics Data System (ADS)

Ignatyev, Mikhail; Pinigin, Gennadij

On the base of experience of our Unoversity and Observatory we investigate the seven blocks model of virtual organization for consolidation of resources. This model consists of the next blocks: 1.Population-scientists students robots and agents. 2.Aspiration of population groups. 3.Territory. 4.Production. 5.Ecology and safety. 6.Finance. 7. External relations - input and output flows of population information resources.The world virtual observatory is the virtual world which consists of three groups of variables - appearances essences and structured uncertainty which defines the number and distribution of arbitrary coefficients in equivalent equations. The consolodation of recources permit to create the large telescopes with distributed structure on our planet and cosmos. Virtual instruments can have the best characteristics by means of collective effects which have investigated in our paper.

Unification of the macro- and microbiome in trophic ecology

USDA-ARS?s Scientific Manuscript database

Biological control is a key part of virtually any IPM program, and microbial bio-control agents represent particularly effective agents because of their capacity to be applied via conventional spray application methods. We are showing that fungi function just as arthropods do in the food web—the fun...

EVA: Collaborative Distributed Learning Environment Based in Agents.

ERIC Educational Resources Information Center

Sheremetov, Leonid; Tellez, Rolando Quintero

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

Persuasive Conversational Agent with Persuasion Tactics

NASA Astrophysics Data System (ADS)

Narita, Tatsuya; Kitamura, Yasuhiko

Persuasive conversational agents persuade people to change their attitudes or behaviors through conversation, and are expected to be applied as virtual sales clerks in e-shopping sites. As an approach to create such an agent, we have developed a learning agent with the Wizard of Oz method in which a person called Wizard talks to the user pretending to be the agent. The agent observes the conversations between the Wizard and the user, and learns how to persuade people. In this method, the Wizard has to reply to most of the user's inputs at the beginning, but the burden gradually falls because the agent learns how to reply as the conversation model grows.

Modelling Agent-Environment Interaction in Multi-Agent Simulations with Affordances

DTIC Science & Technology

2010-04-01

allow operations analysts to conduct statistical studies comparing the effectiveness of different systems or tactics in different scenarios. 11 Instead of...in a Monte-Carlo batch mode, producing statistical outcomes for particular measures of effectiveness. They typically also run at many times faster...Combined with annotated signs, the affordances allowed the traveller agents to find their way around the virtual airport and to conduct their business

Investigating Ground Swarm Robotics Using Agent Based Simulation

DTIC Science & Technology

2006-12-01

Incorporation of virtual pheromones as a shared memory map is modeled as an additional capability that is found to enhance the robustness and reliability of the...virtual pheromones as a shared memory map is modeled as an additional capability that is found to enhance the robustness and reliability of the swarm... PHEROMONES .......................................... 42 1. Repel Friends under Inorganic SA.................................................. 45 2. Max

Virtual Screening and Pharmacophore Design for a Novel Theoretical Inhibitor of Macrophage Stimulating Factor as a Metastatic Agent

PubMed Central

Torktaz, Ibrahim; Mohamadhashem, Faezeh; Esmaeili, Abolghasem; Behjati, Mohaddeseh; Sharifzadeh, Sara

2013-01-01

Introduction: Metastasis is a crucial aspect of cancer. Macrophage stimulating protein (MSP) is a single chain protein and can be cleaved by serum proteases. MSP has several roles in metastasis. In this in silico study, MSP as a metastatic agent was considered as a drug target. Methods: Crystallographic structure of MSP was retrieved from protein data bank. To find a chemical inhibitor of MSP, a library of KEGG compounds was screened and 1000 shape complemented ligands were retrieved with FindSite algorithm. Molegro Virtual Docker (MVD) software was used for docking simulation of shape complemented ligands against MSP. Moldock score was used as scoring function for virtual screening and potential inhibitors with more negative binding energy were obtained. PLANS scoring function was used for revaluation of virtual screening data. Results: The top found chemical had binding affinity of -183.55 based on MolDock score and equal to -66.733 PLANTs score to MSP structure. Conclusion: Based on pharmacophore model of potential inhibitor, this study suggests that the chemical which was found in this research and its derivate can be used for subsequent laboratory studies. PMID:24163807

Spatial considerations for instructional development in a virtual environment

NASA Technical Reports Server (NTRS)

Mccarthy, Laurie; Pontecorvo, Michael; Grant, Frances; Stiles, Randy

1993-01-01

In this paper we discuss spatial considerations for instructional development in a virtual environment. For both the instructional developer and the student, the important spatial criteria are perspective, orientation, scale, level of visual detail, and granularity of simulation. Developing a representation that allows an instructional developer to specify spatial criteria and enables intelligent agents to reason about a given instructional problem is of paramount importance to the success of instruction delivered in a virtual environment, especially one that supports dynamic exploration or spans more than one scale of operation.

Exploration of Metaphorical and Contextual Affect Sensing in a Virtual Improvisational Drama

NASA Astrophysics Data System (ADS)

Zhang, Li

Real-time affect detection from open-ended text-based dialogue is challenging but essential for the building of effective intelligent user interfaces. In this paper, we report updated developments of an affect detection model from text, including affect detection from one particular type of metaphorical affective expression (cooking metaphor) and affect detection based on context. The overall affect detection model has been embedded in an intelligent conversational AI agent interacting with human users under loose scenarios. Evaluation for the updated affect detection component is also provided. Our work contributes to the conference themes on engagement and emotion, interactions in games, storytelling and narrative in education, and virtual characters/agents development.

Open multi-agent control architecture to support virtual-reality-based man-machine interfaces

NASA Astrophysics Data System (ADS)

Freund, Eckhard; Rossmann, Juergen; Brasch, Marcel

2001-10-01

Projective Virtual Reality is a new and promising approach to intuitively operable man machine interfaces for the commanding and supervision of complex automation systems. The user interface part of Projective Virtual Reality heavily builds on latest Virtual Reality techniques, a task deduction component and automatic action planning capabilities. In order to realize man machine interfaces for complex applications, not only the Virtual Reality part has to be considered but also the capabilities of the underlying robot and automation controller are of great importance. This paper presents a control architecture that has proved to be an ideal basis for the realization of complex robotic and automation systems that are controlled by Virtual Reality based man machine interfaces. The architecture does not just provide a well suited framework for the real-time control of a multi robot system but also supports Virtual Reality metaphors and augmentations which facilitate the user's job to command and supervise a complex system. The developed control architecture has already been used for a number of applications. Its capability to integrate sensor information from sensors of different levels of abstraction in real-time helps to make the realized automation system very responsive to real world changes. In this paper, the architecture will be described comprehensively, its main building blocks will be discussed and one realization that is built based on an open source real-time operating system will be presented. The software design and the features of the architecture which make it generally applicable to the distributed control of automation agents in real world applications will be explained. Furthermore its application to the commanding and control of experiments in the Columbus space laboratory, the European contribution to the International Space Station (ISS), is only one example which will be described.

Flexible Virtual Structure Consideration in Dynamic Modeling of Mobile Robots Formation

NASA Astrophysics Data System (ADS)

El Kamel, A. Essghaier; Beji, L.; Lerbet, J.; Abichou, A.

2009-03-01

In cooperative mobile robotics, we look for formation keeping and maintenance of a geometric configuration during movement. As a solution to these problems, the concept of a virtual structure is considered. Based on this idea, we have developed an efficient flexible virtual structure, describing the dynamic model of n vehicles in formation and where the whole formation is kept dependant. Notes that, for 2D and 3D space navigation, only a rigid virtual structure was proposed in the literature. Further, the problem was limited to a kinematic behavior of the structure. Hence, the flexible virtual structure in dynamic modeling of mobile robots formation presented in this paper, gives more capabilities to the formation to avoid obstacles in hostile environment while keeping formation and avoiding inter-agent collision.

Social conditioning and extinction paradigm: a translational study in virtual reality.

PubMed

Shiban, Youssef; Reichenberger, Jonas; Neumann, Inga D; Mühlberger, Andreas

2015-01-01

In human beings, experiments investigating fear conditioning with social stimuli are rare. The current study aims at translating an animal model for social fear conditioning (SFC) to a human sample using an operant SFC paradigm in virtual reality. Forty participants actively (using a joystick) approached virtual male agents that served as conditioned stimuli (CS). During the acquisition phase, unconditioned stimuli (US), a combination of an air blast (5 bar, 10 ms) and a female scream (95 dB, 40 ms), were presented when participants reached a defined proximity to the agent with a contingency of 75% for CS+ agents and never for CS- agents. During the extinction and the test phases, no US was delivered. Outcome variables were pleasantness ratings and physiological reactions in heart rate (HR) and fear-potentiated startle. Additionally, the influence of social anxiety, which was measured with the Social Phobia Inventory scale, was evaluated. As expected after the acquisition phase the CS+ was rated clearly less pleasant than the CS-. This difference vanished during extinction. Furthermore, the HR remained high for the CS+, while the HR for the CS- was clearly lower after than before the acquisition. Furthermore, a clear difference between CS+ and CS- after the acquisition indicated successful conditioning on this translational measure. Contrariwise no CS+/CS- differences were observed in the physiological variables during extinction. Importantly, at the generalization test, higher socially fearful participants rated pleasantness of all agents as low whereas the lower socially fearful participants rated pleasantness as low only for the CS+. SFC was successfully induced and extinguished confirming operant conditioning in this SFC paradigm. These findings suggest that the paradigm is suitable to expand the knowledge about the learning and unlearning of social fears. Further studies should investigate the operant mechanisms of development and treatment of social anxiety disorder.

Friendship with a robot: Children's perception of similarity between a robot's physical and virtual embodiment that supports diabetes self-management.

PubMed

Sinoo, Claudia; van der Pal, Sylvia; Blanson Henkemans, Olivier A; Keizer, Anouk; Bierman, Bert P B; Looije, Rosemarijn; Neerincx, Mark A

2018-07-01

The PAL project develops a conversational agent with a physical (robot) and virtual (avatar) embodiment to support diabetes self-management of children ubiquitously. This paper assesses 1) the effect of perceived similarity between robot and avatar on children's' friendship towards the avatar, and 2) the effect of this friendship on usability of a self-management application containing the avatar (a) and children's motivation to play with it (b). During a four-day diabetes camp in the Netherlands, 21 children participated in interactions with both agent embodiments. Questionnaires measured perceived similarity, friendship, motivation to play with the app and its usability. Children felt stronger friendship towards the physical robot than towards the avatar. The more children perceived the robot and its avatar as the same agency, the stronger their friendship with the avatar was. The stronger their friendship with the avatar, the more they were motivated to play with the app and the higher the app scored on usability. The combination of physical and virtual embodiments seems to provide a unique opportunity for building ubiquitous long-term child-agent friendships. an avatar complementing a physical robot in health care could increase children's motivation and adherence to use self-management support systems. Copyright © 2018 Elsevier B.V. All rights reserved.

Identifying and Exploring Factors Affecting Embodied Conversational Agent Social Presence for Interpersonal Skills Training

ERIC Educational Resources Information Center

Chuah, Joon Hao

2013-01-01

Embodied conversational agents (ECAs) have been used as virtual conversational partners in interpersonal skills training applications such as medical interviews, military decision making, and cultural training. Ideally, in interpersonal skills training users will perceive and treat the ECAs the same as they would real people. The perception and…

Application of Psychological Theories in Agent-Based Modeling: The Case of the Theory of Planned Behavior.

PubMed

Scalco, Andrea; Ceschi, Andrea; Sartori, Riccardo

2018-01-01

It is likely that computer simulations will assume a greater role in the next future to investigate and understand reality (Rand & Rust, 2011). Particularly, agent-based models (ABMs) represent a method of investigation of social phenomena that blend the knowledge of social sciences with the advantages of virtual simulations. Within this context, the development of algorithms able to recreate the reasoning engine of autonomous virtual agents represents one of the most fragile aspects and it is indeed crucial to establish such models on well-supported psychological theoretical frameworks. For this reason, the present work discusses the application case of the theory of planned behavior (TPB; Ajzen, 1991) in the context of agent-based modeling: It is argued that this framework might be helpful more than others to develop a valid representation of human behavior in computer simulations. Accordingly, the current contribution considers issues related with the application of the model proposed by the TPB inside computer simulations and suggests potential solutions with the hope to contribute to shorten the distance between the fields of psychology and computer science.

Simultaneous virtual prediction of anti-Escherichia coli activities and ADMET profiles: A chemoinformatic complementary approach for high-throughput screening.

PubMed

Speck-Planche, Alejandro; Cordeiro, M N D S

2014-02-10

Escherichia coli remains one of the principal pathogens that cause nosocomial infections, medical conditions that are increasingly common in healthcare facilities. E. coli is intrinsically resistant to many antibiotics, and multidrug-resistant strains have emerged recently. Chemoinformatics has been a great ally of experimental methodologies such as high-throughput screening, playing an important role in the discovery of effective antibacterial agents. However, there is no approach that can design safer anti-E. coli agents, because of the multifactorial nature and complexity of bacterial diseases and the lack of desirable ADMET (absorption, distribution, metabolism, elimination, and toxicity) profiles as a major cause of disapproval of drugs. In this work, we introduce the first multitasking model based on quantitative-structure biological effect relationships (mtk-QSBER) for simultaneous virtual prediction of anti-E. coli activities and ADMET properties of drugs and/or chemicals under many experimental conditions. The mtk-QSBER model was developed from a large and heterogeneous data set of more than 37800 cases, exhibiting overall accuracies of >95% in both training and prediction (validation) sets. The utility of our mtk-QSBER model was demonstrated by performing virtual prediction of properties for the investigational drug avarofloxacin (AVX) under 260 different experimental conditions. Results converged with the experimental evidence, confirming the remarkable anti-E. coli activities and safety of AVX. Predictions also showed that our mtk-QSBER model can be a promising computational tool for virtual screening of desirable anti-E. coli agents, and this chemoinformatic approach could be extended to the search for safer drugs with defined pharmacological activities.

Operationalizing Dissuasion

DTIC Science & Technology

2006-06-01

agents or proxies—including the bombing of a west Berlin disco in 1986 that killed two U.S. servicemen and wounded 229 others. In 1986, Presidential...weapons materials, and coercive strikes—ultimately only proved successful when additional positive incentives were offered. Granted, the virtual ...is the insistence on regime change in the latter two cases. When Undersecretary John Bolton lumped Libya in with the “Axis of Evil” it virtually

Virtual screening of Indonesian flavonoid as neuraminidase inhibitor of influenza a subtype H5N1

NASA Astrophysics Data System (ADS)

Parikesit, A. A.; Ardiansah, B.; Handayani, D. M.; Tambunan, U. S. F.; Kerami, D.

2016-02-01

Highly Pathogenic Avian Influenza (HPAI) H5N1 poses a significant threat to animal and human health worldwide. The number of H5N1 infection in Indonesia is the highest during 2005-2013, with a mortality rate up to 83%. A mutation that occurred in H5N1 strain made it resistant to commercial antiviral agents such as oseltamivir and zanamivir, so the more potent antiviral agent is needed. In this study, virtual screening of Indonesian flavonoid as neuraminidase inhibitor of H5N1 was conducted. Total 491 flavonoid compound obtained from HerbalDB were screened. Molecular docking was performed using MOE 2008.10. This research resulted in Guajavin B as the best ligand.

Generating and Describing Affective Eye Behaviors

NASA Astrophysics Data System (ADS)

Mao, Xia; Li, Zheng

The manner of a person's eye movement conveys much about nonverbal information and emotional intent beyond speech. This paper describes work on expressing emotion through eye behaviors in virtual agents based on the parameters selected from the AU-Coded facial expression database and real-time eye movement data (pupil size, blink rate and saccade). A rule-based approach to generate primary (joyful, sad, angry, afraid, disgusted and surprise) and intermediate emotions (emotions that can be represented as the mixture of two primary emotions) utilized the MPEG4 FAPs (facial animation parameters) is introduced. Meanwhile, based on our research, a scripting tool, named EEMML (Emotional Eye Movement Markup Language) that enables authors to describe and generate emotional eye movement of virtual agents, is proposed.

Mobile, Virtual Enhancements for Rehabilitation (MOVER)

DTIC Science & Technology

2013-11-28

Modeling Autobiographical Memory for Believable Agents, AIIDE, Boston, MA. 2013. From the abstract: “We present a multi-layer hierarchical...connectionist network model for simulating human autobiographical memory in believable agents. Grounded in psychological theory, this model improves on...previous attempts to model agents’ event knowledge by providing a more dynamic and nondeterministic representation of autobiographical memories .” This

A Fully Immersive Set-Up for Remote Interaction and Neurorehabilitation Based on Virtual Body Ownership

PubMed Central

Perez-Marcos, Daniel; Solazzi, Massimiliano; Steptoe, William; Oyekoya, Oyewole; Frisoli, Antonio; Weyrich, Tim; Steed, Anthony; Tecchia, Franco; Slater, Mel; Sanchez-Vives, Maria V.

2012-01-01

Although telerehabilitation systems represent one of the most technologically appealing clinical solutions for the immediate future, they still present limitations that prevent their standardization. Here we propose an integrated approach that includes three key and novel factors: (a) fully immersive virtual environments, including virtual body representation and ownership; (b) multimodal interaction with remote people and virtual objects including haptic interaction; and (c) a physical representation of the patient at the hospital through embodiment agents (e.g., as a physical robot). The importance of secure and rapid communication between the nodes is also stressed and an example implemented solution is described. Finally, we discuss the proposed approach with reference to the existing literature and systems. PMID:22787454

Integration agent-based models and GIS as a virtual urban dynamic laboratory

NASA Astrophysics Data System (ADS)

Chen, Peng; Liu, Miaolong

2007-06-01

Based on the Agent-based Model and spatial data model, a tight-coupling integrating method of GIS and Agent-based Model (ABM) is to be discussed in this paper. The use of object-orientation for both spatial data and spatial process models facilitates their integration, which can allow exploration and explanation of spatial-temporal phenomena such as urban dynamic. In order to better understand how tight coupling might proceed and to evaluate the possible functional and efficiency gains from such a tight coupling, the agent-based model and spatial data model are discussed, and then the relationships affecting spatial data model and agent-based process models interaction. After that, a realistic crowd flow simulation experiment is presented. Using some tools provided by general GIS systems and a few specific programming languages, a new software system integrating GIS and MAS as a virtual laboratory applicable for simulating pedestrian flows in a crowd activity centre has been developed successfully. Under the environment supported by the software system, as an applicable case, a dynamic evolution process of the pedestrian's flows (dispersed process for the spectators) in a crowds' activity center - The Shanghai Stadium has been simulated successfully. At the end of the paper, some new research problems have been pointed out for the future.

An Agent-Based Intervention to Assist Drivers Under Stereotype Threat: Effects of In-Vehicle Agents' Attributional Error Feedback.

PubMed

Joo, Yeon Kyoung; Lee-Won, Roselyn J

2016-10-01

For members of a group negatively stereotyped in a domain, making mistakes can aggravate the influence of stereotype threat because negative stereotypes often blame target individuals and attribute the outcome to their lack of ability. Virtual agents offering real-time error feedback may influence performance under stereotype threat by shaping the performers' attributional perception of errors they commit. We explored this possibility with female drivers, considering the prevalence of the "women-are-bad-drivers" stereotype. Specifically, we investigated how in-vehicle voice agents offering error feedback based on responsibility attribution (internal vs. external) and outcome attribution (ability vs. effort) influence female drivers' performance under stereotype threat. In addressing this question, we conducted an experiment in a virtual driving simulation environment that provided moment-to-moment error feedback messages. Participants performed a challenging driving task and made mistakes preprogrammed to occur. Results showed that the agent's error feedback with outcome attribution moderated the stereotype threat effect on driving performance. Participants under stereotype threat had a smaller number of collisions when the errors were attributed to effort than to ability. In addition, outcome attribution feedback moderated the effect of responsibility attribution on driving performance. Implications of these findings are discussed.

Using an agent-based model to analyze the dynamic communication network of the immune response

PubMed Central

2011-01-01

Background The immune system behaves like a complex, dynamic network with interacting elements including leukocytes, cytokines, and chemokines. While the immune system is broadly distributed, leukocytes must communicate effectively to respond to a pathological challenge. The Basic Immune Simulator 2010 contains agents representing leukocytes and tissue cells, signals representing cytokines, chemokines, and pathogens, and virtual spaces representing organ tissue, lymphoid tissue, and blood. Agents interact dynamically in the compartments in response to infection of the virtual tissue. Agent behavior is imposed by logical rules derived from the scientific literature. The model captured the agent-to-agent contact history, and from this the network topology and the interactions resulting in successful versus failed viral clearance were identified. This model served to integrate existing knowledge and allowed us to examine the immune response from a novel perspective directed at exploiting complex dynamics, ultimately for the design of therapeutic interventions. Results Analyzing the evolution of agent-agent interactions at incremental time points from identical initial conditions revealed novel features of immune communication associated with successful and failed outcomes. There were fewer contacts between agents for simulations ending in viral elimination (win) versus persistent infection (loss), due to the removal of infected agents. However, early cellular interactions preceded successful clearance of infection. Specifically, more Dendritic Agent interactions with TCell and BCell Agents, and more BCell Agent interactions with TCell Agents early in the simulation were associated with the immune win outcome. The Dendritic Agents greatly influenced the outcome, confirming them as hub agents of the immune network. In addition, unexpectedly high frequencies of Dendritic Agent-self interactions occurred in the lymphoid compartment late in the loss outcomes. Conclusions An agent-based model capturing several key aspects of complex system dynamics was used to study the emergent properties of the immune response to viral infection. Specific patterns of interactions between leukocyte agents occurring early in the response significantly improved outcome. More interactions at later stages correlated with persistent inflammation and infection. These simulation experiments highlight the importance of commonly overlooked aspects of the immune response and provide insight into these processes at a resolution level exceeding the capabilities of current laboratory technologies. PMID:21247471

Evaluating a Computational Model of Emotion

DTIC Science & Technology

2006-01-01

empathy and intrinsic motivation in a learning-by-teaching system. Simulation-driven approaches aim at simulating the cognitive process underlying...9, pp. 1-44, 1999. [9] K. Ryokai, C. Vaucelle, and J. Cassell, "Virtual Peers as Partners in Storytelling and Literacy Learning," Journal of...Australia, 2003. [28] M. Cavazza, F. Charles, and S. J. Mead, "Agents’ Interaction in Virtual Storytelling ," presented at Third Interna- tional Workshop on

Evolving a Neural Olfactorimotor System in Virtual and Real Olfactory Environments

PubMed Central

Rhodes, Paul A.; Anderson, Todd O.

2012-01-01

To provide a platform to enable the study of simulated olfactory circuitry in context, we have integrated a simulated neural olfactorimotor system with a virtual world which simulates both computational fluid dynamics as well as a robotic agent capable of exploring the simulated plumes. A number of the elements which we developed for this purpose have not, to our knowledge, been previously assembled into an integrated system, including: control of a simulated agent by a neural olfactorimotor system; continuous interaction between the simulated robot and the virtual plume; the inclusion of multiple distinct odorant plumes and background odor; the systematic use of artificial evolution driven by olfactorimotor performance (e.g., time to locate a plume source) to specify parameter values; the incorporation of the realities of an imperfect physical robot using a hybrid model where a physical robot encounters a simulated plume. We close by describing ongoing work toward engineering a high dimensional, reversible, low power electronic olfactory sensor which will allow olfactorimotor neural circuitry evolved in the virtual world to control an autonomous olfactory robot in the physical world. The platform described here is intended to better test theories of olfactory circuit function, as well as provide robust odor source localization in realistic environments. PMID:23112772

Moving attractive virtual agent improves interpersonal coordination stability.

PubMed

Zhao, Zhong; Salesse, Robin N; Gueugnon, Mathieu; Schmidt, Richard C; Marin, Ludovic; Bardy, Benoît G

2015-06-01

Interpersonal motor coordination is influenced not only by biomechanical factors such as coordination pattern, oscillating frequency, and individual differences, but also by psychosocial factor such as likability and social competences. Based on the social stereotype of "what is beautiful is good", the present study aimed at investigating whether people coordinate differently with physically attractive people compared to less attractive people. 34 participants were engaged in an interpersonal coordination task with different looking (virtual) agents while performing at the same time a reaction time task. Results showed that participants had more stable motor coordination with the moving attractive than with the less attractive agent, and that the difference in motor coordination could not be interpreted by a specific attention allocation strategy. Our findings provide the evidence that physical attractiveness genuinely affects how people interact with another person, and that the temporal-spatial coordinated movement varies with the partner's psychosocial characteristics. The study broadens the perspective of exploring the effect of additional psychosocial factors on social motor coordination. Copyright © 2015 Elsevier B.V. All rights reserved.

Opportunistic Behavior in Motivated Learning Agents.

PubMed

Graham, James; Starzyk, Janusz A; Jachyra, Daniel

2015-08-01

This paper focuses on the novel motivated learning (ML) scheme and opportunistic behavior of an intelligent agent. It extends previously developed ML to opportunistic behavior in a multitask situation. Our paper describes the virtual world implementation of autonomous opportunistic agents learning in a dynamically changing environment, creating abstract goals, and taking advantage of arising opportunities to improve their performance. An opportunistic agent achieves better results than an agent based on ML only. It does so by minimizing the average value of all need signals rather than a dominating need. This paper applies to the design of autonomous embodied systems (robots) learning in real-time how to operate in a complex environment.

A 3D character animation engine for multimodal interaction on mobile devices

NASA Astrophysics Data System (ADS)

Sandali, Enrico; Lavagetto, Fabio; Pisano, Paolo

2005-03-01

Talking virtual characters are graphical simulations of real or imaginary persons that enable natural and pleasant multimodal interaction with the user, by means of voice, eye gaze, facial expression and gestures. This paper presents an implementation of a 3D virtual character animation and rendering engine, compliant with the MPEG-4 standard, running on Symbian-based SmartPhones. Real-time animation of virtual characters on mobile devices represents a challenging task, since many limitations must be taken into account with respect to processing power, graphics capabilities, disk space and execution memory size. The proposed optimization techniques allow to overcome these issues, guaranteeing a smooth and synchronous animation of facial expressions and lip movements on mobile phones such as Sony-Ericsson's P800 and Nokia's 6600. The animation engine is specifically targeted to the development of new "Over The Air" services, based on embodied conversational agents, with applications in entertainment (interactive story tellers), navigation aid (virtual guides to web sites and mobile services), news casting (virtual newscasters) and education (interactive virtual teachers).

Multi-agent grid system Agent-GRID with dynamic load balancing of cluster nodes

NASA Astrophysics Data System (ADS)

Satymbekov, M. N.; Pak, I. T.; Naizabayeva, L.; Nurzhanov, Ch. A.

2017-12-01

In this study the work presents the system designed for automated load balancing of the contributor by analysing the load of compute nodes and the subsequent migration of virtual machines from loaded nodes to less loaded ones. This system increases the performance of cluster nodes and helps in the timely processing of data. A grid system balances the work of cluster nodes the relevance of the system is the award of multi-agent balancing for the solution of such problems.

"Let's Set Up Some Subgoals": Understanding Human-Pedagogical Agent Collaborations and Their Implications for Learning and Prompt and Feedback Compliance

ERIC Educational Resources Information Center

Harley, Jason M.; Taub, Michelle; Azevedo, Roger; Bouchet, Francois

2018-01-01

Research on collaborative learning between humans and virtual pedagogical agents represents a necessary extension to recent research on the conceptual, theoretical, methodological, analytical, and educational issues behind co- and socially-shared regulated learning between humans. This study presents a novel coding framework that was developed and…

An agent-based peer-to-peer architecture for semantic discovery of manufacturing services across virtual enterprises

NASA Astrophysics Data System (ADS)

Zhang, Wenyu; Zhang, Shuai; Cai, Ming; Jian, Wu

2015-04-01

With the development of virtual enterprise (VE) paradigm, the usage of serviceoriented architecture (SOA) is increasingly being considered for facilitating the integration and utilisation of distributed manufacturing resources. However, due to the heterogeneous nature among VEs, the dynamic nature of a VE and the autonomous nature of each VE member, the lack of both sophisticated coordination mechanism in the popular centralised infrastructure and semantic expressivity in the existing SOA standards make the current centralised, syntactic service discovery method undesirable. This motivates the proposed agent-based peer-to-peer (P2P) architecture for semantic discovery of manufacturing services across VEs. Multi-agent technology provides autonomous and flexible problemsolving capabilities in dynamic and adaptive VE environments. Peer-to-peer overlay provides highly scalable coupling across decentralised VEs, each of which exhibiting as a peer composed of multiple agents dealing with manufacturing services. The proposed architecture utilises a novel, efficient, two-stage search strategy - semantic peer discovery and semantic service discovery - to handle the complex searches of manufacturing services across VEs through fast peer filtering. The operation and experimental evaluation of the prototype system are presented to validate the implementation of the proposed approach.

A Multi-Agent Approach to the Simulation of Robotized Manufacturing Systems

NASA Astrophysics Data System (ADS)

Foit, K.; Gwiazda, A.; Banaś, W.

2016-08-01

The recent years of eventful industry development, brought many competing products, addressed to the same market segment. The shortening of a development cycle became a necessity if the company would like to be competitive. Because of switching to the Intelligent Manufacturing model the industry search for new scheduling algorithms, while the traditional ones do not meet the current requirements. The agent-based approach has been considered by many researchers as an important way of evolution of modern manufacturing systems. Due to the properties of the multi-agent systems, this methodology is very helpful during creation of the model of production system, allowing depicting both processing and informational part. The complexity of such approach makes the analysis impossible without the computer assistance. Computer simulation still uses a mathematical model to recreate a real situation, but nowadays the 2D or 3D virtual environments or even virtual reality have been used for realistic illustration of the considered systems. This paper will focus on robotized manufacturing system and will present the one of possible approaches to the simulation of such systems. The selection of multi-agent approach is motivated by the flexibility of this solution that offers the modularity, robustness and autonomy.

Embodied Agents, E-SQ and Stickiness: Improving Existing Cognitive and Affective Models

NASA Astrophysics Data System (ADS)

de Diesbach, Pablo Brice

This paper synthesizes results from two previous studies of embodied virtual agents on commercial websites. We analyze and criticize the proposed models and discuss the limits of the experimental findings. Results from other important research in the literature are integrated. We also integrate concepts from profound, more business-related, analysis that deepens on the mechanisms of rhetoric in marketing and communication, and the possible role of E-SQ in man-agent interaction. We finally suggest a refined model for the impacts of these agents on web site users, and limits of the improved model are commented.

Virtual Screening Approach of Bacterial Peptide Deformylase Inhibitors Results in New Antibiotics.

PubMed

Merzoug, Amina; Chikhi, Abdelouahab; Bensegueni, Abderrahmane; Boucherit, Hanane; Okay, Sezer

2018-03-01

The increasing resistance of bacteria to antibacterial therapy poses an enormous health problem, it renders the development of new antibacterial agents with novel mechanism of action an urgent need. Peptide deformylase, a metalloenzyme which catalytically removes N-formyl group from N-terminal methionine of newly synthesized polypeptides, is an important target in antibacterial drug discovery. In this study, we report the structure-based virtual screening of ZINC database in order to discover potential hits as bacterial peptide deformylase enzyme inhibitors with more affinity as compared to GSK1322322, previously known inhibitor. After virtual screening, fifteen compounds of the top hits predicted were purchased and evaluated in vitro for their antibacterial activities against one Gram positive (Staphylococcus aureus) and three Gram negative (Escherichia coli, Pseudomonas aeruginosa and Klebsiella. pneumoniae) bacteria in different concentrations by disc diffusion method. Out of these, three compounds, ZINC00039650, ZINC03872971 and ZINC00126407, exhibited significant zone of inhibition. The results obtained were confirmed using the dilution method. Thus, these proposed compounds may aid the development of more efficient antibacterial agents. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Human Robotic Swarm Interaction Using an Artificial Physics Approach

DTIC Science & Technology

2014-12-01

calculates virtual forces that are summed and translated into velocity commands. The virtual forces are modeled after real physical forces such as...results from the physical experiments show that an artificial physics-based framework is an effective way to allow multiple agents to follow a human... modeled after real physical forces such as gravitational and Coulomb, forces but are not restricted to them, for example, the force magnitude may not be

Ribbon networks for modeling navigable paths of autonomous agents in virtual environments.

PubMed

Willemsen, Peter; Kearney, Joseph K; Wang, Hongling

2006-01-01

This paper presents the Environment Description Framework (EDF) for modeling complex networks of intersecting roads and pathways in virtual environments. EDF represents information about the layout of streets and sidewalks, the rules that govern behavior on roads and walkways, and the locations of agents with respect to navigable structures. The framework serves as the substrate on which behavior programs for autonomous vehicles and pedestrians are built. Pathways are modeled as ribbons in space. The ribbon structure provides a natural coordinate frame for defining the local geometry of navigable surfaces. EDF includes a powerful runtime interface supported by robust and efficient code for locating objects on the ribbon network, for mapping between Cartesian and ribbon coordinates, and for determining behavioral constraints imposed by the environment.

Social conditioning and extinction paradigm: a translational study in virtual reality

PubMed Central

Shiban, Youssef; Reichenberger, Jonas; Neumann, Inga D.; Mühlberger, Andreas

2015-01-01

In human beings, experiments investigating fear conditioning with social stimuli are rare. The current study aims at translating an animal model for social fear conditioning (SFC) to a human sample using an operant SFC paradigm in virtual reality. Forty participants actively (using a joystick) approached virtual male agents that served as conditioned stimuli (CS). During the acquisition phase, unconditioned stimuli (US), a combination of an air blast (5 bar, 10 ms) and a female scream (95 dB, 40 ms), were presented when participants reached a defined proximity to the agent with a contingency of 75% for CS+ agents and never for CS– agents. During the extinction and the test phases, no US was delivered. Outcome variables were pleasantness ratings and physiological reactions in heart rate (HR) and fear-potentiated startle. Additionally, the influence of social anxiety, which was measured with the Social Phobia Inventory scale, was evaluated. As expected after the acquisition phase the CS+ was rated clearly less pleasant than the CS–. This difference vanished during extinction. Furthermore, the HR remained high for the CS+, while the HR for the CS– was clearly lower after than before the acquisition. Furthermore, a clear difference between CS+ and CS– after the acquisition indicated successful conditioning on this translational measure. Contrariwise no CS+/CS– differences were observed in the physiological variables during extinction. Importantly, at the generalization test, higher socially fearful participants rated pleasantness of all agents as low whereas the lower socially fearful participants rated pleasantness as low only for the CS+. SFC was successfully induced and extinguished confirming operant conditioning in this SFC paradigm. These findings suggest that the paradigm is suitable to expand the knowledge about the learning and unlearning of social fears. Further studies should investigate the operant mechanisms of development and treatment of social anxiety disorder. PMID:25904889

How and Why Affective and Reactive Virtual Agents Will Bring New Insights on Social Cognitive Disorders in Schizophrenia? An Illustration with a Virtual Card Game Paradigm

PubMed Central

Oker, Ali; Prigent, Elise; Courgeon, Matthieu; Eyharabide, Victoria; Urbach, Mathieu; Bazin, Nadine; Amorim, Michel-Ange; Passerieux, Christine; Martin, Jean-Claude; Brunet-Gouet, Eric

2015-01-01

In recent decades, many studies have shown that schizophrenia is associated with severe social cognitive impairments affecting key components, such as the recognition of emotions, theory of mind, attributional style, and metacognition. Most studies investigated each construct separately, precluding analysis of the interactive and immersive nature of real-life situation. Specialized batteries of tests are under investigation to assess social cognition, which is thought now as a link between neurocognitive disorders and impaired functioning. However, this link accounts for a limited part of the variance of real-life functioning. To fill this gap, advances in virtual reality and affective computing have made it possible to carry out experimental investigations of naturalistic social cognition, in controlled conditions, with good reproducibility. This approach is illustrated with the description of a new paradigm based on an original virtual card game in which subjects interpret emotional displays from a female virtual agent, and decipher her helping intentions. Independent variables concerning emotional expression in terms of valence and intensity were manipulated. We show how several useful dependant variables, ranging from classic experimental psychology data to metacognition or subjective experiences records, may be extracted from a single experiment. Methodological issues about the immersion into a simulated intersubjective situation are considered. The example of this new flexible experimental setting, with regards to the many constructs recognized in social neurosciences, constitutes a rationale for focusing on this potential intermediate link between standardized tests and real-life functioning, and also for using it as an innovative media for cognitive remediation. PMID:25870549

How and why affective and reactive virtual agents will bring new insights on social cognitive disorders in schizophrenia? An illustration with a virtual card game paradigm.

PubMed

Oker, Ali; Prigent, Elise; Courgeon, Matthieu; Eyharabide, Victoria; Urbach, Mathieu; Bazin, Nadine; Amorim, Michel-Ange; Passerieux, Christine; Martin, Jean-Claude; Brunet-Gouet, Eric

2015-01-01

In recent decades, many studies have shown that schizophrenia is associated with severe social cognitive impairments affecting key components, such as the recognition of emotions, theory of mind, attributional style, and metacognition. Most studies investigated each construct separately, precluding analysis of the interactive and immersive nature of real-life situation. Specialized batteries of tests are under investigation to assess social cognition, which is thought now as a link between neurocognitive disorders and impaired functioning. However, this link accounts for a limited part of the variance of real-life functioning. To fill this gap, advances in virtual reality and affective computing have made it possible to carry out experimental investigations of naturalistic social cognition, in controlled conditions, with good reproducibility. This approach is illustrated with the description of a new paradigm based on an original virtual card game in which subjects interpret emotional displays from a female virtual agent, and decipher her helping intentions. Independent variables concerning emotional expression in terms of valence and intensity were manipulated. We show how several useful dependant variables, ranging from classic experimental psychology data to metacognition or subjective experiences records, may be extracted from a single experiment. Methodological issues about the immersion into a simulated intersubjective situation are considered. The example of this new flexible experimental setting, with regards to the many constructs recognized in social neurosciences, constitutes a rationale for focusing on this potential intermediate link between standardized tests and real-life functioning, and also for using it as an innovative media for cognitive remediation.

Validating agent based models through virtual worlds.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lakkaraju, Kiran; Whetzel, Jonathan H.; Lee, Jina

As the US continues its vigilance against distributed, embedded threats, understanding the political and social structure of these groups becomes paramount for predicting and dis- rupting their attacks. Agent-based models (ABMs) serve as a powerful tool to study these groups. While the popularity of social network tools (e.g., Facebook, Twitter) has provided extensive communication data, there is a lack of ne-grained behavioral data with which to inform and validate existing ABMs. Virtual worlds, in particular massively multiplayer online games (MMOG), where large numbers of people interact within a complex environ- ment for long periods of time provide an alternative sourcemore » of data. These environments provide a rich social environment where players engage in a variety of activities observed between real-world groups: collaborating and/or competing with other groups, conducting battles for scarce resources, and trading in a market economy. Strategies employed by player groups surprisingly re ect those seen in present-day con icts, where players use diplomacy or espionage as their means for accomplishing their goals. In this project, we propose to address the need for ne-grained behavioral data by acquiring and analyzing game data a commercial MMOG, referred to within this report as Game X. The goals of this research were: (1) devising toolsets for analyzing virtual world data to better inform the rules that govern a social ABM and (2) exploring how virtual worlds could serve as a source of data to validate ABMs established for analogous real-world phenomena. During this research, we studied certain patterns of group behavior to compliment social modeling e orts where a signi cant lack of detailed examples of observed phenomena exists. This report outlines our work examining group behaviors that underly what we have termed the Expression-To-Action (E2A) problem: determining the changes in social contact that lead individuals/groups to engage in a particular behavior. Results from our work indicate that virtual worlds have the potential for serving as a proxy in allocating and populating behaviors that would be used within further agent-based modeling studies.« less

Behavioral biometrics for verification and recognition of malicious software agents

NASA Astrophysics Data System (ADS)

Yampolskiy, Roman V.; Govindaraju, Venu

2008-04-01

Homeland security requires technologies capable of positive and reliable identification of humans for law enforcement, government, and commercial applications. As artificially intelligent agents improve in their abilities and become a part of our everyday life, the possibility of using such programs for undermining homeland security increases. Virtual assistants, shopping bots, and game playing programs are used daily by millions of people. We propose applying statistical behavior modeling techniques developed by us for recognition of humans to the identification and verification of intelligent and potentially malicious software agents. Our experimental results demonstrate feasibility of such methods for both artificial agent verification and even for recognition purposes.

Robust adaptive fault-tolerant control for leader-follower flocking of uncertain multi-agent systems with actuator failure.

PubMed

Yazdani, Sahar; Haeri, Mohammad

2017-11-01

In this work, we study the flocking problem of multi-agent systems with uncertain dynamics subject to actuator failure and external disturbances. By considering some standard assumptions, we propose a robust adaptive fault tolerant protocol for compensating of the actuator bias fault, the partial loss of actuator effectiveness fault, the model uncertainties, and external disturbances. Under the designed protocol, velocity convergence of agents to that of virtual leader is guaranteed while the connectivity preservation of network and collision avoidance among agents are ensured as well. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

Virtual faces expressing emotions: an initial concomitant and construct validity study.

PubMed

Joyal, Christian C; Jacob, Laurence; Cigna, Marie-Hélène; Guay, Jean-Pierre; Renaud, Patrice

2014-01-01

Facial expressions of emotions represent classic stimuli for the study of social cognition. Developing virtual dynamic facial expressions of emotions, however, would open-up possibilities, both for fundamental and clinical research. For instance, virtual faces allow real-time Human-Computer retroactions between physiological measures and the virtual agent. The goal of this study was to initially assess concomitants and construct validity of a newly developed set of virtual faces expressing six fundamental emotions (happiness, surprise, anger, sadness, fear, and disgust). Recognition rates, facial electromyography (zygomatic major and corrugator supercilii muscles), and regional gaze fixation latencies (eyes and mouth regions) were compared in 41 adult volunteers (20 ♂, 21 ♀) during the presentation of video clips depicting real vs. virtual adults expressing emotions. Emotions expressed by each set of stimuli were similarly recognized, both by men and women. Accordingly, both sets of stimuli elicited similar activation of facial muscles and similar ocular fixation times in eye regions from man and woman participants. Further validation studies can be performed with these virtual faces among clinical populations known to present social cognition difficulties. Brain-Computer Interface studies with feedback-feedforward interactions based on facial emotion expressions can also be conducted with these stimuli.

A Lightweight Intelligent Virtual Cinematography System for Machinima Production

DTIC Science & Technology

2007-01-01

portmanteau of machine and cinema , machinima refers to the innovation of leveraging video game technology to greatly ease the creation of computer...selecting camera angles to capture the action of an a priori unknown script as aesthetically appropriate cinema . There are a number of challenges therein...Proc. of the 4th International Conf. on Autonomous Agents. Young, R.M. and Riedl, M.O. 2003. Towards an Architecture for Intelligent Control of Narrative in Interactive Virtual Worlds. In Proc. of IUI 2003.

The Foreign Policy of Venezuela Toward El Salvador: 1979-1983

DTIC Science & Technology

1990-06-01

vista extra-regional, la "zona vital" es rica en materiales estrat~gicos, tales como el petr6leo, el hierro, y el aluminlo. Adem~s del petr6leo de...nivel de post-grado, en el Area de hidrocarburos para el periodo 1981 / 1982. Ofrecimiento de cooperaci6n en el campo de geologia de uranlo y materiales ...hombre, yo lo conocia, aparte de que era un homnbre muy preparado, muy inteligente , era un fan~tico. *Un fanatico religioso. Yo s6 porque lo digo

Security model for VM in cloud

NASA Astrophysics Data System (ADS)

Kanaparti, Venkataramana; Naveen K., R.; Rajani, S.; Padmvathamma, M.; Anitha, C.

2013-03-01

Cloud computing is a new approach emerged to meet ever-increasing demand for computing resources and to reduce operational costs and Capital Expenditure for IT services. As this new way of computation allows data and applications to be stored away from own corporate server, it brings more issues in security such as virtualization security, distributed computing, application security, identity management, access control and authentication. Even though Virtualization forms the basis for cloud computing it poses many threats in securing cloud. As most of Security threats lies at Virtualization layer in cloud we proposed this new Security Model for Virtual Machine in Cloud (SMVC) in which every process is authenticated by Trusted-Agent (TA) in Hypervisor as well as in VM. Our proposed model is designed to with-stand attacks by unauthorized process that pose threat to applications related to Data Mining, OLAP systems, Image processing which requires huge resources in cloud deployed on one or more VM's.

Exploring Agricultural Livelihood Transitions with an Agent-Based Virtual Laboratory: Global Forces to Local Decision-Making

PubMed Central

Magliocca, Nicholas R.; Brown, Daniel G.; Ellis, Erle C.

2013-01-01

Rural populations are undergoing rapid changes in both their livelihoods and land uses, with associated impacts on ecosystems, global biogeochemistry, and climate change. A primary challenge is, thus, to explain these shifts in terms of the actors and processes operating within a variety of land systems in order to understand how land users might respond locally to future changes in broader-scale environmental and economic conditions. Using ‘induced intensification’ theory as a benchmark, we develop a generalized agent-based model to investigate mechanistic explanations of relationships between agricultural intensity and population density, environmental suitability, and market influence. Land-use and livelihood decisions modeled from basic micro-economic theories generated spatial and temporal patterns of agricultural intensification consistent with predictions of induced intensification theory. Further, agent actions in response to conditions beyond those described by induced intensification theory were explored, revealing that interactions among environmental constraints, population pressure, and market influence may produce transitions to multiple livelihood regimes of varying market integration. The result is new hypotheses that could modify and enrich understanding of the classic relationship between agricultural intensity and population density. The strength of this agent-based model and the experimental results is the generalized form of the decision-making processes underlying land-use and livelihood transitions, creating the prospect of a virtual laboratory for systematically generating hypotheses of how agent decisions and interactions relate to observed land-use and livelihood patterns across diverse land systems. PMID:24039892

The agent-based spatial information semantic grid

NASA Astrophysics Data System (ADS)

Cui, Wei; Zhu, YaQiong; Zhou, Yong; Li, Deren

2006-10-01

Analyzing the characteristic of multi-Agent and geographic Ontology, The concept of the Agent-based Spatial Information Semantic Grid (ASISG) is defined and the architecture of the ASISG is advanced. ASISG is composed with Multi-Agents and geographic Ontology. The Multi-Agent Systems are composed with User Agents, General Ontology Agent, Geo-Agents, Broker Agents, Resource Agents, Spatial Data Analysis Agents, Spatial Data Access Agents, Task Execution Agent and Monitor Agent. The architecture of ASISG have three layers, they are the fabric layer, the grid management layer and the application layer. The fabric layer what is composed with Data Access Agent, Resource Agent and Geo-Agent encapsulates the data of spatial information system so that exhibits a conceptual interface for the Grid management layer. The Grid management layer, which is composed with General Ontology Agent, Task Execution Agent and Monitor Agent and Data Analysis Agent, used a hybrid method to manage all resources that were registered in a General Ontology Agent that is described by a General Ontology System. The hybrid method is assembled by resource dissemination and resource discovery. The resource dissemination push resource from Local Ontology Agent to General Ontology Agent and the resource discovery pull resource from the General Ontology Agent to Local Ontology Agents. The Local Ontology Agent is derived from special domain and describes the semantic information of local GIS. The nature of the Local Ontology Agents can be filtrated to construct a virtual organization what could provides a global scheme. The virtual organization lightens the burdens of guests because they need not search information site by site manually. The application layer what is composed with User Agent, Geo-Agent and Task Execution Agent can apply a corresponding interface to a domain user. The functions that ASISG should provide are: 1) It integrates different spatial information systems on the semantic The Grid management layer establishes a virtual environment that integrates seamlessly all GIS notes. 2) When the resource management system searches data on different spatial information systems, it transfers the meaning of different Local Ontology Agents rather than access data directly. So the ability of search and query can be said to be on the semantic level. 3) The data access procedure is transparent to guests, that is, they could access the information from remote site as current disk because the General Ontology Agent could automatically link data by the Data Agents that link the Ontology concept to GIS data. 4) The capability of processing massive spatial data. Storing, accessing and managing massive spatial data from TB to PB; efficiently analyzing and processing spatial data to produce model, information and knowledge; and providing 3D and multimedia visualization services. 5) The capability of high performance computing and processing on spatial information. Solving spatial problems with high precision, high quality, and on a large scale; and process spatial information in real time or on time, with high-speed and high efficiency. 6) The capability of sharing spatial resources. The distributed heterogeneous spatial information resources are Shared and realizing integrated and inter-operated on semantic level, so as to make best use of spatial information resources,such as computing resources, storage devices, spatial data (integrating from GIS, RS and GPS), spatial applications and services, GIS platforms, 7) The capability of integrating legacy GIS system. A ASISG can not only be used to construct new advanced spatial application systems, but also integrate legacy GIS system, so as to keep extensibility and inheritance and guarantee investment of users. 8) The capability of collaboration. Large-scale spatial information applications and services always involve different departments in different geographic places, so remote and uniform services are needed. 9) The capability of supporting integration of heterogeneous systems. Large-scale spatial information systems are always synthetically applications, so ASISG should provide interoperation and consistency through adopting open and applied technology standards. 10) The capability of adapting dynamic changes. Business requirements, application patterns, management strategies, and IT products always change endlessly for any departments, so ASISG should be self-adaptive. Two examples are provided in this paper, those examples provide a detailed way on how you design your semantic grid based on Multi-Agent systems and Ontology. In conclusion, the semantic grid of spatial information system could improve the ability of the integration and interoperability of spatial information grid.

RoboCup-Rescue: an international cooperative research project of robotics and AI for the disaster mitigation problem

NASA Astrophysics Data System (ADS)

Tadokoro, Satoshi; Kitano, Hiroaki; Takahashi, Tomoichi; Noda, Itsuki; Matsubara, Hitoshi; Shinjoh, Atsushi; Koto, Tetsuo; Takeuchi, Ikuo; Takahashi, Hironao; Matsuno, Fumitoshi; Hatayama, Mitsunori; Nobe, Jun; Shimada, Susumu

2000-07-01

This paper introduces the RoboCup-Rescue Simulation Project, a contribution to the disaster mitigation, search and rescue problem. A comprehensive urban disaster simulator is constructed on distributed computers. Heterogeneous intelligent agents such as fire fighters, victims and volunteers conduct search and rescue activities in this virtual disaster world. A real world interface integrates various sensor systems and controllers of infrastructures in the real cities with the real world. Real-time simulation is synchronized with actual disasters, computing complex relationship between various damage factors and agent behaviors. A mission-critical man-machine interface provides portability and robustness of disaster mitigation centers, and augmented-reality interfaces for rescue in real disasters. It also provides a virtual- reality training function for the public. This diverse spectrum of RoboCup-Rescue contributes to the creation of the safer social system.

A Participatory Agent-Based Simulation for Indoor Evacuation Supported by Google Glass.

PubMed

Sánchez, Jesús M; Carrera, Álvaro; Iglesias, Carlos Á; Serrano, Emilio

2016-08-24

Indoor evacuation systems are needed for rescue and safety management. One of the challenges is to provide users with personalized evacuation routes in real time. To this end, this project aims at exploring the possibilities of Google Glass technology for participatory multiagent indoor evacuation simulations. Participatory multiagent simulation combines scenario-guided agents and humans equipped with Google Glass that coexist in a shared virtual space and jointly perform simulations. The paper proposes an architecture for participatory multiagent simulation in order to combine devices (Google Glass and/or smartphones) with an agent-based social simulator and indoor tracking services.

Coordination of heterogeneous nonlinear multi-agent systems with prescribed behaviours

NASA Astrophysics Data System (ADS)

Tang, Yutao

2017-10-01

In this paper, we consider a coordination problem for a class of heterogeneous nonlinear multi-agent systems with a prescribed input-output behaviour which was represented by another input-driven system. In contrast to most existing multi-agent coordination results with an autonomous (virtual) leader, this formulation takes possible control inputs of the leader into consideration. First, the coordination was achieved by utilising a group of distributed observers based on conventional assumptions of model matching problem. Then, a fully distributed adaptive extension was proposed without using the input of this input-output behaviour. An example was given to verify their effectiveness.

Interaction and Communication of Agents in Networks and Language Complexity Estimates

NASA Technical Reports Server (NTRS)

Smid, Jan; Obitko, Marek; Fisher, David; Truszkowski, Walt

2004-01-01

Knowledge acquisition and sharing are arguably the most critical activities of communicating agents. We report about our on-going project featuring knowledge acquisition and sharing among communicating agents embedded in a network. The applications we target range from hardware robots to virtual entities such as internet agents. Agent experiments can be simulated using a convenient simulation language. We analyzed the complexity of communicating agent simulations using Java and Easel. Scenarios we have studied are listed below. The communication among agents can range from declarative queries to sub-natural language queries. 1) A set of agents monitoring an object are asked to build activity profiles based on exchanging elementary observations; 2) A set of car drivers form a line, where every car is following its predecessor. An unsafe distance cm create a strong wave in the line. Individual agents are asked to incorporate and apply directions how to avoid the wave. 3) A set of micro-vehicles form a grid and are asked to propagate information and concepts to a central server.

Foreign language learning in immersive virtual environments

NASA Astrophysics Data System (ADS)

Chang, Benjamin; Sheldon, Lee; Si, Mei; Hand, Anton

2012-03-01

Virtual reality has long been used for training simulations in fields from medicine to welding to vehicular operation, but simulations involving more complex cognitive skills present new design challenges. Foreign language learning, for example, is increasingly vital in the global economy, but computer-assisted education is still in its early stages. Immersive virtual reality is a promising avenue for language learning as a way of dynamically creating believable scenes for conversational training and role-play simulation. Visual immersion alone, however, only provides a starting point. We suggest that the addition of social interactions and motivated engagement through narrative gameplay can lead to truly effective language learning in virtual environments. In this paper, we describe the development of a novel application for teaching Mandarin using CAVE-like VR, physical props, human actors and intelligent virtual agents, all within a semester-long multiplayer mystery game. Students travel (virtually) to China on a class field trip, which soon becomes complicated with intrigue and mystery surrounding the lost manuscript of an early Chinese literary classic. Virtual reality environments such as the Forbidden City and a Beijing teahouse provide the setting for learning language, cultural traditions, and social customs, as well as the discovery of clues through conversation in Mandarin with characters in the game.

Emerging CAE technologies and their role in Future Ambient Intelligence Environments

NASA Astrophysics Data System (ADS)

Noor, Ahmed K.

2011-03-01

Dramatic improvements are on the horizon in Computer Aided Engineering (CAE) and various simulation technologies. The improvements are due, in part, to the developments in a number of leading-edge technologies and their synergistic combinations/convergence. The technologies include ubiquitous, cloud, and petascale computing; ultra high-bandwidth networks, pervasive wireless communication; knowledge based engineering; networked immersive virtual environments and virtual worlds; novel human-computer interfaces; and powerful game engines and facilities. This paper describes the frontiers and emerging simulation technologies, and their role in the future virtual product creation and learning/training environments. The environments will be ambient intelligence environments, incorporating a synergistic combination of novel agent-supported visual simulations (with cognitive learning and understanding abilities); immersive 3D virtual world facilities; development chain management systems and facilities (incorporating a synergistic combination of intelligent engineering and management tools); nontraditional methods; intelligent, multimodal and human-like interfaces; and mobile wireless devices. The Virtual product creation environment will significantly enhance the productivity and will stimulate creativity and innovation in future global virtual collaborative enterprises. The facilities in the learning/training environment will provide timely, engaging, personalized/collaborative and tailored visual learning.

Enabling virtual screening of potent and safer antimicrobial agents against noma: mtk-QSBER model for simultaneous prediction of antibacterial activities and ADMET properties.

PubMed

Speck-Planche, Alejandro; Cordeiro, M N D S

2015-01-01

Neglected diseases are infections that thrive mainly among underdeveloped countries, particularly those belonging to regions found in Asia, Africa, and America. One of the most complex diseases is noma, a dangerous health condition characterized by a polymicrobial and opportunistic nature. The search for potent and safer antibacterial agents against this disease is therefore a goal of particular interest. Chemoinformatics can be used to rationalize the discovery of drug candidates, diminishing time and financial resources. However, in the case of noma, there is no in silico model available for its use in the discovery of efficacious antibacterial agents. This work is devoted to report the first mtk-QSBER model, which integrates dissimilar kinds of chemical and biological data. The model was generated with the aim of simultaneously predicting activity against bacteria present in noma, and ADMET (absorption, distribution, metabolism, elimination, toxicity) parameters. The mtk-QSBER model was constructed by employing a large and heterogeneous dataset of chemicals and displayed accuracies higher than 90% in both training and prediction sets. We confirmed the practical applicability of the model by predicting multiple profiles of the investigational antibacterial drug delafloxacin, and the predictions converged with the experimental reports. To date, this is the first model focused on the virtual search for desirable anti-noma agents.

Probing voltage sensing domain of KCNQ2 channel as a potential target to combat epilepsy: a comparative study.

PubMed

Mehta, Pakhuri; Srivastava, Shubham; Choudhary, Bhanwar Singh; Sharma, Manish; Malik, Ruchi

2017-12-01

Multidrug resistance along with side-effects of available anti-epileptic drugs and unavailability of potent and effective agents in submicromolar quantities presents the biggest therapeutic challenges in anti-epileptic drug discovery. The molecular modeling techniques allow us to identify agents with novel structures to match the continuous urge for its discovery. KCNQ2 channel represents one of the validated targets for its therapy. The present study involves identification of newer anti-epileptic agents by means of a computer-aided drug design adaptive protocol involving both structure-based virtual screening of Asinex library using homology model of KCNQ2 and 3D-QSAR based virtual screening with docking analysis, followed by dG bind and ligand efficiency calculations with ADMET studies, of which 20 hits qualified all the criterions. The best ligands of both screenings with least potential for toxicity predicted computationally were then taken for molecular dynamic simulations. All the crucial amino acid interactions were observed in hits of both screenings such as Glu130, Arg207, Arg210 and Phe137. Robustness of docking protocol was analyzed through Receiver operating characteristic (ROC) curve values 0.88 (Area under curve AUC = 0.87) in Standard Precision and 0.84 (AUC = 0.82) in Extra Precision modes. Novelty analysis indicates that these compounds have not been reported previously as anti-epileptic agents.

Simulation and virtual reality in medical education and therapy: a protocol.

PubMed

Roy, Michael J; Sticha, Deborah L; Kraus, Patricia L; Olsen, Dale E

2006-04-01

Continuing medical education has historically been provided primarily by didactic lectures, though adult learners prefer experiential or self-directed learning. Young physicians have extensive experience with computer-based or "video" games, priming them for medical education--and treating their patients--via new technologies. We report our use of standardized patients (SPs) to educate physicians on the diagnosis and treatment of biological and chemical warfare agent exposure. We trained professional actors to serve as SPs representing exposure to biological agents such as anthrax and smallpox. We rotated workshop participants through teaching stations to interview, examine, diagnose and treat SPs. We also trained SPs to simulate a chemical mass casualty (MASCAL) incident. Workshop participants worked together to treat MASCAL victims, followed by discussion of key teaching points. More recently, we developed computer-based simulation (CBS) modules of patients exposed to biological agents. We compare the strengths and weaknesses of CBS vs. live SPs. Finally, we detail plans for a randomized controlled trial to assess the efficacy of virtual reality (VR) exposure therapy compared to pharmacotherapy for post-traumatic stress disorder (PTSD). PTSD is associated with significant disability and healthcare costs, which may be ameliorated by the identification of more effective therapy.

Screening and identification of novel compounds with potential anti-proliferative effects on gallium-resistant lung cancer through an AXL kinase pathway.

PubMed

Oyewumi, Moses O; Alazizi, Adnan; Liva, Sophia; Lin, Li; Geldenhuys, Werner J

2014-09-15

The clinical application of gallium compounds as anticancer agents is hampered by development of resistance. As a potential strategy to overcome the limitation, eight series of compounds were identified through virtual screening of AXL kinase homology model. Anti-proliferative studies were carried using gallium-sensitive (S) and gallium-resistant (R) human lung adenocarcinoma (A549) cells. Compounds 5476423 and 7919469 were identified as leads. The IC50 values from treating R-cells showed compounds 5476423 and 7919469 had 80 fold and 13 fold increased potency, respectively, compared to gallium acetylacetonate (GaAcAc). The efficacy of GaAcAc against R-cells was increased 2 fold and 1.2 fold when combined with compounds 5476423 and 7919469, respectively. Compared with S-cells, R-cells showed elevated expression of AXL protein, which was significantly suppressed through treatments with the lead compounds. It is anticipated that the lead compounds could be applied in virtual screening programs to identify novel scaffolds for new therapeutic agents as well as combinatorial therapy agents in gallium resistant lung cancer. Copyright © 2014 Elsevier Ltd. All rights reserved.

Interactions with Virtual People: Do Avatars Dream of Digital Sheep?. Chapter 6

NASA Technical Reports Server (NTRS)

Slater, Mel; Sanchez-Vives, Maria V.

2007-01-01

This paper explores another form of artificial entity, ones without physical embodiment. We refer to virtual characters as the name for a type of interactive object that have become familiar in computer games and within virtual reality applications. We refer to these as avatars: three-dimensional graphical objects that are in more-or-less human form which can interact with humans. Sometimes such avatars will be representations of real-humans who are interacting together within a shared networked virtual environment, other times the representations will be of entirely computer generated characters. Unlike other authors, who reserve the term agent for entirely computer generated characters and avatars for virtual embodiments of real people; the same term here is used for both. This is because avatars and agents are on a continuum. The question is where does their behaviour originate? At the extremes the behaviour is either completely computer generated or comes only from tracking of a real person. However, not every aspect of a real person can be tracked every eyebrow move, every blink, every breath rather real tracking data would be supplemented by inferred behaviours which are programmed based on the available information as to what the real human is doing and her/his underlying emotional and psychological state. Hence there is always some programmed behaviour it is only a matter of how much. In any case the same underlying problem remains how can the human character be portrayed in such a manner that its actions are believable and have an impact on the real people with whom it interacts? This paper has three main parts. In the first part we will review some evidence that suggests that humans react with appropriate affect in their interactions with virtual human characters, or with other humans who are represented as avatars. This is so in spite of the fact that the representational fidelity is relatively low. Our evidence will be from the realm of psychotherapy, where virtual social situations are created that do test whether people react appropriately within these situations. We will also consider some experiments on face-to-face virtual communications between people in the same shared virtual environments. The second part will try to give some clues about why this might happen, taking into account modern theories of perception from neuroscience. The third part will include some speculations about the future developments of the relationship between people and virtual people. We will suggest that a more likely scenario than the world becoming populated by physically embodied virtual people (robots, androids) is that in the relatively near future we will interact more and more in our everyday lives with virtual people- bank managers, shop assistants, instructors, and so on. What is happening in the movies with computer graphic generated individuals and entire crowds may move into the space of everyday life.

Distributed collaborative environments for virtual capability-based planning

NASA Astrophysics Data System (ADS)

McQuay, William K.

2003-09-01

Distributed collaboration is an emerging technology that will significantly change how decisions are made in the 21st century. Collaboration involves two or more geographically dispersed individuals working together to share and exchange data, information, knowledge, and actions. The marriage of information, collaboration, and simulation technologies provides the decision maker with a collaborative virtual environment for planning and decision support. This paper reviews research that is focusing on the applying open standards agent-based framework with integrated modeling and simulation to a new Air Force initiative in capability-based planning and the ability to implement it in a distributed virtual environment. Virtual Capability Planning effort will provide decision-quality knowledge for Air Force resource allocation and investment planning including examining proposed capabilities and cost of alternative approaches, the impact of technologies, identification of primary risk drivers, and creation of executable acquisition strategies. The transformed Air Force business processes are enabled by iterative use of constructive and virtual modeling, simulation, and analysis together with information technology. These tools are applied collaboratively via a technical framework by all the affected stakeholders - warfighter, laboratory, product center, logistics center, test center, and primary contractor.

A Distributed Multi-Agent System for Collaborative Information Management and Learning

NASA Technical Reports Server (NTRS)

Chen, James R.; Wolfe, Shawn R.; Wragg, Stephen D.; Koga, Dennis (Technical Monitor)

2000-01-01

In this paper, we present DIAMS, a system of distributed, collaborative agents to help users access, manage, share and exchange information. A DIAMS personal agent helps its owner find information most relevant to current needs. It provides tools and utilities for users to manage their information repositories with dynamic organization and virtual views. Flexible hierarchical display is integrated with indexed query search-to support effective information access. Automatic indexing methods are employed to support user queries and communication between agents. Contents of a repository are kept in object-oriented storage to facilitate information sharing. Collaboration between users is aided by easy sharing utilities as well as automated information exchange. Matchmaker agents are designed to establish connections between users with similar interests and expertise. DIAMS agents provide needed services for users to share and learn information from one another on the World Wide Web.

Exploration of multiple Sortase A protein conformations in virtual screening

NASA Astrophysics Data System (ADS)

Gao, Chunxia; Uzelac, Ivana; Gottfries, Johan; Eriksson, Leif A.

2016-02-01

Methicillin resistant Staphylococcus aureus (MRSA) has become a major health concern which has brought about an urgent need for new therapeutic agents. As the S. aureus Sortase A (SrtA) enzyme contributes to the adherence of the bacteria to the host cells, inhibition thereof by small molecules could be employed as potential antivirulence agents, also towards resistant strains. Albeit several virtual docking SrtA campaigns have been reported, no strongly inhibitatory non-covalent binders have as yet emerged therefrom. In order to better understand the binding modes of small molecules, and the effect of different receptor structures employed in the screening, we herein report on an exploratory study employing 10 known binders and 500 decoys on 100 SrtA structures generated from regular or steered molecular dynamics simulations on four different SrtA crystal/NMR structures. The results suggest a correlation between the protein structural flexibility and the virtual screening performance, and confirm the noted immobilization of the β6/β7 loop upon substrate binding. The NMR structures reported appear to perform slightly better than the Xray-crystal structures, but the binding modes fluctuate tremendously, and it might be suspected that the catalytic site is not necessarily the preferred site of binding for some of the reported active compounds.

Exploration of multiple Sortase A protein conformations in virtual screening

PubMed Central

Gao, Chunxia; Uzelac, Ivana; Gottfries, Johan; Eriksson, Leif A.

2016-01-01

Methicillin resistant Staphylococcus aureus (MRSA) has become a major health concern which has brought about an urgent need for new therapeutic agents. As the S. aureus Sortase A (SrtA) enzyme contributes to the adherence of the bacteria to the host cells, inhibition thereof by small molecules could be employed as potential antivirulence agents, also towards resistant strains. Albeit several virtual docking SrtA campaigns have been reported, no strongly inhibitatory non-covalent binders have as yet emerged therefrom. In order to better understand the binding modes of small molecules, and the effect of different receptor structures employed in the screening, we herein report on an exploratory study employing 10 known binders and 500 decoys on 100 SrtA structures generated from regular or steered molecular dynamics simulations on four different SrtA crystal/NMR structures. The results suggest a correlation between the protein structural flexibility and the virtual screening performance, and confirm the noted immobilization of the β6/β7 loop upon substrate binding. The NMR structures reported appear to perform slightly better than the Xray-crystal structures, but the binding modes fluctuate tremendously, and it might be suspected that the catalytic site is not necessarily the preferred site of binding for some of the reported active compounds. PMID:26846342

Minority game and anomalies in financial markets

NASA Astrophysics Data System (ADS)

Liu, Xinghua; Liang, Xiaobei; Tang, Bingyong

2004-02-01

The minority game (MG), which is intrinsically associated with financial markets, is an agent-based model of a competing population with limited resources. We find that the fluctuation features of MG in crowded region are more similar to real market than that of in perfect cooperation region. So we propose and study a modified model based on the MG in which agents accumulate virtual points for their strategies from the last H steps instead of from the beginning of the game. The results of numerical simulations on our new model show that agents will be more intelligent, and the types of features of fluctuations are the same in real-world market. We also give a numerical explanation of the high adaptability of agents in new model.

Access Scheme for Controlling Mobile Agents and its Application to Share Medical Information.

PubMed

Liao, Yu-Ting; Chen, Tzer-Shyong; Chen, Tzer-Long; Chung, Yu-Fang; Chen, Yu- Xin; Hwang, Jen-Hung; Wang, Huihui; Wei, Wei

2016-05-01

This study is showing the advantage of mobile agents to conquer heterogeneous system environments and contribute to a virtual integrated sharing system. Mobile agents will collect medical information from each medical institution as a method to achieve the medical purpose of data sharing. Besides, this research also provides an access control and key management mechanism by adopting Public key cryptography and Lagrange interpolation. The safety analysis of the system is based on a network attacker's perspective. The achievement of this study tries to improve the medical quality, prevent wasting medical resources and make medical resources access to appropriate configuration.

A Participatory Agent-Based Simulation for Indoor Evacuation Supported by Google Glass

PubMed Central

Sánchez, Jesús M.; Carrera, Álvaro; Iglesias, Carlos Á.; Serrano, Emilio

2016-01-01

Indoor evacuation systems are needed for rescue and safety management. One of the challenges is to provide users with personalized evacuation routes in real time. To this end, this project aims at exploring the possibilities of Google Glass technology for participatory multiagent indoor evacuation simulations. Participatory multiagent simulation combines scenario-guided agents and humans equipped with Google Glass that coexist in a shared virtual space and jointly perform simulations. The paper proposes an architecture for participatory multiagent simulation in order to combine devices (Google Glass and/or smartphones) with an agent-based social simulator and indoor tracking services. PMID:27563911

A Three Pronged Approach for Improved Data Understanding: 3-D Visualization, Use of Gaming Techniques, and Intelligent Advisory Agents

DTIC Science & Technology

2006-10-01

Pronged Approach for Improved Data Understanding: 3-D Visualization, Use of Gaming Techniques, and Intelligent Advisory Agents. In Visualising Network...University at the start of each fall semester, when numerous new students arrive on campus and begin downloading extensive amounts of audio and...SIGGRAPH ’92 • C. Cruz-Neira, D.J. Sandin, T.A. DeFanti, R.V. Kenyon and J.C. Hart, "The CAVE: Audio Visual Experience Automatic Virtual Environment

Virtual Embryo: Cell-Agent Based Modeling of Developmental Processes and Toxicities (CSS BOSC)

EPA Science Inventory

Spatial regulation of cellular dynamics is fundamental to morphological development. As such, chemical disruption of spatial dynamics is a determinant of developmental toxicity. Incorporating spatial dynamics into AOPs for developmental toxicity is desired but constrained by the ...

Virtual reality as a tool for cross-cultural communication: an example from military team training

NASA Astrophysics Data System (ADS)

Downes-Martin, Stephen; Long, Mark; Alexander, Joanna R.

1992-06-01

A major problem with communication across cultures, whether professional or national, is that simple language translation if often insufficient to communicate the concepts. This is especially true when the communicators come from highly specialized fields of knowledge or from national cultures with long histories of divergence. This problem becomes critical when the goal of the communication is national negotiation dealing with such high risk items as arms negotiation or trade wars. Virtual Reality technology has considerable potential for facilitating communication across cultures, by immersing the communicators within multiple visual representations of the concepts, and providing control over those representations. Military distributed team training provides a model for virtual reality suitable for cross cultural communication such as negotiation. In both team training and negotiation, the participants must cooperate, agree on a set of goals, and achieve mastery over the concepts being negotiated. Team training technologies suitable for supporting cross cultural negotiation exist (branch wargaming, computer image generation and visualization, distributed simulation), and have developed along different lines than traditional virtual reality technology. Team training de-emphasizes the realism of physiological interfaces between the human and the virtual reality, and emphasizes the interaction of humans with each other and with intelligent simulated agents within the virtual reality. This approach to virtual reality is suggested as being more fruitful for future work.

Virtual Doppelgangers: Psychological Effects of Avatars Who Ignore Their Owners

NASA Astrophysics Data System (ADS)

Bailenson, Jeremy N.; Segovia, Kathryn Y.

For a decade, the Virtual Human Interaction Lab has been creating doppelgangers, virtual versions of the self, for research purposes. This chapter considers how humans may be affected by confrontation with virtual versions of themselves, on the basis of well-established psychological theories, including social cognitive theory (social learning theory), media richness theory (information richness theory), and self-perception theory. Experiments carried out in the Lab, and informed by these theories, have explored such notable topics as health communication, marketing, and false memories. The findings of one series of studies suggest that doppelgangerscan show the rewards of exercise and proper eating habits, changing people's health-related behavior as a result. Other studies showed that doppelgangers are powerful marketing agents and can be used in advertisements to create favorable brand impressions among consumers. Other research documented that children have difficulty in distinguishing between an actual memory elicited by a physical world event and a false memory elicited by mental image or doppelganger.

ICCE/ICCAI 2000 Full & Short Papers (Creative Learning).

ERIC Educational Resources Information Center

2000

This document contains the following full and short papers on creative learning from ICCE/ICCAI 2000 (International Conference on Computers in Education/International Conference on Computer-Assisted Instruction): (1) "A Collaborative Learning Support System Based on Virtual Environment Server for Multiple Agents" (Takashi Ohno, Kenji…

Beyond Information Retrieval: Ways To Provide Content in Context.

ERIC Educational Resources Information Center

Wiley, Deborah Lynne

1998-01-01

Provides an overview of information retrieval from mainframe systems to Web search engines; discusses collaborative filtering, data extraction, data visualization, agent technology, pattern recognition, classification and clustering, and virtual communities. Argues that rather than huge data-storage centers and proprietary software, we need…

Framsticks

NASA Astrophysics Data System (ADS)

Komosinski, Maciej; Ulatowski, Szymon

Life is one of the most complex phenomena known in our world. Researchers construct various models of life that serve diverse purposes and are applied in a wide range of areas — from medicine to entertainment. A part of artificial life research focuses on designing three-dimensional (3D) models of life-forms, which are obviously appealing to observers because the world we live in is three dimensional. Thus, we can easily understand behaviors demonstrated by virtual individuals, study behavioral changes during simulated evolution, analyze dependencies between groups of creatures, and so forth. However, 3D models of life-forms are not only attractive because of their resemblance to the real-world organisms. Simulating 3D agents has practical implications: If the simulation is accurate enough, then real robots can be built based on the simulation, as in [22]. Agents can be designed, tested, and optimized in a virtual environment, and the best ones can be constructed as real robots with embedded control systems. This way artificial intelligence algorithms can be “embodied” in the 3D mechanical constructs.

Changing crops in response to climate: virtual Nang Rong, Thailand in an agent based simulation

PubMed Central

Malanson, George P.; Verdery, Ashton M.; Walsh, Stephen J.; Sawangdee, Yothin; Heumann, Benjamin W.; McDaniel, Philip M.; Frizzelle, Brian G.; Williams, Nathalie E.; Yao, Xiaozheng; Entwisle, Barbara; Rindfuss, Ronald R.

2014-01-01

The effects of extended climatic variability on agricultural land use were explored for the type of system found in villages of northeastern Thailand. An agent based model developed for the Nang Rong district was used to simulate land allotted to jasmine rice, heavy rice, cassava, and sugar cane. The land use choices in the model depended on likely economic outcomes, but included elements of bounded rationality in dependence on household demography. The socioeconomic dynamics are endogenous in the system, and climate changes were added as exogenous drivers. Villages changed their agricultural effort in many different ways. Most villages reduced the amount of land under cultivation, primarily with reduction in jasmine rice, but others did not. The variation in responses to climate change indicates potential sensitivity to initial conditions and path dependence for this type of system. The differences between our virtual villages and the real villages of the region indicate effects of bounded rationality and limits on model applications. PMID:25061240

Cost-effective imprinting combining macromolecular crowding and a dummy template for the fast purification of punicalagin from pomegranate husk extract.

PubMed

Sun, Guang-Ying; Wang, Chao; Luo, Yu-Qin; Zhao, Yong-Xin; Yang, Jian; Liu, Zhao-Sheng; Aisa, Haji Akber

2016-05-01

The combination of molecular crowding and virtual imprinting was employed to develop a cost-effective method to prepare molecularly imprinted polymers. By using linear polymer polystyrene as a macromolecular crowding agent, an imprinted polymer recognizable to punicalagin had been successfully synthesized with punicalin as the dummy template. The resulting punicalin-imprinted polymer presented a remarkable selectivity to punicalagin with an imprinting factor of 3.17 even at extremely low consumption of the template (template/monomer ratio of 1:782). In contrast, the imprinted polymer synthesized without crowding agent, did not show any imprinting effect at so low template amount. The imprinted polymers made by combination of molecular crowding and virtual imprinting can be utilized for the fast separation of punicalagin from pomegranate husk extract after optimizing the protocol of solid-phase extraction with the recovery of 85.3 ± 1.2%. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Collective navigation of cargo-carrying swarms

PubMed Central

Shklarsh, Adi; Finkelshtein, Alin; Ariel, Gil; Kalisman, Oren; Ingham, Colin; Ben-Jacob, Eshel

2012-01-01

Much effort has been devoted to the study of swarming and collective navigation of micro-organisms, insects, fish, birds and other organisms, as well as multi-agent simulations and to the study of real robots. It is well known that insect swarms can carry cargo. The studies here are motivated by a less well-known phenomenon: cargo transport by bacteria swarms. We begin with a concise review of how bacteria swarms carry natural, micrometre-scale objects larger than the bacteria (e.g. fungal spores) as well as man-made beads and capsules (for drug delivery). A comparison of the trajectories of virtual beads in simulations (using different putative coupling between the virtual beads and the bacteria) with the observed trajectories of transported fungal spores implies the existence of adaptable coupling. Motivated by these observations, we devised new, multi-agent-based studies of cargo transport by agent swarms. As a first step, we extended previous modelling of collective navigation of simple bacteria-inspired agents in complex terrain, using three putative models of agent–cargo coupling. We found that cargo-carrying swarms can navigate efficiently in a complex landscape. We further investigated how the stability, elasticity and other features of agent–cargo bonds influence the collective motion and the transport of the cargo, and found sharp phase shifts and dual successful strategies for cargo delivery. Further understanding of such mechanisms may provide valuable clues to understand cargo-transport by smart swarms of other organisms as well as by man-made swarming robots. PMID:24312731

Modeling Being "Lost": Imperfect Situation Awareness

NASA Technical Reports Server (NTRS)

Middleton, Victor E.

2011-01-01

Being "lost" is an exemplar of imperfect Situation Awareness/Situation Understanding (SA/SU) -- information/knowledge that is uncertain, incomplete, and/or just wrong. Being "lost" may be a geo-spatial condition - not knowing/being wrong about where to go or how to get there. More broadly, being "lost" can serve as a metaphor for uncertainty and/or inaccuracy - not knowing/being wrong about how one fits into a larger world view, what one wants to do, or how to do it. This paper discusses using agent based modeling (ABM) to explore imperfect SA/SU, simulating geo-spatially "lost" intelligent agents trying to navigate in a virtual world. Each agent has a unique "mental map" -- its idiosyncratic view of its geo-spatial environment. Its decisions are based on this idiosyncratic view, but behavior outcomes are based on ground truth. Consequently, the rate and degree to which an agent's expectations diverge from ground truth provide measures of that agent's SA/SU.

Objective structured clinical interview training using a virtual human patient.

PubMed

Parsons, Thomas D; Kenny, Patrick; Ntuen, Celestine A; Pataki, Caroly S; Pato, Michele T; Rizzo, Albert A; St-George, Cheryl; Sugar, Jeffery

2008-01-01

Effective interview skills are a core competency for psychiatry residents and developing psychotherapists. Although schools commonly make use of standardized patients to teach interview skills, the diversity of the scenarios standardized patients can characterize is limited by availability of human actors. Further, there is the economic concern related to the time and money needed to train standardized patients. Perhaps most damaging is the "standardization" of standardized patients -- will they in fact consistently proffer psychometrically reliable and valid interactions with the training clinicians. Virtual Human Agent (VHA) technology has evolved to a point where researchers may begin developing mental health applications that make use of virtual reality patients. The work presented here is a preliminary attempt at what we believe to be a large application area. Herein we describe an ongoing study of our virtual patients (VP). We present an approach that allows novice mental health clinicians to conduct an interview with a virtual character that emulates an adolescent male with conduct disorder. This study illustrates the ways in which a variety of core research components developed at the University of Southern California facilitates the rapid development of mental health applications.

Virtual bargaining: a theory of social decision-making.

PubMed

Misyak, Jennifer B; Chater, Nick

2014-11-05

An essential element of goal-directed decision-making in social contexts is that agents' actions may be mutually interdependent. However, the most well-developed approaches to such strategic interactions, based on the Nash equilibrium concept in game theory, are sometimes too broad and at other times 'overlook' good solutions to fundamental social dilemmas and coordination problems. The authors propose a new theory of social decision-making-virtual bargaining-in which individuals decide among a set of moves on the basis of what they would agree to do if they could openly bargain. The core principles of a formal account are outlined (vis-à-vis the notions of 'feasible agreement' and explicit negotiation) and further illustrated with the introduction of a new game, dubbed the 'Boobytrap game' (a modification on the canonical Prisoner's Dilemma paradigm). In the first empirical data of how individuals play the Boobytrap game, participants' experimental choices accord well with a virtual bargaining perspective, but do not match predictions from a standard Nash account. Alternative frameworks are discussed, with specific empirical tests between these and virtual bargaining identified as future research directions. Lastly, it is proposed that virtual bargaining underpins a vast range of human activities, from social decision-making to joint action and communication.

High-contrast X-ray micro-radiography and micro-CT of ex-vivo soft tissue murine organs utilizing ethanol fixation and large area photon-counting detector

PubMed Central

Dudak, Jan; Zemlicka, Jan; Karch, Jakub; Patzelt, Matej; Mrzilkova, Jana; Zach, Petr; Hermanova, Zuzana; Kvacek, Jiri; Krejci, Frantisek

2016-01-01

Using dedicated contrast agents high-quality X-ray imaging of soft tissue structures with isotropic micrometre resolution has become feasible. This technique is frequently titled as virtual histology as it allows production of slices of tissue without destroying the sample. The use of contrast agents is, however, often an irreversible time-consuming procedure and despite the non-destructive principle of X-ray imaging, the sample is usually no longer usable for other research methods. In this work we present the application of recently developed large-area photon counting detector for high resolution X-ray micro-radiography and micro-tomography of whole ex-vivo ethanol-preserved mouse organs. The photon counting detectors provide dark-current-free quantum-counting operation enabling acquisition of data with virtually unlimited contrast-to-noise ratio (CNR). Thanks to the very high CNR even ethanol-only preserved soft-tissue samples without addition of any contrast agent can be visualized in great detail. As ethanol preservation is one of the standard steps of tissue fixation for histology, the presented method can open a way for widespread use of micro-CT with all its advantages for routine 3D non-destructive soft-tissue visualisation. PMID:27461900

Virtual Reality for Artificial Intelligence: human-centered simulation for social science.

PubMed

Cipresso, Pietro; Riva, Giuseppe

2015-01-01

There is a long last tradition in Artificial Intelligence as use of Robots endowing human peculiarities, from a cognitive and emotional point of view, and not only in shape. Today Artificial Intelligence is more oriented to several form of collective intelligence, also building robot simulators (hardware or software) to deeply understand collective behaviors in human beings and society as a whole. Modeling has also been crucial in the social sciences, to understand how complex systems can arise from simple rules. However, while engineers' simulations can be performed in the physical world using robots, for social scientist this is impossible. For decades, researchers tried to improve simulations by endowing artificial agents with simple and complex rules that emulated human behavior also by using artificial intelligence (AI). To include human beings and their real intelligence within artificial societies is now the big challenge. We present an hybrid (human-artificial) platform where experiments can be performed by simulated artificial worlds in the following manner: 1) agents' behaviors are regulated by the behaviors shown in Virtual Reality involving real human beings exposed to specific situations to simulate, and 2) technology transfers these rules into the artificial world. These form a closed-loop of real behaviors inserted into artificial agents, which can be used to study real society.

Evidence that explains absence of a latent period for Xylella fastidiosa in its sharpshooter vectors

USDA-ARS?s Scientific Manuscript database

The glassy-winged sharpshooter (GWSS), Homalodisca vitripennis (Germar), and other sharpshooter (Cicadelline) leafhoppers transmit Xylella fastidiosa (Xf), the causative agent of Pierce’s disease of grapevine and other scorch diseases. Past research has supported that vectors have virtually no late...

Virtual tissues in toxicology.

PubMed

Shah, Imran; Wambaugh, John

2010-02-01

New approaches are vital for efficiently evaluating human health risk of thousands of chemicals in commerce. In vitro models offer a high-throughput approach for assaying chemical-induced molecular and cellular changes; however, bridging these perturbations to in vivo effects across chemicals, dose, time, and species remains challenging. Technological advances in multiresolution imaging and multiscale simulation are making it feasible to reconstruct tissues in silico. In toxicology, these "virtual" tissues (VT) aim to predict histopathological outcomes from alterations of cellular phenotypes that are controlled by chemical-induced perturbations in molecular pathways. The behaviors of thousands of heterogeneous cells in tissues are simulated discretely using agent-based modeling (ABM), in which computational "agents" mimic cell interactions and cellular responses to the microenvironment. The behavior of agents is constrained by physical laws and biological rules derived from experimental evidence. VT extend compartmental physiologic models to simulate both acute insults as well as the chronic effects of low-dose exposure. Furthermore, agent behavior can encode the logic of signaling and genetic regulatory networks to evaluate the role of different pathways in chemical-induced injury. To extrapolate toxicity across species, chemicals, and doses, VT require four main components: (a) organization of prior knowledge on physiologic events to define the mechanistic rules for agent behavior, (b) knowledge on key chemical-induced molecular effects, including activation of stress sensors and changes in molecular pathways that alter the cellular phenotype, (c) multiresolution quantitative and qualitative analysis of histologic data to characterize and measure chemical-, dose-, and time-dependent physiologic events, and (d) multiscale, spatiotemporal simulation frameworks to effectively calibrate and evaluate VT using experimental data. This investigation presents the motivation, implementation, and application of VT with examples from hepatotoxicity and carcinogenesis.

Rational approach to identify newer caspase-1 inhibitors using pharmacophore based virtual screening, docking and molecular dynamic simulation studies.

PubMed

Patel, Shivani; Modi, Palmi; Chhabria, Mahesh

2018-05-01

Caspase-1 is a key endoprotease responsible for the post-translational processing of pro-inflammatory cytokines IL-1β, 18 & 33. Excessive secretion of IL-1β leads to numerous inflammatory and autoimmune diseases. Thus caspase-1 inhibition would be considered as an important therapeutic strategy for development of newer anti-inflammatory agents. Here we have employed an integrated virtual screening by combining pharmacophore mapping and docking to identify small molecules as caspase-1 inhibitors. The ligand based 3D pharmacophore model was generated having the essential structural features of (HBA, HY & RA) using a data set of 27 compounds. A validated pharmacophore hypothesis (Hypo 1) was used to screen ZINC and Minimaybridge chemical databases. The retrieved virtual hits were filtered by ADMET properties and molecular docking analysis. Subsequently, the cross-docking study was also carried out using crystal structure of caspase-1, 3, 7 and 8 to identify the key residual interaction for specific caspase-1 inhibition. Finally, the best mapped and top scored (ZINC00885612, ZINC72003647, BTB04175 and BTB04410) molecules were subjected to molecular dynamics simulation for accessing the dynamic structure of protein after ligand binding. This study identifies the most promising hits, which can be leads for the development of novel caspase-1 inhibitors as anti-inflammatory agents. Copyright © 2018 Elsevier Inc. All rights reserved.

Human agency beliefs influence behaviour during virtual social interactions.

PubMed

Caruana, Nathan; Spirou, Dean; Brock, Jon

2017-01-01

In recent years, with the emergence of relatively inexpensive and accessible virtual reality technologies, it is now possible to deliver compelling and realistic simulations of human-to-human interaction. Neuroimaging studies have shown that, when participants believe they are interacting via a virtual interface with another human agent, they show different patterns of brain activity compared to when they know that their virtual partner is computer-controlled. The suggestion is that users adopt an "intentional stance" by attributing mental states to their virtual partner. However, it remains unclear how beliefs in the agency of a virtual partner influence participants' behaviour and subjective experience of the interaction. We investigated this issue in the context of a cooperative "joint attention" game in which participants interacted via an eye tracker with a virtual onscreen partner, directing each other's eye gaze to different screen locations. Half of the participants were correctly informed that their partner was controlled by a computer algorithm ("Computer" condition). The other half were misled into believing that the virtual character was controlled by a second participant in another room ("Human" condition). Those in the "Human" condition were slower to make eye contact with their partner and more likely to try and guide their partner before they had established mutual eye contact than participants in the "Computer" condition. They also responded more rapidly when their partner was guiding them, although the same effect was also found for a control condition in which they responded to an arrow cue. Results confirm the influence of human agency beliefs on behaviour in this virtual social interaction context. They further suggest that researchers and developers attempting to simulate social interactions should consider the impact of agency beliefs on user experience in other social contexts, and their effect on the achievement of the application's goals.

ModelforAnalyzing Human Communication Network Based onAgent-Based Simulation

NASA Astrophysics Data System (ADS)

Matsuyama, Shinako; Terano, Takao

This paper discusses dynamic properties of human communications networks, which appears as a result of informationexchanges among people. We propose agent-based simulation (ABS) to examine implicit mechanisms behind the dynamics. The ABS enables us to reveal the characteristics and the differences of the networks regarding the specific communicationgroups. We perform experiments on the ABS with activity data from questionnaires survey and with virtual data which isdifferent from the activity data. We compare the difference between them and show the effectiveness of the ABS through theexperiments.

Virtual Characters: Visual Realism Affects Response Time and Decision-Making

ERIC Educational Resources Information Center

Sibuma, Bernadette

2012-01-01

This study integrates agent research with a neurocognitive technique to study how character faces affect cognitive processing. The N170 event-related potential (ERP) was used to study face processing during simple decision-making tasks. Twenty-five adults responded to facial expressions (fear/neutral) presented in three designs…

The Role of Affective and Motivational Factors in Designing Personalized Learning Environments

ERIC Educational Resources Information Center

Kim, ChanMin

2012-01-01

In this paper, guidelines for designing virtual change agents (VCAs) are proposed to support students' affective and motivational needs in order to promote personalized learning in online remedial mathematics courses. Automated, dynamic, and personalized support is emphasized in the guidelines through maximizing "interactions" between VCAs and…

Virtual Issue #1: Oil Spill Research in the Bulletin of Environmental Contamination and Toxicology

EPA Science Inventory

The Bulletin of Environmental Contamination and Toxicology has been a venue for publishing oil spill research for over forty years. Rehwoldt et al. (1974) published the first oil spill focused paper in the Bulletin, reporting on the aquatic toxicity of two spill mitigating agents...

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…

The Vice-Principal as an Agent of Instructional Reform.

ERIC Educational Resources Information Center

Spady, William G.

1985-01-01

Argues that the role of the assistant principal may be dysfunctional as a training ground for secondary school principals because, as presently defined, it permits assistants to learn virtually nothing about management and improving instruction. Presents an outcome-based model for preparing the assistant for a principalship. (KH)

An Application of Artificial Intelligence to the Implementation of Electronic Commerce

NASA Astrophysics Data System (ADS)

Srivastava, Anoop Kumar

In this paper, we present an application of Artificial Intelligence (AI) to the implementation of Electronic Commerce. We provide a multi autonomous agent based framework. Our agent based architecture leads to flexible design of a spectrum of multiagent system (MAS) by distributing computation and by providing a unified interface to data and programs. Autonomous agents are intelligent enough and provide autonomy, simplicity of communication, computation, and a well developed semantics. The steps of design and implementation are discussed in depth, structure of Electronic Marketplace, an ontology, the agent model, and interaction pattern between agents is given. We have developed mechanisms for coordination between agents using a language, which is called Virtual Enterprise Modeling Language (VEML). VEML is a integration of Java and Knowledge Query and Manipulation Language (KQML). VEML provides application programmers with potential to globally develop different kinds of MAS based on their requirements and applications. We have implemented a multi autonomous agent based system called VE System. We demonstrate efficacy of our system by discussing experimental results and its salient features.

Agent-based services for B2B electronic commerce

NASA Astrophysics Data System (ADS)

Fong, Elizabeth; Ivezic, Nenad; Rhodes, Tom; Peng, Yun

2000-12-01

The potential of agent-based systems has not been realized yet, in part, because of the lack of understanding of how the agent technology supports industrial needs and emerging standards. The area of business-to-business electronic commerce (b2b e-commerce) is one of the most rapidly developing sectors of industry with huge impact on manufacturing practices. In this paper, we investigate the current state of agent technology and the feasibility of applying agent-based computing to b2b e-commerce in the circuit board manufacturing sector. We identify critical tasks and opportunities in the b2b e-commerce area where agent-based services can best be deployed. We describe an implemented agent-based prototype system to facilitate the bidding process for printed circuit board manufacturing and assembly. These activities are taking place within the Internet Commerce for Manufacturing (ICM) project, the NIST- sponsored project working with industry to create an environment where small manufacturers of mechanical and electronic components may participate competitively in virtual enterprises that manufacture printed circuit assemblies.

Waste Management Using Request-Based Virtual Organizations

NASA Astrophysics Data System (ADS)

Katriou, Stamatia Ann; Fragidis, Garyfallos; Ignatiadis, Ioannis; Tolias, Evangelos; Koumpis, Adamantios

Waste management is on top of the political agenda globally as a high priority environmental issue, with billions spent on it each year. This paper proposes an approach for the disposal, transportation, recycling and reuse of waste. This approach incorporates the notion of Request Based Virtual Organizations (RBVOs) using a Service Oriented Architecture (SOA) and an ontology that serves the definition of waste management requirements. The populated ontology is utilized by a Multi-Agent System which performs negotiations and forms RBVOs. The proposed approach could be used by governments and companies searching for a means to perform such activities in an effective and efficient manner.

A Novel Resource Management Method of Providing Operating System as a Service for Mobile Transparent Computing

PubMed Central

Huang, Suzhen; Wu, Min; Zhang, Yaoxue; She, Jinhua

2014-01-01

This paper presents a framework for mobile transparent computing. It extends the PC transparent computing to mobile terminals. Since resources contain different kinds of operating systems and user data that are stored in a remote server, how to manage the network resources is essential. In this paper, we apply the technologies of quick emulator (QEMU) virtualization and mobile agent for mobile transparent computing (MTC) to devise a method of managing shared resources and services management (SRSM). It has three layers: a user layer, a manage layer, and a resource layer. A mobile virtual terminal in the user layer and virtual resource management in the manage layer cooperate to maintain the SRSM function accurately according to the user's requirements. An example of SRSM is used to validate this method. Experiment results show that the strategy is effective and stable. PMID:24883353

A novel resource management method of providing operating system as a service for mobile transparent computing.

PubMed

Xiong, Yonghua; Huang, Suzhen; Wu, Min; Zhang, Yaoxue; She, Jinhua

2014-01-01

This paper presents a framework for mobile transparent computing. It extends the PC transparent computing to mobile terminals. Since resources contain different kinds of operating systems and user data that are stored in a remote server, how to manage the network resources is essential. In this paper, we apply the technologies of quick emulator (QEMU) virtualization and mobile agent for mobile transparent computing (MTC) to devise a method of managing shared resources and services management (SRSM). It has three layers: a user layer, a manage layer, and a resource layer. A mobile virtual terminal in the user layer and virtual resource management in the manage layer cooperate to maintain the SRSM function accurately according to the user's requirements. An example of SRSM is used to validate this method. Experiment results show that the strategy is effective and stable.

Discovery of potent inhibitors of soluble epoxide hydrolase by combinatorial library design and structure-based virtual screening.

PubMed

Xing, Li; McDonald, Joseph J; Kolodziej, Steve A; Kurumbail, Ravi G; Williams, Jennifer M; Warren, Chad J; O'Neal, Janet M; Skepner, Jill E; Roberds, Steven L

2011-03-10

Structure-based virtual screening was applied to design combinatorial libraries to discover novel and potent soluble epoxide hydrolase (sEH) inhibitors. X-ray crystal structures revealed unique interactions for a benzoxazole template in addition to the conserved hydrogen bonds with the catalytic machinery of sEH. By exploitation of the favorable binding elements, two iterations of library design based on amide coupling were employed, guided principally by the docking results of the enumerated virtual products. Biological screening of the libraries demonstrated as high as 90% hit rate, of which over two dozen compounds were single digit nanomolar sEH inhibitors by IC(50) determination. In total the library design and synthesis produced more than 300 submicromolar sEH inhibitors. In cellular systems consistent activities were demonstrated with biochemical measurements. The SAR understanding of the benzoxazole template provides valuable insights into discovery of novel sEH inhibitors as therapeutic agents.

Closed-loop dialog model of face-to-face communication with a photo-real virtual human

NASA Astrophysics Data System (ADS)

Kiss, Bernadette; Benedek, Balázs; Szijárto, Gábor; Takács, Barnabás

2004-01-01

We describe an advanced Human Computer Interaction (HCI) model that employs photo-realistic virtual humans to provide digital media users with information, learning services and entertainment in a highly personalized and adaptive manner. The system can be used as a computer interface or as a tool to deliver content to end-users. We model the interaction process between the user and the system as part of a closed loop dialog taking place between the participants. This dialog, exploits the most important characteristics of a face-to-face communication process, including the use of non-verbal gestures and meta communication signals to control the flow of information. Our solution is based on a Virtual Human Interface (VHI) technology that was specifically designed to be able to create emotional engagement between the virtual agent and the user, thus increasing the efficiency of learning and/or absorbing any information broadcasted through this device. The paper reviews the basic building blocks and technologies needed to create such a system and discusses its advantages over other existing methods.

Social Dynamics in Web Page through Inter-Agent Interaction

NASA Astrophysics Data System (ADS)

Takeuchi, Yugo; Katagiri, Yasuhiro

Social persuasion abounds in human-human interactions. Attitudes and behaviors of people are invariably influenced by the attitudes and behaviors of other people as well as our social roles/relationships toward them. In the pedagogic scene, the relationship between teacher and learner produces one of the most typical interactions, in which the teacher makes the learner spontaneously study what he/she teaches. This study is an attempt to elucidate the nature and effectiveness of social persuasion in human-computer interaction environments. We focus on the social dynamics of multi-party interactions that involve both human-agent and inter-agent interactions. An experiment is conducted in a virtual web-instruction setting employing two types of agents: conductor agents who accompany and guide each learner throughout his/her learning sessions, and domain-expert agents who provide explanations and instructions for each stage of the instructional materials. In this experiment, subjects are assigned two experimental conditions: the authorized condition, in which an agent respectfully interacts with another agent, and the non-authorized condition, in which an agent carelessly interacts with another agent. The results indicate performance improvements in the authorized condition of inter-agent interactions. An analysis is given from the perspective of the transfer of authority from inter-agent to human-agent interactions based on social conformity. We argue for pedagogic advantages of social dynamics created by multiple animated character agents.

A problem of optimal control and observation for distributed homogeneous multi-agent system

NASA Astrophysics Data System (ADS)

Kruglikov, Sergey V.

2017-12-01

The paper considers the implementation of a algorithm for controlling a distributed complex of several mobile multi-robots. The concept of a unified information space of the controlling system is applied. The presented information and mathematical models of participants and obstacles, as real agents, and goals and scenarios, as virtual agents, create the base forming the algorithmic and software background for computer decision support system. The controlling scheme assumes the indirect management of the robotic team on the basis of optimal control and observation problem predicting intellectual behavior in a dynamic, hostile environment. A basic content problem is a compound cargo transportation by a group of participants in the case of a distributed control scheme in the terrain with multiple obstacles.

Virtual bargaining: a theory of social decision-making

PubMed Central

Misyak, Jennifer B.; Chater, Nick

2014-01-01

An essential element of goal-directed decision-making in social contexts is that agents' actions may be mutually interdependent. However, the most well-developed approaches to such strategic interactions, based on the Nash equilibrium concept in game theory, are sometimes too broad and at other times ‘overlook’ good solutions to fundamental social dilemmas and coordination problems. The authors propose a new theory of social decision-making—virtual bargaining—in which individuals decide among a set of moves on the basis of what they would agree to do if they could openly bargain. The core principles of a formal account are outlined (vis-à-vis the notions of ‘feasible agreement’ and explicit negotiation) and further illustrated with the introduction of a new game, dubbed the ‘Boobytrap game’ (a modification on the canonical Prisoner's Dilemma paradigm). In the first empirical data of how individuals play the Boobytrap game, participants' experimental choices accord well with a virtual bargaining perspective, but do not match predictions from a standard Nash account. Alternative frameworks are discussed, with specific empirical tests between these and virtual bargaining identified as future research directions. Lastly, it is proposed that virtual bargaining underpins a vast range of human activities, from social decision-making to joint action and communication. PMID:25267828

Combining structure-based pharmacophore modeling, virtual screening, and in silico ADMET analysis to discover novel tetrahydro-quinoline based pyruvate kinase isozyme M2 activators with antitumor activity

PubMed Central

Chen, Can; Wang, Ting; Wu, Fengbo; Huang, Wei; He, Gu; Ouyang, Liang; Xiang, Mingli; Peng, Cheng; Jiang, Qinglin

2014-01-01

Compared with normal differentiated cells, cancer cells upregulate the expression of pyruvate kinase isozyme M2 (PKM2) to support glycolytic intermediates for anabolic processes, including the synthesis of nucleic acids, amino acids, and lipids. In this study, a combination of the structure-based pharmacophore modeling and a hybrid protocol of virtual screening methods comprised of pharmacophore model-based virtual screening, docking-based virtual screening, and in silico ADMET (absorption, distribution, metabolism, excretion and toxicity) analysis were used to retrieve novel PKM2 activators from commercially available chemical databases. Tetrahydroquinoline derivatives were identified as potential scaffolds of PKM2 activators. Thus, the hybrid virtual screening approach was applied to screen the focused tetrahydroquinoline derivatives embedded in the ZINC database. Six hit compounds were selected from the final hits and experimental studies were then performed. Compound 8 displayed a potent inhibitory effect on human lung cancer cells. Following treatment with Compound 8, cell viability, apoptosis, and reactive oxygen species (ROS) production were examined in A549 cells. Finally, we evaluated the effects of Compound 8 on mice xenograft tumor models in vivo. These results may provide important information for further research on novel PKM2 activators as antitumor agents. PMID:25214764

Designing Empathetic Animated Agents for a B-Learning Training Environment within the Electrical Domain

ERIC Educational Resources Information Center

Hernández, Yasmin; Pérez-Ramírez, Miguel; Zatarain-Cabada, Ramon; Barrón-Estrada, Lucia; Alor-Hernández, Giner

2016-01-01

Electrical tests involve high risk; therefore utility companies require highly qualified electricians and efficient training. Recently, training for electrical tests has been supported by virtual reality systems; nonetheless, these training systems are not yet adaptive. We propose a b-learning model to support adaptive and distance training. The…

The Non-Problem of the Other Minds: A Neurodevelopmental Perspective on Shared Intentionality

ERIC Educational Resources Information Center

Colle, Livia; Becchio, Cristina; Bara, Bruno G.

2008-01-01

In this paper, we combine neurological and developmental evidences in order to differentiate between two levels of sharing: dyadic sharing, virtually present from birth and depending on the activation of shared representation, and triadic sharing, requiring that agents not only share a common representation, but also represent complementary…

Comparing Virtual and Physical Robotics Environments for Supporting Complex Systems and Computational Thinking

ERIC Educational Resources Information Center

Berland, Matthew; Wilensky, Uri

2015-01-01

Both complex systems methods (such as agent-based modeling) and computational methods (such as programming) provide powerful ways for students to understand new phenomena. To understand how to effectively teach complex systems and computational content to younger students, we conducted a study in four urban middle school classrooms comparing…

Genetic variation in field and laboratory populations of the spined soldier bug Podisus maculiventris (Say) (Heteroptera: Pentatomidae)

USDA-ARS?s Scientific Manuscript database

The predatory spined soldier bug, Podisus maculiventris, is an economically important and high-valued biological control agent. There is substantial information on the biology, ecology, behavior and rearing of this stink bug. However, virtually nothing is known of its genetic variation, in natural...

Final Report-Rail Sensor Testbed Program: Active Agents in Containers for Transport Chain Security

DTIC Science & Technology

2011-03-21

information. These trust approaches have been applied to a variety of regimes, including virtual communities [14], email [15] and ecommerce [16...2004(http://www .arxiv.org/abs/cond-mat/0402143). 16. Melnik, M., Aim, J., Does a seller’s eCommerce reputation matter? evidence from eBay auctions

Virtual Focus Groups in Extension: A Useful Approach to Audience Analysis

ERIC Educational Resources Information Center

Warner, Laura A.

2014-01-01

As change agents, Extension educators may begin their program planning by identifying the audience's perceived barriers and benefits to adopting some behavior that will benefit the community. Extension professionals and researchers have used in-person focus groups to understand an audience, and they can also administer them as…

Designing a Teachable Agent System for Mathematics Learning

ERIC Educational Resources Information Center

Song, Donggil

2017-01-01

Learning-by-teaching has been identified as one of the more effective approaches to learning. Recently, educational researchers have investigated virtual environments in order to utilize the learning-by-teaching pedagogy. In a face-to-face learning-by-teaching situation, the role of the learners is to teach their peers or instructors. In virtual…

Identifying Learning Behaviors by Contextualizing Differential Sequence Mining with Action Features and Performance Evolution

ERIC Educational Resources Information Center

Kinnebrew, John S.; Biswas, Gautam

2012-01-01

Our learning-by-teaching environment, Betty's Brain, captures a wealth of data on students' learning interactions as they teach a virtual agent. This paper extends an exploratory data mining methodology for assessing and comparing students' learning behaviors from these interaction traces. The core algorithm employs sequence mining techniques to…

Learning Science in Virtual Reality Multimedia Environments: Role of Methods and Media.

ERIC Educational Resources Information Center

Moreno, Roxana; Mayer, Richard E.

2002-01-01

College students learned about botany through an agent-based multimedia game. Students received either spoken or identical on-screen text explanations. Results reveal that students scored higher on retention, transfer, and program ratings in narration conditions than in text conditions. The media--desktop displays or headmounted displays--did not…

Selective attention and control of action: comparative psychology of an artificial, evolved agent and people.

PubMed

Ward, Robert; Ward, Ronnie

2008-10-01

This study examined the selective attention abilities of a simple, artificial, evolved agent and considered implications of the agent's performance for theories of selective attention and action. The agent processed two targets in continuous time, catching one and then the other. This task required many cognitive operations, including prioritizing the first target (T1) over the second (T2); selectively focusing responses on T1, while preventing T2 from interfering with responses; creating a memory for the unselected T2 item, so that it could be efficiently processed later; and reallocating processing towards T2 after catching T1. The evolved agent demonstrated all these abilities. Analysis shows that the agent used reactive inhibition to selectively focus behavior. That is, the more salient T2, the more strongly responses towards T2 were inhibited and the slower the agent was to subsequently reallocate processing towards T2. Reactive inhibition was also suggested in two experiments with people, performing a virtually identical catch task. The presence of reactive inhibition in the simple agent and in people suggests that it is an important mechanism for selective processing.

Identification of novel PfDHODH inhibitors as antimalarial agents via pharmacophore-based virtual screening followed by molecular docking and in vivo antimalarial activity.

PubMed

Vyas, V K; Qureshi, G; Ghate, M; Patel, H; Dalai, S

2016-06-01

Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH) catalyses the fourth reaction of de novo pyrimidine biosynthesis in parasites, and represents an important target for the treatment of malaria. In this study, we describe pharmacophore-based virtual screening combined with docking study and biological evaluation as a rational strategy for identification of novel hits as antimalarial agents. Pharmacophore models were established from known PfDHODH inhibitors using the GALAHAD module with IC50 values ranging from 0.033 μM to 142 μM. The best pharmacophore model consisted of three hydrogen bond acceptor, one hydrogen bond donor and one hydrophobic features. The pharmacophore models were validated through receiver operating characteristic and Günere-Henry scoring methods. The best pharmacophore model as a 3D search query was searched against the IBS database. Several compounds with different structures (scaffolds) were retrieved as hit molecules. Among these compounds, those with a QFIT value of more than 81 were docked in the PfDHODH enzyme to further explore the binding modes of these compounds. In silico pharmacokinetic and toxicities were predicted for the best docked molecules. Finally, the identified hits were evaluated in vivo for their antimalarial activity in a parasite inhibition assay. The hits reported here showed good potential to become novel antimalarial agents.

Mother ship and physical agents collaboration

NASA Astrophysics Data System (ADS)

Young, Stuart H.; Budulas, Peter P.; Emmerman, Philip J.

1999-07-01

This paper discusses ongoing research at the U.S. Army Research Laboratory that investigates the feasibility of developing a collaboration architecture between small physical agents and a mother ship. This incudes the distribution of planning, perception, mobility, processing and communications requirements between the mother ship and the agents. Small physical agents of the future will be virtually everywhere on the battlefield of the 21st century. A mother ship that is coupled to a team of small collaborating physical agents (conducting tasks such as Reconnaissance, Surveillance, and Target Acquisition (RSTA); logistics; sentry; and communications relay) will be used to build a completely effective and mission capable intelligent system. The mother ship must have long-range mobility to deploy the small, highly maneuverable agents that will operate in urban environments and more localized areas, and act as a logistics base for the smaller agents. The mother ship also establishes a robust communications network between the agents and is the primary information disseminating and receiving point to the external world. Because of its global knowledge and processing power, the mother ship does the high-level control and planning for the collaborative physical agents. This high level control and interaction between the mother ship and its agents (including inter agent collaboration) will be software agent architecture based. The mother ship incorporates multi-resolution battlefield visualization and analysis technology, which aids in mission planning and sensor fusion.

Applying tattoo dye as a third-harmonic generation contrast agent for in vivo optical virtual biopsy of human skin

NASA Astrophysics Data System (ADS)

Tsai, Ming-Rung; Lin, Chen-Yu; Liao, Yi-Hua; Sun, Chi-Kuang

2013-02-01

Third-harmonic generation (THG) microscopy has been reported to provide intrinsic contrast in elastic fibers, cytoplasmic membrane, nucleus, actin filaments, lipid bodies, hemoglobin, and melanin in human skin. For advanced molecular imaging, exogenous contrast agents are developed for a higher structural or molecular specificity. We demonstrate the potential of the commonly adopted tattoo dye as a THG contrast agent for in vivo optical biopsy of human skin. Spectroscopy and microscopy experiments were performed on cultured cells with tattoo dyes, in tattooed mouse skin, and in tattooed human skin to demonstrate the THG enhancement effect. Compared with other absorbing dyes or nanoparticles used as exogenous THG contrast agents, tattoo dyes are widely adopted in human skin so that future clinical biocompatibility evaluation is relatively achievable. Combined with the demonstrated THG enhancement effect, tattoo dyes show their promise for future clinical imaging applications.

Proto-Examples of Data Access and Visualization Components of a Potential Cloud-Based GEOSS-AI System

NASA Technical Reports Server (NTRS)

Teng, William; Lynnes, Christopher

2014-01-01

Once a research or application problem has been identified, one logical next step is to search for available relevant data products. Thus, an early component of a potential GEOSS-AI system, in the continuum between observations and end point research, applications, and decision making, would be one that enables transparent data discovery and access by users. Such a component might be effected via the systems data agents. Presumably, some kind of data cataloging has already been implemented, e.g., in the GEOSS Common Infrastructure (GCI). Both the agents and cataloging could also leverage existing resources external to the system. The system would have some means to accept and integrate user-contributed agents. The need or desirability for some data format internal to the system should be evaluated. Another early component would be one that facilitates browsing visualization of the data, as well as some basic analyses.Three ongoing projects at the NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) provide possible proto-examples of potential data access and visualization components of a cloud-based GEOSS-AI system. 1. Reorganizing data archived as time-step arrays to point-time series (data rods), as well as leveraging the NASA Simple Subset Wizard (SSW), to significantly increase the number of data products available, at multiple NASA data centers, for production as on-the-fly (virtual) data rods. SSWs data discovery is based on OpenSearch. Both pre-generated and virtual data rods are accessible via Web services. 2. Developing Web Feature Services to publish the metadata, and expose the locations, of pre-generated and virtual data rods in the GEOSS Portal and enable direct access of the data via Web services. SSW is also leveraged to increase the availability of both NASA and non-NASA data.3.Federating NASA Giovanni (Geospatial Interactive Online Visualization and Analysis Interface), for multi-sensor data exploration, that would allow each cooperating data center, currently the NASA Distributed Active Archive Centers (DAACs), to configure its own Giovanni deployment, while also allowing all the deployments to incorporate each others data. A federated Giovanni comprises Giovanni Virtual Machines, which can be run on local servers or in the cloud.

Un analisis de la influencia de las fricciones de los campos no militares sobre las fricciones del campo militar presentes en la operacion de rescate de rehenes Chavin de Huantar (An Analysis of the Influence that Friction in Non-Military Fields of Action Had Upon Military Friction in the Hostage Rescue Operation Chavin de Huantar)

DTIC Science & Technology

2012-05-16

situación. Según los rehenes, el “Árabe” era más inteligente y preparado políticamente, lo que le dio fortaleza y mayor aceptación en el grupo...técnicos y materiales de la Unidad Especial de Combate (UEC) de la Marina de Guerra del Perú, a solicitud de su Comandante General. Su llegada ocurrió el

Perspectivas Futuras para o Observatório do Pico dos Dias

NASA Astrophysics Data System (ADS)

Bruch, Albert

2004-02-01

Com o Observatório Gemini plenamente operacional e o telescópio SOAR iniciando suas operações em breve, a astronomia observacional brasileira encontra-se no auge de uma transformação profunda que terá um impacto grave no Observatório do Pico dos Dias - OPD. Refletimos aqui sobre a natureza desse impacto e estratégias para manter a competitividade do OPD. Não queremos apresentar receitas prontas, mas idéias que poderão servir como base de discussão sobre o uso inteligente dos telescópios do OPD como parte do conjunto de instrumentos disponíveis à comunidade astronômica brasileira.

Recent progress in econophysics: Chaos, leverage, and business cycles as revealed by agent-based modeling and human experiments

NASA Astrophysics Data System (ADS)

Xin, Chen; Huang, Ji-Ping

2017-12-01

Agent-based modeling and controlled human experiments serve as two fundamental research methods in the field of econophysics. Agent-based modeling has been in development for over 20 years, but how to design virtual agents with high levels of human-like "intelligence" remains a challenge. On the other hand, experimental econophysics is an emerging field; however, there is a lack of experience and paradigms related to the field. Here, we review some of the most recent research results obtained through the use of these two methods concerning financial problems such as chaos, leverage, and business cycles. We also review the principles behind assessments of agents' intelligence levels, and some relevant designs for human experiments. The main theme of this review is to show that by combining theory, agent-based modeling, and controlled human experiments, one can garner more reliable and credible results on account of a better verification of theory; accordingly, this way, a wider range of economic and financial problems and phenomena can be studied.

Activated, coal-based carbon foam

DOEpatents

Rogers, Darren Kenneth; Plucinski, Janusz Wladyslaw

2004-12-21

An ablation resistant, monolithic, activated, carbon foam produced by the activation of a coal-based carbon foam through the action of carbon dioxide, ozone or some similar oxidative agent that pits and/or partially oxidizes the carbon foam skeleton, thereby significantly increasing its overall surface area and concurrently increasing its filtering ability. Such activated carbon foams are suitable for application in virtually all areas where particulate or gel form activated carbon materials have been used. Such an activated carbon foam can be fabricated, i.e. sawed, machined and otherwise shaped to fit virtually any required filtering location by simple insertion and without the need for handling the "dirty" and friable particulate activated carbon foam materials of the prior art.

Human agency beliefs influence behaviour during virtual social interactions

PubMed Central

Brock, Jon

2017-01-01

In recent years, with the emergence of relatively inexpensive and accessible virtual reality technologies, it is now possible to deliver compelling and realistic simulations of human-to-human interaction. Neuroimaging studies have shown that, when participants believe they are interacting via a virtual interface with another human agent, they show different patterns of brain activity compared to when they know that their virtual partner is computer-controlled. The suggestion is that users adopt an “intentional stance” by attributing mental states to their virtual partner. However, it remains unclear how beliefs in the agency of a virtual partner influence participants’ behaviour and subjective experience of the interaction. We investigated this issue in the context of a cooperative “joint attention” game in which participants interacted via an eye tracker with a virtual onscreen partner, directing each other’s eye gaze to different screen locations. Half of the participants were correctly informed that their partner was controlled by a computer algorithm (“Computer” condition). The other half were misled into believing that the virtual character was controlled by a second participant in another room (“Human” condition). Those in the “Human” condition were slower to make eye contact with their partner and more likely to try and guide their partner before they had established mutual eye contact than participants in the “Computer” condition. They also responded more rapidly when their partner was guiding them, although the same effect was also found for a control condition in which they responded to an arrow cue. Results confirm the influence of human agency beliefs on behaviour in this virtual social interaction context. They further suggest that researchers and developers attempting to simulate social interactions should consider the impact of agency beliefs on user experience in other social contexts, and their effect on the achievement of the application’s goals. PMID:28948104

The Effect of Contextualized Conversational Feedback in a Complex Open-Ended Learning Environment

ERIC Educational Resources Information Center

Segedy, James R.; Kinnebrew, John S.; Biswas, Gautam

2013-01-01

Betty's Brain is an open-ended learning environment in which students learn about science topics by teaching a virtual agent named Betty through the construction of a visual causal map that represents the relevant science phenomena. The task is complex, and success requires the use of metacognitive strategies that support knowledge acquisition,…

Virtually Stress Free: Keeping Online Graduate Management Students Healthy from Afar

ERIC Educational Resources Information Center

Martinak, M. Linda

2012-01-01

This article examines stress experienced by graduate management students in an online learning environment. I use qualitative methodology to examine data collected from 32 students in 2 sections of a graduate online course. Findings identify 6 categories of stressors experienced by the students as well as 6 categories of stress relief agents.…

Being an "Agent Provocateur": Utilising Online Spaces for Teacher Professional Development in Virtual Simulation Games

ERIC Educational Resources Information Center

deNoyelles, Aimee; Raider-Roth, Miriam

2016-01-01

This article details the results of an action research study which investigated how teachers used online learning community spaces to develop and support their teaching and learning of the Jewish Court of All Time (JCAT), a web-mediated, character-playing, simulation game that engages participants with social, historical and cultural curricula.…

Ingress in Geography: Portals to Academic Success?

ERIC Educational Resources Information Center

Davis, Michael

2017-01-01

Niantic Labs has developed an augmented virtual reality mobile app game called Ingress in which agents must seek out and control locations for their designated factions. The app uses the Google Maps interface along with GPS to enhance a geocaching-like experience with elements of other classical games such as capture-the-flag. This study aims to…

Design Principles of an Open Agent Architecture for Web-Based Learning Community.

ERIC Educational Resources Information Center

Jin, Qun; Ma, Jianhua; Huang, Runhe; Shih, Timothy K.

A Web-based learning community involves much more than putting learning materials into a Web site. It can be seen as a complex virtual organization involved with people, facilities, and cyber-environment. Tremendous work and manpower for maintaining, upgrading, and managing facilities and the cyber-environment are required. There is presented an…

An Assessment of a Mixed Reality Environment: Toward an Ethnomethodological Approach

ERIC Educational Resources Information Center

Dugdale, Julie; Pallamin, Nico; Pavard, Bernard

2006-01-01

Training firefighters is a difficult process in which emotions and nonverbal behaviors play an important role. The authors have developed a mixed reality environment for training a small group of firefighters, which takes into account these aspects. The assessment of the environment was made up of three phases: assessing the virtual agents to…

High copy number of ovine gammaherpesvirus 2 DNA associated with malignant catarrhal fever-like syndrome in a lamb

USDA-ARS?s Scientific Manuscript database

Domestic and wild sheep are the natural reservoirs for ovine gammaherpesvirus 2 (OvHV-2), the causative agent of sheep-associated malignant catarrhal fever (SA-MCF). Virtually all domestic sheep are infected with OvHV-2 and infection is normally subclinical. MCF-like clinical signs and typical histo...

Enhanced Deployment Strategy for Role-Based Hierarchical Application Agents in Wireless Sensor Networks with Established Clusterheads

ERIC Educational Resources Information Center

Gendreau, Audrey

2014-01-01

Efficient self-organizing virtual clusterheads that supervise data collection based on their wireless connectivity, risk, and overhead costs, are an important element of Wireless Sensor Networks (WSNs). This function is especially critical during deployment when system resources are allocated to a subsequent application. In the presented research,…

Small molecule inhibitors of ERCC1-XPF protein-protein interaction synergize alkylating agents in cancer cells.

PubMed

Jordheim, Lars Petter; Barakat, Khaled H; Heinrich-Balard, Laurence; Matera, Eva-Laure; Cros-Perrial, Emeline; Bouledrak, Karima; El Sabeh, Rana; Perez-Pineiro, Rolando; Wishart, David S; Cohen, Richard; Tuszynski, Jack; Dumontet, Charles

2013-07-01

The benefit of cancer chemotherapy based on alkylating agents is limited because of the action of DNA repair enzymes, which mitigate the damage induced by these agents. The interaction between the proteins ERCC1 and XPF involves two major components of the nucleotide excision repair pathway. Here, novel inhibitors of this interaction were identified by virtual screening based on available structures with use of the National Cancer Institute diversity set and a panel of DrugBank small molecules. Subsequently, experimental validation of the in silico screening was undertaken. Top hits were evaluated on A549 and HCT116 cancer cells. In particular, the compound labeled NSC 130813 [4-[(6-chloro-2-methoxy-9-acridinyl)amino]-2-[(4-methyl-1-piperazinyl)methyl

Fire training in a virtual-reality environment

NASA Astrophysics Data System (ADS)

Freund, Eckhard; Rossmann, Jurgen; Bucken, Arno

2005-03-01

Although fire is very common in our daily environment - as a source of energy at home or as a tool in industry - most people cannot estimate the danger of a conflagration. Therefore it is important to train people in combating fire. Beneath training with propane simulators or real fires and real extinguishers, fire training can be performed in virtual reality, which means a pollution-free and fast way of training. In this paper we describe how to enhance a virtual-reality environment with a real-time fire simulation and visualisation in order to establish a realistic emergency-training system. The presented approach supports extinguishing of the virtual fire including recordable performance data as needed in teletraining environments. We will show how to get realistic impressions of fire using advanced particle-simulation and how to use the advantages of particles to trigger states in a modified cellular automata used for the simulation of fire-behaviour. Using particle systems that interact with cellular automata it is possible to simulate a developing, spreading fire and its reaction on different extinguishing agents like water, CO2 or oxygen. The methods proposed in this paper have been implemented and successfully tested on Cosimir, a commercial robot-and VR-simulation-system.

Tracking dynamic team activity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tambe, M.

1996-12-31

AI researchers are striving to build complex multi-agent worlds with intended applications ranging from the RoboCup robotic soccer tournaments, to interactive virtual theatre, to large-scale real-world battlefield simulations. Agent tracking - monitoring other agent`s actions and inferring their higher-level goals and intentions - is a central requirement in such worlds. While previous work has mostly focused on tracking individual agents, this paper goes beyond by focusing on agent teams. Team tracking poses the challenge of tracking a team`s joint goals and plans. Dynamic, real-time environments add to the challenge, as ambiguities have to be resolved in real-time. The central hypothesismore » underlying the present work is that an explicit team-oriented perspective enables effective team tracking. This hypothesis is instantiated using the model tracing technology employed in tracking individual agents. Thus, to track team activities, team models are put to service. Team models are a concrete application of the joint intentions framework and enable an agent to track team activities, regardless of the agent`s being a collaborative participant or a non-participant in the team. To facilitate real-time ambiguity resolution with team models: (i) aspects of tracking are cast as constraint satisfaction problems to exploit constraint propagation techniques; and (ii) a cost minimality criterion is applied to constrain tracking search. Empirical results from two separate tasks in real-world, dynamic environments one collaborative and one competitive - are provided.« less

Dynamic electronic institutions in agent oriented cloud robotic systems.

PubMed

Nagrath, Vineet; Morel, Olivier; Malik, Aamir; Saad, Naufal; Meriaudeau, Fabrice

2015-01-01

The dot-com bubble bursted in the year 2000 followed by a swift movement towards resource virtualization and cloud computing business model. Cloud computing emerged not as new form of computing or network technology but a mere remoulding of existing technologies to suit a new business model. Cloud robotics is understood as adaptation of cloud computing ideas for robotic applications. Current efforts in cloud robotics stress upon developing robots that utilize computing and service infrastructure of the cloud, without debating on the underlying business model. HTM5 is an OMG's MDA based Meta-model for agent oriented development of cloud robotic systems. The trade-view of HTM5 promotes peer-to-peer trade amongst software agents. HTM5 agents represent various cloud entities and implement their business logic on cloud interactions. Trade in a peer-to-peer cloud robotic system is based on relationships and contracts amongst several agent subsets. Electronic Institutions are associations of heterogeneous intelligent agents which interact with each other following predefined norms. In Dynamic Electronic Institutions, the process of formation, reformation and dissolution of institutions is automated leading to run time adaptations in groups of agents. DEIs in agent oriented cloud robotic ecosystems bring order and group intellect. This article presents DEI implementations through HTM5 methodology.

Enhanced emotional responses during social coordination with a virtual partner

PubMed Central

Dumas, Guillaume; Kelso, J.A. Scott; Tognoli, Emmanuelle

2016-01-01

Emotion and motion, though seldom studied in tandem, are complementary aspects of social experience. This study investigates variations in emotional responses during movement coordination between a human and a Virtual Partner (VP), an agent whose virtual finger movements are driven by the Haken-Kelso-Bunz (HKB) equations of Coordination Dynamics. Twenty-one subjects were instructed to coordinate finger movements with the VP in either inphase or antiphase patterns. By adjusting model parameters, we manipulated the ‘intention’ of VP as cooperative or competitive with the human's instructed goal. Skin potential responses (SPR) were recorded to quantify the intensity of emotional response. At the end of each trial, subjects rated the VP's intention and whether they thought their partner was another human being or a machine. We found greater emotional responses when subjects reported that their partner was human and when coordination was stable. That emotional responses are strongly influenced by dynamic features of the VP's behavior, has implications for mental health, brain disorders and the design of socially cooperative machines. PMID:27094374

Identification of promising DNA GyrB inhibitors for Tuberculosis using pharmacophore-based virtual screening, molecular docking and molecular dynamics studies.

PubMed

Islam, Md Ataul; Pillay, Tahir S

2017-08-01

In this study, we searched for potential DNA GyrB inhibitors using pharmacophore-based virtual screening followed by molecular docking and molecular dynamics simulation approaches. For this purpose, a set of 248 DNA GyrB inhibitors was collected from the literature and a well-validated pharmacophore model was generated. The best pharmacophore model explained that two each of hydrogen bond acceptors and hydrophobicity regions were critical for inhibition of DNA GyrB. Good statistical results of the pharmacophore model indicated that the model was robust in nature. Virtual screening of molecular databases revealed three molecules as potential antimycobacterial agents. The final screened promising compounds were evaluated in molecular docking and molecular dynamics simulation studies. In the molecular dynamics studies, RMSD and RMSF values undoubtedly explained that the screened compounds formed stable complexes with DNA GyrB. Therefore, it can be concluded that the compounds identified may have potential for the treatment of TB. © 2017 John Wiley & Sons A/S.

Towards a Transcription System of Sign Language for 3D Virtual Agents

NASA Astrophysics Data System (ADS)

Do Amaral, Wanessa Machado; de Martino, José Mario

Accessibility is a growing concern in computer science. Since virtual information is mostly presented visually, it may seem that access for deaf people is not an issue. However, for prelingually deaf individuals, those who were deaf since before acquiring and formally learn a language, written information is often of limited accessibility than if presented in signing. Further, for this community, signing is their language of choice, and reading text in a spoken language is akin to using a foreign language. Sign language uses gestures and facial expressions and is widely used by deaf communities. To enabling efficient production of signed content on virtual environment, it is necessary to make written records of signs. Transcription systems have been developed to describe sign languages in written form, but these systems have limitations. Since they were not originally designed with computer animation in mind, in general, the recognition and reproduction of signs in these systems is an easy task only to those who deeply know the system. The aim of this work is to develop a transcription system to provide signed content in virtual environment. To animate a virtual avatar, a transcription system requires explicit enough information, such as movement speed, signs concatenation, sequence of each hold-and-movement and facial expressions, trying to articulate close to reality. Although many important studies in sign languages have been published, the transcription problem remains a challenge. Thus, a notation to describe, store and play signed content in virtual environments offers a multidisciplinary study and research tool, which may help linguistic studies to understand the sign languages structure and grammar.

A single tri-epitopic antibody virtually recapitulates the potency of a combination of three monoclonal antibodies in neutralization of Botulinum Neurotoxin Serotype A

USDA-ARS?s Scientific Manuscript database

Botulinum neurotoxins (BoNTs) are one of the six highest-risk threat agents for bioterrorism, due to their extreme potency and lethality, ease of production, and need for prolonged intensive care of intoxicated patients. The current standard of treatment, equine antitoxin, has a high incidence of al...

VMSoar: a cognitive agent for network security

NASA Astrophysics Data System (ADS)

Benjamin, David P.; Shankar-Iyer, Ranjita; Perumal, Archana

2005-03-01

VMSoar is a cognitive network security agent designed for both network configuration and long-term security management. It performs automatic vulnerability assessments by exploring a configuration"s weaknesses and also performs network intrusion detection. VMSoar is built on the Soar cognitive architecture, and benefits from the general cognitive abilities of Soar, including learning from experience, the ability to solve a wide range of complex problems, and use of natural language to interact with humans. The approach used by VMSoar is very different from that taken by other vulnerability assessment or intrusion detection systems. VMSoar performs vulnerability assessments by using VMWare to create a virtual copy of the target machine then attacking the simulated machine with a wide assortment of exploits. VMSoar uses this same ability to perform intrusion detection. When trying to understand a sequence of network packets, VMSoar uses VMWare to make a virtual copy of the local portion of the network and then attempts to generate the observed packets on the simulated network by performing various exploits. This approach is initially slow, but VMSoar"s learning ability significantly speeds up both vulnerability assessment and intrusion detection. This paper describes the design and implementation of VMSoar, and initial experiments with Windows NT and XP.

Monitoring and detection platform to prevent anomalous situations in home care.

PubMed

Villarrubia, Gabriel; Bajo, Javier; De Paz, Juan F; Corchado, Juan M

2014-06-05

Monitoring and tracking people at home usually requires high cost hardware installations, which implies they are not affordable in many situations. This study/paper proposes a monitoring and tracking system for people with medical problems. A virtual organization of agents based on the PANGEA platform, which allows the easy integration of different devices, was created for this study. In this case, a virtual organization was implemented to track and monitor patients carrying a Holter monitor. The system includes the hardware and software required to perform: ECG measurements, monitoring through accelerometers and WiFi networks. Furthermore, the use of interactive television can moderate interactivity with the user. The system makes it possible to merge the information and facilitates patient tracking efficiently with low cost.

A virtual experimenter to increase standardization for the investigation of placebo effects.

PubMed

Horing, Bjoern; Newsome, Nathan D; Enck, Paul; Babu, Sabarish V; Muth, Eric R

2016-07-18

Placebo effects are mediated by expectancy, which is highly influenced by psychosocial factors of a treatment context. These factors are difficult to standardize. Furthermore, dedicated placebo research often necessitates single-blind deceptive designs where biases are easily introduced. We propose a study protocol employing a virtual experimenter - a computer program designed to deliver treatment and instructions - for the purpose of standardization and reduction of biases when investigating placebo effects. To evaluate the virtual experimenter's efficacy in inducing placebo effects via expectancy manipulation, we suggest a partially blinded, deceptive design with a baseline/retest pain protocol (hand immersions in hot water bath). Between immersions, participants will receive an (actually inert) medication. Instructions pertaining to the medication will be delivered by one of three metaphors: The virtual experimenter, a human experimenter, and an audio/text presentation (predictor "Metaphor"). The second predictor includes falsely informing participants that the medication is an effective pain killer, or correctly informing them that it is, in fact, inert (predictor "Instruction"). Analysis will be performed with hierarchical linear modelling, with a sample size of N = 50. Results from two pilot studies are presented that indicate the viability of the pain protocol (N = 33), and of the virtual experimenter software and placebo manipulation (N = 48). It will be challenging to establish full comparability between all metaphors used for instruction delivery, and to account for participant differences in acceptance of their virtual interaction partner. Once established, the presence of placebo effects would suggest that the virtual experimenter exhibits sufficient cues to be perceived as a social agent. He could consequently provide a convenient platform to investigate effects of experimenter behavior, or other experimenter characteristics, e.g., sex, age, race/ethnicity or professional status. More general applications are possible, for example in psychological research such as bias research, or virtual reality research. Potential applications also exist for standardizing clinical research by documenting and communicating instructions used in clinical trials.

Detection/classification/quantification of chemical agents using an array of surface acoustic wave (SAW) devices

NASA Astrophysics Data System (ADS)

Milner, G. Martin

2005-05-01

ChemSentry is a portable system used to detect, identify, and quantify chemical warfare (CW) agents. Electro chemical (EC) cell sensor technology is used for blood agents and an array of surface acoustic wave (SAW) sensors is used for nerve and blister agents. The combination of the EC cell and the SAW array provides sufficient sensor information to detect, classify and quantify all CW agents of concern using smaller, lighter, lower cost units. Initial development of the SAW array and processing was a key challenge for ChemSentry requiring several years of fundamental testing of polymers and coating methods to finalize the sensor array design in 2001. Following the finalization of the SAW array, nearly three (3) years of intensive testing in both laboratory and field environments were required in order to gather sufficient data to fully understand the response characteristics. Virtually unbounded permutations of agent characteristics and environmental characteristics must be considered in order to operate against all agents and all environments of interest to the U.S. military and other potential users of ChemSentry. The resulting signal processing design matched to this extensive body of measured data (over 8,000 agent challenges and 10,000 hours of ambient data) is considered to be a significant advance in state-of-the-art for CW agent detection.

The mass media destabilizes the cultural homogenous regime in Axelrod's model

NASA Astrophysics Data System (ADS)

Peres, Lucas R.; Fontanari, José F.

2010-02-01

An important feature of Axelrod's model for culture dissemination or social influence is the emergence of many multicultural absorbing states, despite the fact that the local rules that specify the agents interactions are explicitly designed to decrease the cultural differences between agents. Here we re-examine the problem of introducing an external, global interaction—the mass media—in the rules of Axelrod's model: in addition to their nearest neighbors, each agent has a certain probability p to interact with a virtual neighbor whose cultural features are fixed from the outset. Most surprisingly, this apparently homogenizing effect actually increases the cultural diversity of the population. We show that, contrary to previous claims in the literature, even a vanishingly small value of p is sufficient to destabilize the homogeneous regime for very large lattice sizes.

Software for Sharing and Management of Information

NASA Technical Reports Server (NTRS)

Chen, James R.; Wolfe, Shawn R.; Wragg, Stephen D.

2003-01-01

DIAMS is a set of computer programs that implements a system of collaborative agents that serve multiple, geographically distributed users communicating via the Internet. DIAMS provides a user interface as a Java applet that runs on each user s computer and that works within the context of the user s Internet-browser software. DIAMS helps all its users to manage, gain access to, share, and exchange information in databases that they maintain on their computers. One of the DIAMS agents is a personal agent that helps its owner find information most relevant to current needs. It provides software tools and utilities for users to manage their information repositories with dynamic organization and virtual views. Capabilities for generating flexible hierarchical displays are integrated with capabilities for indexed- query searching to support effective access to information. Automatic indexing methods are employed to support users queries and communication between agents. The catalog of a repository is kept in object-oriented storage to facilitate sharing of information. Collaboration between users is aided by matchmaker agents and by automated exchange of information. The matchmaker agents are designed to establish connections between users who have similar interests and expertise.

Development and evaluation of web-based animated pedagogical agents for facilitating critical thinking in nursing.

PubMed

Morey, Diane J

2012-01-01

The purpose of this study was to evaluate the effectiveness of Web-based animated pedagogical agents on critical thinking among nursing students. A pedagogical agent or virtual character provides a possible innovative tool for critical thinking through active engagement of students by asking questions and providing feedback about a series of nursing case studies. This mixed methods experimental study used a pretest, posttest design with a control group. ANCOVA demonstrated no significant difference between the groups on the Critical Thinking Process Test. Pre- and post-think-alouds were analyzed using a rating tool and rubric for the presence of eight cognitive processes, level of critical thinking, and for accuracy of nursing diagnosis, conclusions, and evaluation. Chi-square analyses for each group revealed a significant difference for improvement of the critical thinking level and correct conclusions from pre-think-aloud to post-think-aloud, but only the pedagogical agent group had a significant result for appropriate evaluations.

Combination of Multi-Agent Systems and Wireless Sensor Networks for the Monitoring of Cattle

PubMed Central

Barriuso, Alberto L.; De Paz, Juan F.; Lozano, Álvaro

2018-01-01

Precision breeding techniques have been widely used to optimize expenses and increase livestock yields. Notwithstanding, the joint use of heterogeneous sensors and artificial intelligence techniques for the simultaneous analysis or detection of different problems that cattle may present has not been addressed. This study arises from the necessity to obtain a technological tool that faces this state of the art limitation. As novelty, this work presents a multi-agent architecture based on virtual organizations which allows to deploy a new embedded agent model in computationally limited autonomous sensors, making use of the Platform for Automatic coNstruction of orGanizations of intElligent Agents (PANGEA). To validate the proposed platform, different studies have been performed, where parameters specific to each animal are studied, such as physical activity, temperature, estrus cycle state and the moment in which the animal goes into labor. In addition, a set of applications that allow farmers to remotely monitor the livestock have been developed. PMID:29301310

Behavioral Modeling Based on Probabilistic Finite Automata: An Empirical Study.

PubMed

Tîrnăucă, Cristina; Montaña, José L; Ontañón, Santiago; González, Avelino J; Pardo, Luis M

2016-06-24

Imagine an agent that performs tasks according to different strategies. The goal of Behavioral Recognition (BR) is to identify which of the available strategies is the one being used by the agent, by simply observing the agent's actions and the environmental conditions during a certain period of time. The goal of Behavioral Cloning (BC) is more ambitious. In this last case, the learner must be able to build a model of the behavior of the agent. In both settings, the only assumption is that the learner has access to a training set that contains instances of observed behavioral traces for each available strategy. This paper studies a machine learning approach based on Probabilistic Finite Automata (PFAs), capable of achieving both the recognition and cloning tasks. We evaluate the performance of PFAs in the context of a simulated learning environment (in this case, a virtual Roomba vacuum cleaner robot), and compare it with a collection of other machine learning approaches.

Combination of Multi-Agent Systems and Wireless Sensor Networks for the Monitoring of Cattle.

PubMed

Barriuso, Alberto L; Villarrubia González, Gabriel; De Paz, Juan F; Lozano, Álvaro; Bajo, Javier

2018-01-02

Precision breeding techniques have been widely used to optimize expenses and increase livestock yields. Notwithstanding, the joint use of heterogeneous sensors and artificial intelligence techniques for the simultaneous analysis or detection of different problems that cattle may present has not been addressed. This study arises from the necessity to obtain a technological tool that faces this state of the art limitation. As novelty, this work presents a multi-agent architecture based on virtual organizations which allows to deploy a new embedded agent model in computationally limited autonomous sensors, making use of the Platform for Automatic coNstruction of orGanizations of intElligent Agents (PANGEA). To validate the proposed platform, different studies have been performed, where parameters specific to each animal are studied, such as physical activity, temperature, estrus cycle state and the moment in which the animal goes into labor. In addition, a set of applications that allow farmers to remotely monitor the livestock have been developed.

Validation of Individual-Based Markov-Like Stochastic Process Model of Insect Behavior and a “Virtual Farm” Concept for Enhancement of Site-Specific IPM

PubMed Central

Lux, Slawomir A.; Wnuk, Andrzej; Vogt, Heidrun; Belien, Tim; Spornberger, Andreas; Studnicki, Marcin

2016-01-01

The paper reports application of a Markov-like stochastic process agent-based model and a “virtual farm” concept for enhancement of site-specific Integrated Pest Management. Conceptually, the model represents a “bottom-up ethological” approach and emulates behavior of the “primary IPM actors”—large cohorts of individual insects—within seasonally changing mosaics of spatiotemporally complex faming landscape, under the challenge of the local IPM actions. Algorithms of the proprietary PESTonFARM model were adjusted to reflect behavior and ecology of R. cerasi. Model parametrization was based on compiled published information about R. cerasi and the results of auxiliary on-farm experiments. The experiments were conducted on sweet cherry farms located in Austria, Germany, and Belgium. For each farm, a customized model-module was prepared, reflecting its spatiotemporal features. Historical data about pest monitoring, IPM treatments and fruit infestation were used to specify the model assumptions and calibrate it further. Finally, for each of the farms, virtual IPM experiments were simulated and the model-generated results were compared with the results of the real experiments conducted on the same farms. Implications of the findings for broader applicability of the model and the “virtual farm” approach—were discussed. PMID:27602000

Validation of Individual-Based Markov-Like Stochastic Process Model of Insect Behavior and a "Virtual Farm" Concept for Enhancement of Site-Specific IPM.

PubMed

Lux, Slawomir A; Wnuk, Andrzej; Vogt, Heidrun; Belien, Tim; Spornberger, Andreas; Studnicki, Marcin

2016-01-01

The paper reports application of a Markov-like stochastic process agent-based model and a "virtual farm" concept for enhancement of site-specific Integrated Pest Management. Conceptually, the model represents a "bottom-up ethological" approach and emulates behavior of the "primary IPM actors"-large cohorts of individual insects-within seasonally changing mosaics of spatiotemporally complex faming landscape, under the challenge of the local IPM actions. Algorithms of the proprietary PESTonFARM model were adjusted to reflect behavior and ecology of R. cerasi. Model parametrization was based on compiled published information about R. cerasi and the results of auxiliary on-farm experiments. The experiments were conducted on sweet cherry farms located in Austria, Germany, and Belgium. For each farm, a customized model-module was prepared, reflecting its spatiotemporal features. Historical data about pest monitoring, IPM treatments and fruit infestation were used to specify the model assumptions and calibrate it further. Finally, for each of the farms, virtual IPM experiments were simulated and the model-generated results were compared with the results of the real experiments conducted on the same farms. Implications of the findings for broader applicability of the model and the "virtual farm" approach-were discussed.

Hierarchical Task Network Prototyping In Unity3d

DTIC Science & Technology

2016-06-01

visually debug. Here we present a solution for prototyping HTNs by extending an existing commercial implementation of Behavior Trees within the Unity3D game ...HTN, dynamic behaviors, behavior prototyping, agent-based simulation, entity-level combat model, game engine, discrete event simulation, virtual...commercial implementation of Behavior Trees within the Unity3D game engine prior to building the HTN in COMBATXXI. Existing HTNs were emulated within

Research Help

NASA Technical Reports Server (NTRS)

1988-01-01

The Electrosynthesis Co. Inc.'s Electrocinerator System integrates a highly effective air scrubber with an electrochemical cell to provide an apparatus capable of destroying virtually all toxic chemicals and airborne bacteria. Project (funded by DOD) is prospective means of decontaminating airborne chemicals and biological warfare agents. Also has broad civil use applicable to hospitals for destruction of airborne viruses and bacteria, and industrial use for elimination of toxic solvent vapors and malodorous emissions.

Pediatric Susceptibility to Nerve Agent-Induced Seizures and Effectiveness of Anticonvulsant Treatments

DTIC Science & Technology

2014-12-01

poisoning can result in status epilepticus (SE), which can become pharmacoresistant if treatment is delayed. Virtually no data exist on OP-induced...are needed to characterize models of P7 and P14 DFP-induced SE. 15. SUBJECT TERMS Status Epilepticus , seizure, organophosphate, DFP, pediatric...5 Introduction Organophosphate (OP) exposure can lead to continuous, repetitive seizures (i.e., status epilepticus , SE), which are

NASA Virtual Glovebox (VBX): Emerging Simulation Technology for Space Station Experiment Design, Development, Training and Troubleshooting

NASA Technical Reports Server (NTRS)

Smith, Jeffrey D.; Twombly, I. Alexander; Maese, A. Christopher; Cagle, Yvonne; Boyle, Richard

2003-01-01

The International Space Station demonstrates the greatest capabilities of human ingenuity, international cooperation and technology development. The complexity of this space structure is unprecedented; and training astronaut crews to maintain all its systems, as well as perform a multitude of research experiments, requires the most advanced training tools and techniques. Computer simulation and virtual environments are currently used by astronauts to train for robotic arm manipulations and extravehicular activities; but now, with the latest computer technologies and recent successes in areas of medical simulation, the capability exists to train astronauts for more hands-on research tasks using immersive virtual environments. We have developed a new technology, the Virtual Glovebox (VGX), for simulation of experimental tasks that astronauts will perform aboard the Space Station. The VGX may also be used by crew support teams for design of experiments, testing equipment integration capability and optimizing the procedures astronauts will use. This is done through the 3D, desk-top sized, reach-in virtual environment that can simulate the microgravity environment in space. Additional features of the VGX allow for networking multiple users over the internet and operation of tele-robotic devices through an intuitive user interface. Although the system was developed for astronaut training and assisting support crews, Earth-bound applications, many emphasizing homeland security, have also been identified. Examples include training experts to handle hazardous biological and/or chemical agents in a safe simulation, operation of tele-robotic systems for assessing and diffusing threats such as bombs, and providing remote medical assistance to field personnel through a collaborative virtual environment. Thus, the emerging VGX simulation technology, while developed for space- based applications, can serve a dual use facilitating homeland security here on Earth.

Influence of government controls over the currency exchange rate in the evolution of Hurst's exponent: An autonomous agent-based model

NASA Astrophysics Data System (ADS)

Chávez Muñoz, Pablo; Fernandes da Silva, Marcus; Vivas Miranda, José; Claro, Francisco; Gomez Diniz, Raimundo

2007-12-01

We have studied the performance of the Hurst's index associated with the currency exchange rate in Brazil and Chile. It is shown that this index maps the degree of government control in the exchange rate. A model of supply and demand based in an autonomous agent is proposed, that simulates a virtual market of sale and purchase, where buyer or seller are forced to negotiate through an intermediary. According to this model, the average of the price of daily transactions correspond to the theoretical balance proposed by the law of supply and demand. The influence of an added tendency factor is also analyzed.

Investigation of Simulated Trading — A multi agent based trading system for optimization purposes

NASA Astrophysics Data System (ADS)

Schneider, Johannes J.

2010-07-01

Some years ago, Bachem, Hochstättler, and Malich proposed a heuristic algorithm called Simulated Trading for the optimization of vehicle routing problems. Computational agents place buy-orders and sell-orders for customers to be handled at a virtual financial market, the prices of the orders depending on the costs of inserting the customer in the tour or for his removal. According to a proposed rule set, the financial market creates a buy-and-sell graph for the various orders in the order book, intending to optimize the overall system. Here I present a thorough investigation for the application of this algorithm to the traveling salesman problem.

The formation of continuous opinion dynamics based on a gambling mechanism and its sensitivity analysis

NASA Astrophysics Data System (ADS)

Zhu, Yueying; Alexandre Wang, Qiuping; Li, Wei; Cai, Xu

2017-09-01

The formation of continuous opinion dynamics is investigated based on a virtual gambling mechanism where agents fight for a limited resource. We propose a model with agents holding opinions between -1 and 1. Agents are segregated into two cliques according to the sign of their opinions. Local communication happens only when the opinion distance between corresponding agents is no larger than a pre-defined confidence threshold. Theoretical analysis regarding special cases provides a deep understanding of the roles of both the resource allocation parameter and confidence threshold in the formation of opinion dynamics. For a sparse network, the evolution of opinion dynamics is negligible in the region of low confidence threshold when the mindless agents are absent. Numerical results also imply that, in the presence of economic agents, high confidence threshold is required for apparent clustering of agents in opinion. Moreover, a consensus state is generated only when the following three conditions are satisfied simultaneously: mindless agents are absent, the resource is concentrated in one clique, and confidence threshold tends to a critical value(=1.25+2/ka ; k_a>8/3 , the average number of friends of individual agents). For fixed a confidence threshold and resource allocation parameter, the most chaotic steady state of the dynamics happens when the fraction of mindless agents is about 0.7. It is also demonstrated that economic agents are more likely to win at gambling, compared to mindless ones. Finally, the importance of three involved parameters in establishing the uncertainty of model response is quantified in terms of Latin hypercube sampling-based sensitivity analysis.

gWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison.

PubMed

Yan, Xin; Li, Jiabo; Gu, Qiong; Xu, Jun

2014-06-05

Virtual screening of a large chemical library for drug lead identification requires searching/superimposing a large number of three-dimensional (3D) chemical structures. This article reports a graphic processing unit (GPU)-accelerated weighted Gaussian algorithm (gWEGA) that expedites shape or shape-feature similarity score-based virtual screening. With 86 GPU nodes (each node has one GPU card), gWEGA can screen 110 million conformations derived from an entire ZINC drug-like database with diverse antidiabetic agents as query structures within 2 s (i.e., screening more than 55 million conformations per second). The rapid screening speed was accomplished through the massive parallelization on multiple GPU nodes and rapid prescreening of 3D structures (based on their shape descriptors and pharmacophore feature compositions). Copyright © 2014 Wiley Periodicals, Inc.

Monitoring and Detection Platform to Prevent Anomalous Situations in Home Care

PubMed Central

Villarrubia, Gabriel; Bajo, Javier; De Paz, Juan F.; Corchado, Juan M.

2014-01-01

Monitoring and tracking people at home usually requires high cost hardware installations, which implies they are not affordable in many situations. This study/paper proposes a monitoring and tracking system for people with medical problems. A virtual organization of agents based on the PANGEA platform, which allows the easy integration of different devices, was created for this study. In this case, a virtual organization was implemented to track and monitor patients carrying a Holter monitor. The system includes the hardware and software required to perform: ECG measurements, monitoring through accelerometers and WiFi networks. Furthermore, the use of interactive television can moderate interactivity with the user. The system makes it possible to merge the information and facilitates patient tracking efficiently with low cost. PMID:24905853

CV-Muzar - The Virtual Community Environment that Uses Multiagent Systems for Formation of Groups

NASA Astrophysics Data System (ADS)

de Marchi, Ana Carolina Bertoletti; Moraes, Márcia Cristina

The purpose of this chapter is to present two agents' societies responsible for group formation (sub-communities) in CV-Muzar (Augusto Ruschi Zoobotanical Museum Virtual Community of the University of Passo Fundo). These societies are integrated to execute a data mining classification process. The first society is a static society that intends preprocessing data, investigating the information about groups in the CV-Muzar. The second society is a dynamical society that will make a classification process by analyzing the existing groups and look for participants that have common subjects in order to constitute a sub-community. The formation of sub-communities is a new functionality within the CV-Muzar that intends to bring the participants together according to two scopes: interest similarity and knowledge complementarities.

Antibody-Directed Cytotoxic Agents: Use of Monoclonal Antibody to Direct the Action of Toxin A Chains to Colorectal Carcinoma Cells

NASA Astrophysics Data System (ADS)

Gilliland, D. Gary; Steplewski, Zenon; Collier, R. John; Mitchell, Kenneth F.; Chang, Tong H.; Koprowski, Hilary

1980-08-01

We have constructed cell-specific cytotoxic agents by covalently coupling the A chain from diphtheria toxin or ricin toxin to monoclonal antibody directed against a colorectal carcinoma tumor-associated antigen. Antibody 1083-17-1A was modified by attachment of 3-(2-pyridyldithio)propionyl or cystaminyl groups and then treated with reduced A chain to give disulfide-linked conjugates that retained the original binding specificity of the antibody moiety. The conjugates showed cytotoxic activity for colorectal carcinoma cells in culture, but were not toxic in the same concentration range for a variety of cell lines that lacked the antigen. Under defined conditions virtually 100% of antigen-bearing cultured cells were killed, whereas cells that lacked the antigen were not affected. Conjugates containing toxin A chains coupled to monoclonal antibodies may be useful in studying functions of various cell surface components and, possibly, as tumor-specific therapeutic agents.

The media effect in Axelrod's model explained

NASA Astrophysics Data System (ADS)

Peres, L. R.; Fontanari, J. F.

2011-11-01

We revisit the problem of introducing an external global field —the mass media— in Axelrod's model of social dynamics, where in addition to their nearest neighbors, the agents can interact with a virtual neighbor whose cultural features are fixed from the outset. The finding that this apparently homogenizing field actually increases the cultural diversity has been considered a puzzle since the phenomenon was first reported more than a decade ago. Here we offer a simple explanation for it, which is based on the pedestrian observation that Axelrod's model exhibits more cultural diversity, i.e., more distinct cultural domains, when the agents are allowed to interact solely with the media field than when they can interact with their neighbors as well. In this perspective, it is the local homogenizing interactions that work towards making the absorbing configurations less fragmented as compared with the extreme situation in which the agents interact with the media only.

Novel Virtual Screening Approach for the Discovery of Human Tyrosinase Inhibitors

PubMed Central

Ai, Ni; Welsh, William J.; Santhanam, Uma; Hu, Hong; Lyga, John

2014-01-01

Tyrosinase is the key enzyme involved in the human pigmentation process, as well as the undesired browning of fruits and vegetables. Compounds inhibiting tyrosinase catalytic activity are an important class of cosmetic and dermatological agents which show high potential as depigmentation agents used for skin lightening. The multi-step protocol employed for the identification of novel tyrosinase inhibitors incorporated the Shape Signatures computational algorithm for rapid screening of chemical libraries. This algorithm converts the size and shape of a molecule, as well its surface charge distribution and other bio-relevant properties, into compact histograms (signatures) that lend themselves to rapid comparison between molecules. Shape Signatures excels at scaffold hopping across different chemical families, which enables identification of new actives whose molecular structure is distinct from other known actives. Using this approach, we identified a novel class of depigmentation agents that demonstrated promise for skin lightening product development. PMID:25426625

A Spatial Cognitive Map and a Human-Like Memory Model Dedicated to Pedestrian Navigation in Virtual Urban Environments

NASA Astrophysics Data System (ADS)

Thomas, Romain; Donikian, Stéphane

Many articles dealing with agent navigation in an urban environment involve the use of various heuristics. Among them, one is prevalent: the search of the shortest path between two points. This strategy impairs the realism of the resulting behaviour. Indeed, psychological studies state that such a navigation behaviour is conditioned by the knowledge the subject has of its environment. Furthermore, the path a city dweller can follow may be influenced by many factors like his daily habits, or the path simplicity in term of minimum of direction changes. It appeared interesting to us to investigate how to mimic human navigation behavior with an autonomous agent. The solution we propose relies on an architecture based on a generic model of informed environment, a spatial cognitive map model merged with a human-like memory model, representing the agent's temporal knowledge of the environment, it gained along its experiences of navigation.

Novel virtual screening approach for the discovery of human tyrosinase inhibitors.

PubMed

Ai, Ni; Welsh, William J; Santhanam, Uma; Hu, Hong; Lyga, John

2014-01-01

Tyrosinase is the key enzyme involved in the human pigmentation process, as well as the undesired browning of fruits and vegetables. Compounds inhibiting tyrosinase catalytic activity are an important class of cosmetic and dermatological agents which show high potential as depigmentation agents used for skin lightening. The multi-step protocol employed for the identification of novel tyrosinase inhibitors incorporated the Shape Signatures computational algorithm for rapid screening of chemical libraries. This algorithm converts the size and shape of a molecule, as well its surface charge distribution and other bio-relevant properties, into compact histograms (signatures) that lend themselves to rapid comparison between molecules. Shape Signatures excels at scaffold hopping across different chemical families, which enables identification of new actives whose molecular structure is distinct from other known actives. Using this approach, we identified a novel class of depigmentation agents that demonstrated promise for skin lightening product development.

Computational Fluid Dynamics modeling of contrast transport in basilar aneurysms following flow-altering surgeries.

PubMed

Vali, Alireza; Abla, Adib A; Lawton, Michael T; Saloner, David; Rayz, Vitaliy L

2017-01-04

In vivo measurement of blood velocity fields and flow descriptors remains challenging due to image artifacts and limited resolution of current imaging methods; however, in vivo imaging data can be used to inform and validate patient-specific computational fluid dynamics (CFD) models. Image-based CFD can be particularly useful for planning surgical interventions in complicated cases such as fusiform aneurysms of the basilar artery, where it is crucial to alter pathological hemodynamics while preserving flow to the distal vasculature. In this study, patient-specific CFD modeling was conducted for two basilar aneurysm patients considered for surgical treatment. In addition to velocity fields, transport of contrast agent was simulated for the preoperative and postoperative conditions using two approaches. The transport of a virtual contrast passively following the flow streamlines was simulated to predict post-surgical flow regions prone to thrombus deposition. In addition, the transport of a mixture of blood with an iodine-based contrast agent was modeled to compare and verify the CFD results with X-ray angiograms. The CFD-predicted patterns of contrast flow were qualitatively compared to in vivo X-ray angiograms acquired before and after the intervention. The results suggest that the mixture modeling approach, accounting for the flow rates and properties of the contrast injection, is in better agreement with the X-ray angiography data. The virtual contrast modeling assessed the residence time based on flow patterns unaffected by the injection procedure, which makes the virtual contrast modeling approach better suited for prediction of thrombus deposition, which is not limited to the peri-procedural state. Copyright © 2016 Elsevier Ltd. All rights reserved.

Combinatorial support vector machines approach for virtual screening of selective multi-target serotonin reuptake inhibitors from large compound libraries.

PubMed

Shi, Z; Ma, X H; Qin, C; Jia, J; Jiang, Y Y; Tan, C Y; Chen, Y Z

2012-02-01

Selective multi-target serotonin reuptake inhibitors enhance antidepressant efficacy. Their discovery can be facilitated by multiple methods, including in silico ones. In this study, we developed and tested an in silico method, combinatorial support vector machines (COMBI-SVMs), for virtual screening (VS) multi-target serotonin reuptake inhibitors of seven target pairs (serotonin transporter paired with noradrenaline transporter, H(3) receptor, 5-HT(1A) receptor, 5-HT(1B) receptor, 5-HT(2C) receptor, melanocortin 4 receptor and neurokinin 1 receptor respectively) from large compound libraries. COMBI-SVMs trained with 917-1951 individual target inhibitors correctly identified 22-83.3% (majority >31.1%) of the 6-216 dual inhibitors collected from literature as independent testing sets. COMBI-SVMs showed moderate to good target selectivity in misclassifying as dual inhibitors 2.2-29.8% (majority <15.4%) of the individual target inhibitors of the same target pair and 0.58-7.1% of the other 6 targets outside the target pair. COMBI-SVMs showed low dual inhibitor false hit rates (0.006-0.056%, 0.042-0.21%, 0.2-4%) in screening 17 million PubChem compounds, 168,000 MDDR compounds, and 7-8181 MDDR compounds similar to the dual inhibitors. Compared with similarity searching, k-NN and PNN methods, COMBI-SVM produced comparable dual inhibitor yields, similar target selectivity, and lower false hit rate in screening 168,000 MDDR compounds. The annotated classes of many COMBI-SVMs identified MDDR virtual hits correlate with the reported effects of their predicted targets. COMBI-SVM is potentially useful for searching selective multi-target agents without explicit knowledge of these agents. Copyright © 2011 Elsevier Inc. All rights reserved.

Is it the real deal? Perception of virtual characters versus humans: an affective cognitive neuroscience perspective

PubMed Central

de Borst, Aline W.; de Gelder, Beatrice

2015-01-01

Recent developments in neuroimaging research support the increased use of naturalistic stimulus material such as film, avatars, or androids. These stimuli allow for a better understanding of how the brain processes information in complex situations while maintaining experimental control. While avatars and androids are well suited to study human cognition, they should not be equated to human stimuli. For example, the uncanny valley hypothesis theorizes that artificial agents with high human-likeness may evoke feelings of eeriness in the human observer. Here we review if, when, and how the perception of human-like avatars and androids differs from the perception of humans and consider how this influences their utilization as stimulus material in social and affective neuroimaging studies. First, we discuss how the appearance of virtual characters affects perception. When stimuli are morphed across categories from non-human to human, the most ambiguous stimuli, rather than the most human-like stimuli, show prolonged classification times and increased eeriness. Human-like to human stimuli show a positive linear relationship with familiarity. Secondly, we show that expressions of emotions in human-like avatars can be perceived similarly to human emotions, with corresponding behavioral, physiological and neuronal activations, with exception of physical dissimilarities. Subsequently, we consider if and when one perceives differences in action representation by artificial agents versus humans. Motor resonance and predictive coding models may account for empirical findings, such as an interference effect on action for observed human-like, natural moving characters. However, the expansion of these models to explain more complex behavior, such as empathy, still needs to be investigated in more detail. Finally, we broaden our outlook to social interaction, where virtual reality stimuli can be utilized to imitate complex social situations. PMID:26029133

Detection of the antiviral activity of epicatechin isolated from Salacia crassifolia (Celastraceae) against Mayaro virus based on protein C homology modelling and virtual screening.

PubMed

Ferreira, P G; Ferraz, A C; Figueiredo, J E; Lima, C F; Rodrigues, V G; Taranto, A G; Ferreira, J M S; Brandão, G C; Vieira-Filho, S A; Duarte, L P; de Brito Magalhães, C L; de Magalhães, J C

2018-06-01

Mayaro fever, caused by Mayaro virus (MAYV) is a sub-lethal disease with symptoms that are easily confused with those of dengue fever, except for polyarthralgia, which may culminate in physical incapacitation. Recently, outbreaks of MAYV have been documented in metropolitan areas, and to date, there is no therapy or vaccine available. Moreover, there is no information regarding the three-dimensional structure of the viral proteins of MAYV, which is important in the search for antivirals. In this work, we constructed a three-dimensional model of protein C of MAYV by homology modelling, and this was employed in a manner similar to that of receptors in virtual screening studies to evaluate 590 molecules as prospective antiviral agents. In vitro bioassays were utilized to confirm the potential antiviral activity of the flavonoid epicatechin isolated from Salacia crassifolia (Celastraceae). The virtual screening showed that six flavonoids were promising ligands for protein C. The bioassays showed potent antiviral action of epicatechin, which protected the cells from almost all of the effects of viral infection. An effective concentration (EC 50 ) of 0.247 μmol/mL was observed with a selectivity index (SI) of 7. The cytotoxicity assay showed that epicatechin has low toxicity, with a 50% cytotoxic concentration (CC 50 ) greater than 1.723 µmol/mL. Epicatechin was found to be twice as potent as the reference antiviral ribavirin. Furthermore, a replication kinetics assay showed a strong inhibitory effect of epicatechin on MAYV growth, with a reduction of at least four logs in virus production. Our results indicate that epicatechin is a promising candidate for further testing as an antiviral agent against Mayaro virus and other alphaviruses.

Virtual Combinatorial Library Design, Synthesis and In vitro Anticancer Assessment of -2-Amino-3-Cyanopyridine Derivatives.

PubMed

Dev, Sanal; Dhaneshwar, Sunil R; Mathew, Bijo

2018-01-01

For the development of new class of anticancer agents, a series of novel 2-amino-3-cyanopyridine derivatives were designed from virtual screening with Glide program by setting Topoisomerase II as the target. The top ranked ten molecules from the virtual screening were synthesized by microwave assisted technique and investigated for their cytotoxic activity against MCF-7 and A- 549 cell lines by using sulforhodamine B assay method. The most active compound 2-amino-4-(3,5-dibromo-4-hydroxyphenyl)-6-(2,4- dichlorophenyl) nicotinonitrile (CG-5) showed significant cytotoxic profile with (LC50 = 97.1, TGI = 29.9 and GI50 = <0.1 µM) in MCF-7 and (LC50= 93.0, TGI= 50.0 and GI50= <7 µM) in A-549 cell lines. A molecular docking study was performed to explore the binding interaction of CG-5with the active site of Topoisomerase II. It can be concluded that halogen substituent pyridine ring was benefit for cytotoxicity. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Virtual fetal pig dissection as an agent of knowledge acquisition and attitudinal change in female high school biology students

NASA Astrophysics Data System (ADS)

Maloney, Rebecca Scudari

One way to determine if all students can learn through the use of computers is to introduce a lesson taught completely via computers and compare the results with those gained when the same lesson is taught in a traditional manner. This study attempted to determine if a virtual fetal pig dissection can be used as a viable alternative for an actual dissection for females enrolled in high school biology classes by comparing the knowledge acquisition and attitudinal change between the experimental (virtual dissection) and control (actual dissection) groups. Two hundred and twenty-four students enrolled in biology classes in a suburban all-girl parochial high school participated in this study. Female students in an all-girl high school were chosen because research shows differences in science competency and computer usage between the genders that may mask the performance of females on computer-based tasks in a science laboratory exercise. Students who completed the virtual dissection scored significantly higher on practical test and objective tests that were used to measure knowledge acquisition. Attitudinal change was measured by examining the students' attitudes toward dissections, computer usage in the classroom, and toward biology both before and after the dissections using pre and post surveys. Significant results in positive gain scores were found in the virtual dissection group's attitude toward dissections, and their negative gain score toward virtual dissections. Attitudinal changes toward computers and biology were not significant. A purposefully selected sample of the students were interviewed, in addition to gathering a sample of the students' daily dissection journals, as data highlighting their thoughts and feelings about their dissection experience. Further research is suggested to determine if a virtual laboratory experience can be a substitute for actual dissections, or may serve as an enhancement to an actual dissection.

In silico evaluation of gadofosveset pharmacokinetics in different population groups using the Simcyp® simulator platform.

PubMed

Spanakis, Marios; Marias, Kostas

2014-12-01

Gadofosveset is a Gd-based contrast agent used for magnetic resonance imaging (MRI). Gadolinium kinetic distribution models are implemented in T1-weighted dynamic contrast-enhanced perfusion MRI for characterization of lesion sites in the body. Physiology changes in a disease state potentially can influence the pharmacokinetics of drugs and to this respect modify the distribution properties of contrast agents. This work focuses on the in silico modelling of pharmacokinetic properties of gadofosveset in different population groups through the application of physiologically-based pharmacokinetic models (PBPK) embedded in Simcyp® population pharmacokinetics platform. Physicochemical and pharmacokinetic properties of gadofosveset were introduced into Simcyp® simulator platform and a min-PBPK model was applied. In silico clinical trials were generated simulating the administration of the recommended dose for the contrast agent (i.v., 30 mg/kg) in population cohorts of healthy volunteers, obese, renal and liver impairment, and in a generated virtual oncology population. Results were evaluated regarding basic pharmacokinetic parameters of Cmax, AUC and systemic CL and differences were assessed through ANOVA and estimation of ratio of geometric mean between healthy volunteers and the other population groups. Simcyp® predicted a mean Cmax = 551.60 mg/l, a mean AUC = 4079.12 mg/L*h and a mean systemic CL = 0.56 L/h for the virtual population of healthy volunteers. Obese population showed a modulation in Cmax and CL, attributed to increased administered dose. In renal and liver impairment cohorts a significant modulation in Cmax, AUC and CL of gadofosveset is predicted. Oncology population exhibited statistical significant differences regarding AUC when compared with healthy volunteers. This work employed Simcyp® population pharmacokinetics platform in order to compute gadofosveset's pharmacokinetic profiles through PBPK models and in silico clinical trials and evaluate possible differences between population groups. The approach showed promising results that could provide new insights regarding administration of contrast agents in special population cohorts. In silico pharmacokinetics could further be used for evaluating of possible toxicity, interpretation of MRI PK image maps and development of novel contrast agents.

Cooperative vehicles for robust traffic congestion reduction: An analysis based on algorithmic, environmental and agent behavioral factors

PubMed Central

Desai, Prajakta; Desai, Aniruddha

2017-01-01

Traffic congestion continues to be a persistent problem throughout the world. As vehicle-to-vehicle communication develops, there is an opportunity of using cooperation among close proximity vehicles to tackle the congestion problem. The intuition is that if vehicles could cooperate opportunistically when they come close enough to each other, they could, in effect, spread themselves out among alternative routes so that vehicles do not all jam up on the same roads. Our previous work proposed a decentralized multiagent based vehicular congestion management algorithm entitled Congestion Avoidance and Route Allocation using Virtual Agent Negotiation (CARAVAN), wherein the vehicles acting as intelligent agents perform cooperative route allocation using inter-vehicular communication. This paper focuses on evaluating the practical applicability of this approach by testing its robustness and performance (in terms of travel time reduction), across variations in: (a) environmental parameters such as road network topology and configuration; (b) algorithmic parameters such as vehicle agent preferences and route cost/preference multipliers; and (c) agent-related parameters such as equipped/non-equipped vehicles and compliant/non-compliant agents. Overall, the results demonstrate the adaptability and robustness of the decentralized cooperative vehicles approach to providing global travel time reduction using simple local coordination strategies. PMID:28792513

Cooperative vehicles for robust traffic congestion reduction: An analysis based on algorithmic, environmental and agent behavioral factors.

PubMed

Desai, Prajakta; Loke, Seng W; Desai, Aniruddha

2017-01-01

Traffic congestion continues to be a persistent problem throughout the world. As vehicle-to-vehicle communication develops, there is an opportunity of using cooperation among close proximity vehicles to tackle the congestion problem. The intuition is that if vehicles could cooperate opportunistically when they come close enough to each other, they could, in effect, spread themselves out among alternative routes so that vehicles do not all jam up on the same roads. Our previous work proposed a decentralized multiagent based vehicular congestion management algorithm entitled Congestion Avoidance and Route Allocation using Virtual Agent Negotiation (CARAVAN), wherein the vehicles acting as intelligent agents perform cooperative route allocation using inter-vehicular communication. This paper focuses on evaluating the practical applicability of this approach by testing its robustness and performance (in terms of travel time reduction), across variations in: (a) environmental parameters such as road network topology and configuration; (b) algorithmic parameters such as vehicle agent preferences and route cost/preference multipliers; and (c) agent-related parameters such as equipped/non-equipped vehicles and compliant/non-compliant agents. Overall, the results demonstrate the adaptability and robustness of the decentralized cooperative vehicles approach to providing global travel time reduction using simple local coordination strategies.

Effects of ultrasound and ultrasound contrast agent on vascular tissue

PubMed Central

2012-01-01

Background Ultrasound (US) imaging can be enhanced using gas-filled microbubble contrast agents. Strong echo signals are induced at the tissue-gas interface following microbubble collapse. Applications include assessment of ventricular function and virtual histology. Aim While ultrasound and US contrast agents are widely used, their impact on the physiological response of vascular tissue to vasoactive agents has not been investigated in detail. Methods and results In the present study, rat dorsal aortas were treated with US via a clinical imaging transducer in the presence or absence of the US contrast agent, Optison. Aortas treated with both US and Optison were unable to contract in response to phenylephrine or to relax in the presence of acetylcholine. Histology of the arteries was unremarkable. When the treated aortas were stained for endothelial markers, a distinct loss of endothelium was observed. Importantly, terminal deoxynucleotidyl transferase mediated dUTP nick-end-labeling (TUNEL) staining of treated aortas demonstrated incipient apoptosis in the endothelium. Conclusions Taken together, these ex vivo results suggest that the combination of US and Optison may alter arterial integrity and promote vascular injury; however, the in vivo interaction of Optison and ultrasound remains an open question. PMID:22805356

Distributed Object Technology with CORBA and Java: Key Concepts and Implications.

DTIC Science & Technology

1997-06-01

commercial use should be addressed to the SEI Licensing Agent. NO WARRANTY THIS CARNEGIE MELLON UNIVERSITY AND SOFTWARE ENGINEERING INSTITUTE MATERIAL...retrieval. This power is not derived from the language per se, but from the architecture-neutral approach used by Java. The Java Virtual Machine...pattern that is focused on performance considerations, the PCo archi- tecture also uses CORBA interface definition language (IDL) to model the

Impacts of memory on a regular lattice for different population sizes with asynchronous update in spatial snowdrift game

NASA Astrophysics Data System (ADS)

Shu, Feng; Liu, Xingwen; Li, Min

2018-05-01

Memory is an important factor on the evolution of cooperation in spatial structure. For evolutionary biologists, the problem is often how cooperation acts can emerge in an evolving system. In the case of snowdrift game, it is found that memory can boost cooperation level for large cost-to-benefit ratio r, while inhibit cooperation for small r. Thus, how to enlarge the range of r for the purpose of enhancing cooperation becomes a hot issue recently. This paper addresses a new memory-based approach and its core lies in: Each agent applies the given rule to compare its own historical payoffs in a certain memory size, and take the obtained maximal one as virtual payoff. In order to get the optimal strategy, each agent randomly selects one of its neighbours to compare their virtual payoffs, which can lead to the optimal strategy. Both constant-size memory and size-varying memory are investigated by means of a scenario of asynchronous updating algorithm on regular lattices with different sizes. Simulation results show that this approach effectively enhances cooperation level in spatial structure and makes the high cooperation level simultaneously emerge for both small and large r. Moreover, it is discovered that population sizes have a significant influence on the effects of cooperation.

Financial crisis, virtual carbon in global value chains, and the importance of linkage effects. The Spain-china case.

PubMed

López, Luis-Antonio; Arce, Guadalupe; Zafrilla, Jorge

2014-01-01

Trade has a disproportionate environmental impact, while the international fragmentation of production promotes different patterns of intermediate inputs and final goods. Therefore, we split up the balance of domestic embodied emissions in trade (BDEET) to assess it. We find that Spain has a significant emissions deficit with China between 2005 and 2011. The Global Financial Crisis of 2008 reduced Spanish imports of pollution-intensive inputs from China and slightly improved the BDEET. China primarily exports indirect virtual carbon, representing 86% of the total, especially from Production of electricity, gas, and water sector. These linkages effects in China indicate that post-Kyoto agreements must focus not only on traded goods but also on the environmental efficiency of all domestic production chains. The methodology proposed allows us to identify the agents responsible for this trade in both Spain and China, namely the sectors importing intermediate inputs (Construction and Transport equipment) and industries and consumers importing final goods (Textiles, Other manufactures, Computers, and Machinery). The relevant sectors uncertainties found when we compare the results for BDEET and emissions embodied in bilateral trade (BEET) lead us to recommend the former methodology to evaluate the implications of environmental and energy policy for different industries and agents.

Using a cVEP-Based Brain-Computer Interface to Control a Virtual Agent.

PubMed

Riechmann, Hannes; Finke, Andrea; Ritter, Helge

2016-06-01

Brain-computer interfaces provide a means for controlling a device by brain activity alone. One major drawback of noninvasive BCIs is their low information transfer rate, obstructing a wider deployment outside the lab. BCIs based on codebook visually evoked potentials (cVEP) outperform all other state-of-the-art systems in that regard. Previous work investigated cVEPs for spelling applications. We present the first cVEP-based BCI for use in real-world settings to accomplish everyday tasks such as navigation or action selection. To this end, we developed and evaluated a cVEP-based on-line BCI that controls a virtual agent in a simulated, but realistic, 3-D kitchen scenario. We show that cVEPs can be reliably triggered with stimuli in less restricted presentation schemes, such as on dynamic, changing backgrounds. We introduce a novel, dynamic repetition algorithm that allows for optimizing the balance between accuracy and speed individually for each user. Using these novel mechanisms in a 12-command cVEP-BCI in the 3-D simulation results in ITRs of 50 bits/min on average and 68 bits/min maximum. Thus, this work supports the notion of cVEP-BCIs as a particular fast and robust approach suitable for real-world use.

Collaborative enterprise and virtual prototyping (CEVP): a product-centric approach to distributed simulation

NASA Astrophysics Data System (ADS)

Saunders, Vance M.

1999-06-01

The downsizing of the Department of Defense (DoD) and the associated reduction in budgets has re-emphasized the need for commonality, reuse, and standards with respect to the way DoD does business. DoD has implemented significant changes in how it buys weapon systems. The new emphasis is on concurrent engineering with Integrated Product and Process Development and collaboration with Integrated Product Teams. The new DoD vision includes Simulation Based Acquisition (SBA), a process supported by robust, collaborative use of simulation technology that is integrated across acquisition phases and programs. This paper discusses the Air Force Research Laboratory's efforts to use Modeling and Simulation (M&S) resources within a Collaborative Enterprise Environment to support SBA and other Collaborative Enterprise and Virtual Prototyping (CEVP) applications. The paper will discuss four technology areas: (1) a Processing Ontology that defines a hierarchically nested set of collaboration contexts needed to organize and support multi-disciplinary collaboration using M&S, (2) a partial taxonomy of intelligent agents needed to manage different M&S resource contributions to advancing the state of product development, (3) an agent- based process for interfacing disparate M&S resources into a CEVP framework, and (4) a Model-View-Control based approach to defining `a new way of doing business' for users of CEVP frameworks/systems.

Virtual screening of selective multitarget kinase inhibitors by combinatorial support vector machines.

PubMed

Ma, X H; Wang, R; Tan, C Y; Jiang, Y Y; Lu, T; Rao, H B; Li, X Y; Go, M L; Low, B C; Chen, Y Z

2010-10-04

Multitarget agents have been increasingly explored for enhancing efficacy and reducing countertarget activities and toxicities. Efficient virtual screening (VS) tools for searching selective multitarget agents are desired. Combinatorial support vector machines (C-SVM) were tested as VS tools for searching dual-inhibitors of 11 combinations of 9 anticancer kinase targets (EGFR, VEGFR, PDGFR, Src, FGFR, Lck, CDK1, CDK2, GSK3). C-SVM trained on 233-1,316 non-dual-inhibitors correctly identified 26.8%-57.3% (majority >36%) of the 56-230 intra-kinase-group dual-inhibitors (equivalent to the 50-70% yields of two independent individual target VS tools), and 12.2% of the 41 inter-kinase-group dual-inhibitors. C-SVM were fairly selective in misidentifying as dual-inhibitors 3.7%-48.1% (majority <20%) of the 233-1,316 non-dual-inhibitors of the same kinase pairs and 0.98%-4.77% of the 3,971-5,180 inhibitors of other kinases. C-SVM produced low false-hit rates in misidentifying as dual-inhibitors 1,746-4,817 (0.013%-0.036%) of the 13.56 M PubChem compounds, 12-175 (0.007%-0.104%) of the 168 K MDDR compounds, and 0-84 (0.0%-2.9%) of the 19,495-38,483 MDDR compounds similar to the known dual-inhibitors. C-SVM was compared to other VS methods Surflex-Dock, DOCK Blaster, kNN and PNN against the same sets of kinase inhibitors and the full set or subset of the 1.02 M Zinc clean-leads data set. C-SVM produced comparable dual-inhibitor yields, slightly better false-hit rates for kinase inhibitors, and significantly lower false-hit rates for the Zinc clean-leads data set. Combinatorial SVM showed promising potential for searching selective multitarget agents against intra-kinase-group kinases without explicit knowledge of multitarget agents.

Clinical Virtual Reality tools to advance the prevention, assessment, and treatment of PTSD.

PubMed

Rizzo, Albert 'Skip'; Shilling, Russell

2017-01-01

Numerous reports indicate that the incidence of posttraumatic stress disorder (PTSD) in Operation Enduring Freedom/Operation Iraqi Freedom/Operation New Dawn (OEF/OIF/OND) military personnel has created a significant behavioural healthcare challenge. These findings have served to motivate research on how to better develop and disseminate evidence-based treatments for PTSD. The current article presents the use of Virtual Reality (VR) as a clinical tool to address the assessment, prevention, and treatment of PTSD, based on the VR projects that were evolved at the University of Southern California Institute for Creative Technologies since 2004. A brief discussion of the definition and rationale for the clinical use of VR is followed by a description of a VR application designed for the delivery of prolonged exposure (PE) for treating Service Members (SMs) and Veterans with combat- and sexual assault-related PTSD. The expansion of the virtual treatment simulations of Iraq and Afghanistan for PTSD assessment and prevention is then presented. This is followed by a forward-looking discussion that details early efforts to develop virtual human agent systems that serve the role of virtual patients for training the next generation of clinical providers, as healthcare guides that can be used to support anonymous access to trauma-relevant behavioural healthcare information, and as clinical interviewers capable of automated behaviour analysis of users to infer psychological state. The paper will conclude with a discussion of VR as a tool for breaking down barriers to care in addition to its direct application in assessment and intervention.

Virtual Reality Model of the Three-Dimensional Anatomy of the Cavernous Sinus Based on a Cadaveric Image and Dissection.

PubMed

Qian, Zeng-Hui; Feng, Xu; Li, Yang; Tang, Ke

2018-01-01

Studying the three-dimensional (3D) anatomy of the cavernous sinus is essential for treating lesions in this region with skull base surgeries. Cadaver dissection is a conventional method that has insurmountable flaws with regard to understanding spatial anatomy. The authors' research aimed to build an image model of the cavernous sinus region in a virtual reality system to precisely, individually and objectively elucidate the complete and local stereo-anatomy. Computed tomography and magnetic resonance imaging scans were performed on 5 adult cadaver heads. Latex mixed with contrast agent was injected into the arterial system and then into the venous system. Computed tomography scans were performed again following the 2 injections. Magnetic resonance imaging scans were performed again after the cranial nerves were exposed. Image data were input into a virtual reality system to establish a model of the cavernous sinus. Observation results of the image models were compared with those of the cadaver heads. Visualization of the cavernous sinus region models built using the virtual reality system was good for all the cadavers. High resolutions were achieved for the images of different tissues. The observed results were consistent with those of the cadaver head. The spatial architecture and modality of the cavernous sinus were clearly displayed in the 3D model by rotating the model and conveniently changing its transparency. A 3D virtual reality model of the cavernous sinus region is helpful for globally and objectively understanding anatomy. The observation procedure was accurate, convenient, noninvasive, and time and specimen saving.

Clinical Virtual Reality tools to advance the prevention, assessment, and treatment of PTSD

PubMed Central

Rizzo, Albert ‘Skip’; Shilling, Russell

2017-01-01

ABSTRACT Numerous reports indicate that the incidence of posttraumatic stress disorder (PTSD) in Operation Enduring Freedom/Operation Iraqi Freedom/Operation New Dawn (OEF/OIF/OND) military personnel has created a significant behavioural healthcare challenge. These findings have served to motivate research on how to better develop and disseminate evidence-based treatments for PTSD. The current article presents the use of Virtual Reality (VR) as a clinical tool to address the assessment, prevention, and treatment of PTSD, based on the VR projects that were evolved at the University of Southern California Institute for Creative Technologies since 2004. A brief discussion of the definition and rationale for the clinical use of VR is followed by a description of a VR application designed for the delivery of prolonged exposure (PE) for treating Service Members (SMs) and Veterans with combat- and sexual assault-related PTSD. The expansion of the virtual treatment simulations of Iraq and Afghanistan for PTSD assessment and prevention is then presented. This is followed by a forward-looking discussion that details early efforts to develop virtual human agent systems that serve the role of virtual patients for training the next generation of clinical providers, as healthcare guides that can be used to support anonymous access to trauma-relevant behavioural healthcare information, and as clinical interviewers capable of automated behaviour analysis of users to infer psychological state. The paper will conclude with a discussion of VR as a tool for breaking down barriers to care in addition to its direct application in assessment and intervention. PMID:29372007

Lead Discovery Strategies for Identification of Chlamydia pneumoniae Inhibitors.

PubMed

Hanski, Leena; Vuorela, Pia

2016-11-28

Throughout its known history, the gram-negative bacterium Chlamydia pneumoniae has remained a challenging target for antibacterial chemotherapy and drug discovery. Owing to its well-known propensity for persistence and recent reports on antimicrobial resistence within closely related species, new approaches for targeting this ubiquitous human pathogen are urgently needed. In this review, we describe the strategies that have been successfully applied for the identification of nonconventional antichlamydial agents, including target-based and ligand-based virtual screening, ethnopharmacological approach and pharmacophore-based design of antimicrobial peptide-mimicking compounds. Among the antichlamydial agents identified via these strategies, most translational work has been carried out with plant phenolics. Thus, currently available data on their properties as antichlamydial agents are described, highlighting their potential mechanisms of action. In this context, the role of mitogen-activated protein kinase activation in the intracellular growth and survival of C . pneumoniae is discussed. Owing to the complex and often complementary pathways applied by C. pneumoniae in the different stages of its life cycle, multitargeted therapy approaches are expected to provide better tools for antichlamydial therapy than agents with a single molecular target.

Lead Discovery Strategies for Identification of Chlamydia pneumoniae Inhibitors

PubMed Central

Hanski, Leena; Vuorela, Pia

2016-01-01

Throughout its known history, the gram-negative bacterium Chlamydia pneumoniae has remained a challenging target for antibacterial chemotherapy and drug discovery. Owing to its well-known propensity for persistence and recent reports on antimicrobial resistence within closely related species, new approaches for targeting this ubiquitous human pathogen are urgently needed. In this review, we describe the strategies that have been successfully applied for the identification of nonconventional antichlamydial agents, including target-based and ligand-based virtual screening, ethnopharmacological approach and pharmacophore-based design of antimicrobial peptide-mimicking compounds. Among the antichlamydial agents identified via these strategies, most translational work has been carried out with plant phenolics. Thus, currently available data on their properties as antichlamydial agents are described, highlighting their potential mechanisms of action. In this context, the role of mitogen-activated protein kinase activation in the intracellular growth and survival of C. pneumoniae is discussed. Owing to the complex and often complementary pathways applied by C. pneumoniae in the different stages of its life cycle, multitargeted therapy approaches are expected to provide better tools for antichlamydial therapy than agents with a single molecular target. PMID:27916800

The diversity of antimicrobial resistance genes among staphylococci of animal origin.

PubMed

Wendlandt, Sarah; Feßler, Andrea T; Monecke, Stefan; Ehricht, Ralf; Schwarz, Stefan; Kadlec, Kristina

2013-08-01

Staphylococci of animal origin harbor a wide variety of resistance genes. So far, more than 40 different resistance genes have been identified in staphylococci from animals. This includes genes that confer resistance to virtually all classes of antimicrobial agents approved for use in animals, such as penicillins, cephalosporins, tetracyclines, macrolides, lincosamides, phenicols, aminoglycosides, aminocyclitols, pleuromutilins, and diaminopyrimidines. The gene products of some of these resistance genes confer resistance to only specific members of a class of antimicrobial agents, whereas others confer resistance to the entire class or even to members of different classes of antimicrobial agents. The resistance mechanisms specified by the resistance genes fall into three major categories: (i) enzymatic inactivation, (ii) active efflux, or (iii) protection/modification/replacement of the cellular target sites of the antimicrobial agents. Mobile genetic elements, in particular plasmids and transposons, play a major role as carriers of antimicrobial resistance genes in animal staphylococci. They facilitate the exchange of resistance genes with staphylococci of human origin but also with other Gram-positive bacteria. Copyright © 2013 Elsevier GmbH. All rights reserved.

Amphetamines and pH-shift agents for brain imaging

DOE Office of Scientific and Technical Information (OSTI.GOV)

Biersack, H.J.; Winkler, C.

1986-01-01

This book gives a review of the results of experimental and clinical research on both I-amphetamine derivatives and pH-shift agents. Virtually all relevant working groups from the USA and Europe have contributed to this volume. The pharmacology of amphetamine and the corresponding receptor theories are described in detail, whereas other chapters deal with the labeling as well as the metabolic process of this drug. In addition to this, new amphetamine derivatives are presented together with other essential products which play a significant role in scintigraphy of the brain function. Finally, there are two chapters on instrumentation problems followed by eightmore » contributions on the clinical results of amphetamine scintigraphy in cerebral vascular diseases, epilepsy, migraine and brain tumors.« less

Emotions are emergent processes: they require a dynamic computational architecture

PubMed Central

Scherer, Klaus R.

2009-01-01

Emotion is a cultural and psychobiological adaptation mechanism which allows each individual to react flexibly and dynamically to environmental contingencies. From this claim flows a description of the elements theoretically needed to construct a virtual agent with the ability to display human-like emotions and to respond appropriately to human emotional expression. This article offers a brief survey of the desirable features of emotion theories that make them ideal blueprints for agent models. In particular, the component process model of emotion is described, a theory which postulates emotion-antecedent appraisal on different levels of processing that drive response system patterning predictions. In conclusion, investing seriously in emergent computational modelling of emotion using a nonlinear dynamic systems approach is suggested. PMID:19884141

Evolutionary Paths to Corrupt Societies of Artificial Agents

NASA Astrophysics Data System (ADS)

Nasrallah, Walid

Virtual corrupt societies can be defined as groups of interacting computer-generated agents who predominantly choose behavior that gives short term personal gain at the expense of a higher aggregate cost to others. This paper focuses on corrupt societies that, unlike published models in which cooperation must evolve in order for the society to continue to survive, do not naturally die out as the corrupt class siphons off the resources. For example, a very computationally simple strategy of avoiding confrontation can allow a majority of "unethical" individuals to survive off the efforts of an "ethical" but productive minority. Analogies are drawn to actual human societies in which similar conditions gave rise to behavior traditionally defined as economic or political corruption.

Modeling the Ebolavirus Life Cycle with Transcription and Replication-Competent Viruslike Particle Assays.

PubMed

Biedenkopf, Nadine; Hoenen, Thomas

2017-01-01

Ebolaviruses are the causative agent of a severe hemorrhagic fever with high case fatality rates, for which no approved specific therapy is available. As biosafety level 4 (BSL4) agents, work with live ebolaviruses is restricted to maximum containment laboratories. Transcription and replication-competent viruslike particle (trVLP) systems are reverse genetics-based life cycle modeling systems that allow researchers to model virtually the entire ebolavirus life cycle outside of a maximum containment laboratory. These systems can be used to dissect the virus life cycle, and thus increase our understanding of virus biology, as well as for more applied uses such as the screening and development of novel antivirals, and thus represent powerful tools for work on ebolaviruses.

Immersive Virtual Reality with Applications to Tele-Operation and Training

DTIC Science & Technology

2016-03-07

to design accurate models for the control of a remote agent by retargeting human gestures (or body part movements) on the control structure of the...which is designed to co-operate with human inhabitants will need to posses, on some levels, a theory of mind [20]. This will enable the system to...University of Houston-Victoria, a designated Hispanic Serving Institution of higher education. The requested equipment and instrumentation will be

Applications for Mission Operations Using Multi-agent Model-based Instructional Systems with Virtual Environments

NASA Technical Reports Server (NTRS)

Clancey, William J.

2004-01-01

This viewgraph presentation provides an overview of past and possible future applications for artifical intelligence (AI) in astronaut instruction and training. AI systems have been used in training simulation for the Hubble Space Telescope repair, the International Space Station, and operations simulation for the Mars Exploration Rovers. In the future, robots such as may work as partners with astronauts on missions such as planetary exploration and extravehicular activities.

Electric Conduction in Solids: a Pedagogical Approach Supported by Laboratory Measurements and Computer Modelling Environments

NASA Astrophysics Data System (ADS)

Bonura, A.; Capizzo, M. C.; Fazio, C.; Guastella, I.

2008-05-01

In this paper we present a pedagogic approach aimed at modeling electric conduction in semiconductors, built by using NetLogo, a programmable modeling environment for building and exploring multi-agent systems. `Virtual experiments' are implemented to confront predictions of different microscopic models with real measurements of electric properties of matter, such as resistivity. The relations between these electric properties and other physical variables, like temperature, are, then, analyzed.

Reconsidering the safety in numbers effect for vulnerable road users: an application of agent-based modeling.

PubMed

Thompson, Jason; Savino, Giovanni; Stevenson, Mark

2015-01-01

Increasing levels of active transport provide benefits in relation to chronic disease and emissions reduction but may be associated with an increased risk of road trauma. The safety in numbers (SiN) effect is often regarded as a solution to this issue; however, the mechanisms underlying its influence are largely unknown. We aimed to (1) replicate the SiN effect within a simple, simulated environment and (2) vary bicycle density within the environment to better understand the circumstances under which SiN applies. Using an agent-based modeling approach, we constructed a virtual transport system that increased the number of bicycles from 9% to 35% of total vehicles over a period of 1,000 time units while holding the number of cars in the system constant. We then repeated this experiment under conditions of progressively decreasing bicycle density. We demonstrated that the SiN effect can be reproduced in a virtual environment, closely approximating the exponential relationships between cycling numbers and the relative risk of collision as shown in observational studies. The association, however, was highly contingent upon bicycle density. The relative risk of collisions between cars and bicycles with increasing bicycle numbers showed an association that is progressively linear at decreasing levels of density. Agent-based modeling may provide a useful tool for understanding the mechanisms underpinning the relationships previously observed between volume and risk under the assumptions of SiN. The SiN effect may apply only under circumstances in which bicycle density also increases over time. Additional mechanisms underpinning the SiN effect, independent of behavioral adjustment by drivers, are explored.

Modeling of a production system using the multi-agent approach

NASA Astrophysics Data System (ADS)

Gwiazda, A.; Sękala, A.; Banaś, W.

2017-08-01

The method that allows for the analysis of complex systems is a multi-agent simulation. The multi-agent simulation (Agent-based modeling and simulation - ABMS) is modeling of complex systems consisting of independent agents. In the case of the model of the production system agents may be manufactured pieces set apart from other types of agents like machine tools, conveyors or replacements stands. Agents are magazines and buffers. More generally speaking, the agents in the model can be single individuals, but you can also be defined as agents of collective entities. They are allowed hierarchical structures. It means that a single agent could belong to a certain class. Depending on the needs of the agent may also be a natural or physical resource. From a technical point of view, the agent is a bundle of data and rules describing its behavior in different situations. Agents can be autonomous or non-autonomous in making the decision about the types of classes of agents, class sizes and types of connections between elements of the system. Multi-agent modeling is a very flexible technique for modeling and model creating in the convention that could be adapted to any research problem analyzed from different points of views. One of the major problems associated with the organization of production is the spatial organization of the production process. Secondly, it is important to include the optimal scheduling. For this purpose use can approach multi-purposeful. In this regard, the model of the production process will refer to the design and scheduling of production space for four different elements. The program system was developed in the environment NetLogo. It was also used elements of artificial intelligence. The main agent represents the manufactured pieces that, according to previously assumed rules, generate the technological route and allow preprint the schedule of that line. Machine lines, reorientation stands, conveyors and transport devices also represent the other type of agent that are utilized in the described simulation. The article presents the idea of an integrated program approach and shows the resulting production layout as a virtual model. This model was developed in the NetLogo multi-agent program environment.

Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions.

PubMed

Sedykh, Alexander; Fourches, Denis; Duan, Jianmin; Hucke, Oliver; Garneau, Michel; Zhu, Hao; Bonneau, Pierre; Tropsha, Alexander

2013-04-01

Membrane transporters mediate many biological effects of chemicals and play a major role in pharmacokinetics and drug resistance. The selection of viable drug candidates among biologically active compounds requires the assessment of their transporter interaction profiles. Using public sources, we have assembled and curated the largest, to our knowledge, human intestinal transporter database (>5,000 interaction entries for >3,700 molecules). This data was used to develop thoroughly validated classification Quantitative Structure-Activity Relationship (QSAR) models of transport and/or inhibition of several major transporters including MDR1, BCRP, MRP1-4, PEPT1, ASBT, OATP2B1, OCT1, and MCT1. QSAR models have been developed with advanced machine learning techniques such as Support Vector Machines, Random Forest, and k Nearest Neighbors using Dragon and MOE chemical descriptors. These models afforded high external prediction accuracies of 71-100% estimated by 5-fold external validation, and showed hit retrieval rates with up to 20-fold enrichment in the virtual screening of DrugBank compounds. The compendium of predictive QSAR models developed in this study can be used for virtual profiling of drug candidates and/or environmental agents with the optimal transporter profiles.

It Takes a (Virtual) Village: Exploring the Role of a Career Community to Support Sensemaking As a Proactive Socialization Practice.

PubMed

Good, Darren; Cavanagh, Kevin

2017-01-01

Scholars have long advocated for individuals to play a more proactive role during organizational entry rather than relying on institutionally led processes. The primary benefit being that the newcomer moves from passive recipient, dependent on the institution to highlight relevant information, to active agent with self-determined sources and methods to aid in adjustment. A virtual career community made up of 12 first year business faculty members was created to provide such a self-determined source of support during the transition from doctoral studies to full-time assistant professorship. After the entry period (1 academic year), the interactions in this community were used as data for a phenomenon driven research study. The results illustrate how a virtual career community could be used as a proactive socialization tool by encouraging sensemaking amongst first year faculty peers. The sensemaking process consists of perceived contrasts and tensions, followed by positive and negative self-disclosures, community feedback, and the experience of cognitive-behavioral shifts. The findings also expand the proactive use of external referents during organizational entry, which previously had only looked at friends and family members of the newcomer.

Augmented reality for breast imaging.

PubMed

Rancati, Alberto; Angrigiani, Claudio; Nava, Maurizio B; Catanuto, Giuseppe; Rocco, Nicola; Ventrice, Fernando; Dorr, Julio

2018-06-01

Augmented reality (AR) enables the superimposition of virtual reality reconstructions onto clinical images of a real patient, in real time. This allows visualization of internal structures through overlying tissues, thereby providing a virtual transparency vision of surgical anatomy. AR has been applied to neurosurgery, which utilizes a relatively fixed space, frames, and bony references; the application of AR facilitates the relationship between virtual and real data. Augmented breast imaging (ABI) is described. Breast MRI studies for breast implant patients with seroma were performed using a Siemens 3T system with a body coil and a four-channel bilateral phased-array breast coil as the transmitter and receiver, respectively. Gadolinium was injected as a contrast agent (0.1 mmol/kg at 2 mL/s) using a programmable power injector. Dicom formatted images data from 10 MRI cases of breast implant seroma and 10 MRI cases with T1-2 N0 M0 breast cancer, were imported and transformed into augmented reality images. ABI demonstrated stereoscopic depth perception, focal point convergence, 3D cursor use, and joystick fly-through. ABI can improve clinical outcomes, providing an enhanced view of the structures to work on. It should be further studied to determine its utility in clinical practice.

It Takes a (Virtual) Village: Exploring the Role of a Career Community to Support Sensemaking As a Proactive Socialization Practice

PubMed Central

Good, Darren; Cavanagh, Kevin

2017-01-01

Scholars have long advocated for individuals to play a more proactive role during organizational entry rather than relying on institutionally led processes. The primary benefit being that the newcomer moves from passive recipient, dependent on the institution to highlight relevant information, to active agent with self-determined sources and methods to aid in adjustment. A virtual career community made up of 12 first year business faculty members was created to provide such a self-determined source of support during the transition from doctoral studies to full-time assistant professorship. After the entry period (1 academic year), the interactions in this community were used as data for a phenomenon driven research study. The results illustrate how a virtual career community could be used as a proactive socialization tool by encouraging sensemaking amongst first year faculty peers. The sensemaking process consists of perceived contrasts and tensions, followed by positive and negative self-disclosures, community feedback, and the experience of cognitive-behavioral shifts. The findings also expand the proactive use of external referents during organizational entry, which previously had only looked at friends and family members of the newcomer. PMID:28220088

Investigating the Use of Cloudbursts for High-Throughput Medical Image Registration

PubMed Central

Kim, Hyunjoo; Parashar, Manish; Foran, David J.; Yang, Lin

2010-01-01

This paper investigates the use of clouds and autonomic cloudbursting to support a medical image registration. The goal is to enable a virtual computational cloud that integrates local computational environments and public cloud services on-the-fly, and support image registration requests from different distributed researcher groups with varied computational requirements and QoS constraints. The virtual cloud essentially implements shared and coordinated task-spaces, which coordinates the scheduling of jobs submitted by a dynamic set of research groups to their local job queues. A policy-driven scheduling agent uses the QoS constraints along with performance history and the state of the resources to determine the appropriate size and mix of the public and private cloud resource that should be allocated to a specific request. The virtual computational cloud and the medical image registration service have been developed using the CometCloud engine and have been deployed on a combination of private clouds at Rutgers University and the Cancer Institute of New Jersey and Amazon EC2. An experimental evaluation is presented and demonstrates the effectiveness of autonomic cloudbursts and policy-based autonomic scheduling for this application. PMID:20640235

Vitual screening and binding mode elucidation of curcumin analogues on Cyclooxygenase-2 using AYO_COX2_V1.1 protocol

NASA Astrophysics Data System (ADS)

Mulatsari, E.; Mumpuni, E.; Herfian, A.

2017-05-01

Curcumin is yellow colored phenolic compounds contained in Curcuma longa. Curcumin is known to have biological activities as anti-inflammatory, antiviral, antioxidant, and anti-infective agent [1]. Synthesis of curcumin analogue compounds has been done and some of them had biological activity like curcumin. In this research, the virtual screening of curcumin analogue compounds has been conducted. The purpose of this research was to determine the activity of these compounds as selective Cyclooxygenase-2inhibitors in in-silico. Binding mode elucidation was made by active and inactive representative compounds to see the interaction of the amino acids in the binding site of the compounds. This research used AYO_COX2_V.1.1, a structure-based virtual screening protocol (SBVS) that has been validated by Mumpuni E et al, 2014 [2]. AYO_COX2_V.1.1 protocol using a variety of integrated applications such as SPORES, PLANTS, BKchem, OpenBabel and PyMOL. The results of virtual screening conducted on 49 curcumin analogue compounds obtained 8 compounds with 4 active amino acid residues (GLY340, ILE503, PHE343, and PHE367) that were considered active as COX-2 inhibitor.

The next generation of sepsis trials: What’s next after the demise of recombinant human activated Protein C?

PubMed Central

Opal, Steven M.; Dellinger, R. Phillip; Vincent, Jean-Louis; Masur, Henry; Angus, Derek C.

2014-01-01

Progress in the development of novel therapeutics to treat sepsis has come to virtual standstill. While enormous strides have been made in the understanding of basic molecular mechanisms that underlie the pathophysiology of sepsis, a distressingly long list of novel therapeutic agents have been tested in large clinical trials over the past 25 years without a single, specific, immunomodulating agent showing consistent benefit in sepsis trials. The only novel anti-sepsis agent to successfully complete a phase 3 sepsis trial, human recombinant activated protein C, was recently taken off the market after a follow up placebo-controlled trial (PROWESS SHOCK) failed to replicate the results of the initial registration trial (PROWESS) performed 10 yr earlier. We must critically re-examine our basic approach in the preclinical and clinical evaluation of new sepsis therapies. We propose 12 specific recommendations that if implemented could improve the outlook for developing new drugs for sepsis. PMID:24717456

Distributed adaptive neural network control for a class of heterogeneous nonlinear multi-agent systems subject to actuation failures

NASA Astrophysics Data System (ADS)

Cui, Bing; Zhao, Chunhui; Ma, Tiedong; Feng, Chi

2017-02-01

In this paper, the cooperative adaptive consensus tracking problem for heterogeneous nonlinear multi-agent systems on directed graph is addressed. Each follower is modelled as a general nonlinear system with the unknown and nonidentical nonlinear dynamics, disturbances and actuator failures. Cooperative fault tolerant neural network tracking controllers with online adaptive learning features are proposed to guarantee that all agents synchronise to the trajectory of one leader with bounded adjustable synchronisation errors. With the help of linear quadratic regulator-based optimal design, a graph-dependent Lyapunov proof provides error bounds that depend on the graph topology, one virtual matrix and some design parameters. Of particular interest is that if the control gain is selected appropriately, the proposed control scheme can be implemented in a unified framework no matter whether there are faults or not. Furthermore, the fault detection and isolation are not needed to implement. Finally, a simulation is given to verify the effectiveness of the proposed method.

Big two personality and big three mate preferences: similarity attracts, but country-level mate preferences crucially matter.

PubMed

Gebauer, Jochen E; Leary, Mark R; Neberich, Wiebke

2012-12-01

People differ regarding their "Big Three" mate preferences of attractiveness, status, and interpersonal warmth. We explain these differences by linking them to the "Big Two" personality dimensions of agency/competence and communion/warmth. The similarity-attracts hypothesis predicts that people high in agency prefer attractiveness and status in mates, whereas those high in communion prefer warmth. However, these effects may be moderated by agentics' tendency to contrast from ambient culture, and communals' tendency to assimilate to ambient culture. Attending to such agentic-cultural-contrast and communal-cultural-assimilation crucially qualifies the similarity-attracts hypothesis. Data from 187,957 online-daters across 11 countries supported this model for each of the Big Three. For example, agentics-more so than communals-preferred attractiveness, but this similarity-attracts effect virtually vanished in attractiveness-valuing countries. This research may reconcile inconsistencies in the literature while utilizing nonhypothetical and consequential mate preference reports that, for the first time, were directly linked to mate choice.

The comparison of the use of holonic and agent-based methods in modelling of manufacturing systems

NASA Astrophysics Data System (ADS)

Foit, K.; Banaś, W.; Gwiazda, A.; Hryniewicz, P.

2017-08-01

The rapid evolution in the field of industrial automation and manufacturing is often called the 4th Industry Revolution. Worldwide availability of the internet access contributes to the competition between manufacturers, gives the opportunity for buying materials, parts and for creating the partnership networks, like cloud manufacturing, grid manufacturing (MGrid), virtual enterprises etc. The effect of the industry evolution is the need to search for new solutions in the field of manufacturing systems modelling and simulation. During the last decade researchers have developed the agent-based approach of modelling. This methodology have been taken from the computer science, but was adapted to the philosophy of industrial automation and robotization. The operation of the agent-based system depends on the simultaneous acting of different agents that may have different roles. On the other hand, there is the holon-based approach that uses the structures created by holons. It differs from the agent-based structure in some aspects, while the other ones are quite similar in both methodologies. The aim of this paper is to present the both methodologies and discuss the similarities and the differences. This may could help to select the optimal method of modelling, according to the considered problem and software resources.

Fusing terrain and goals: agent control in urban environments

NASA Astrophysics Data System (ADS)

Kaptan, Varol; Gelenbe, Erol

2006-04-01

The changing face of contemporary military conflicts has forced a major shift of focus in tactical planning and evaluation from the classical Cold War battlefield to an asymmetric guerrilla-type warfare in densely populated urban areas. The new arena of conflict presents unique operational difficulties due to factors like complex mobility restrictions and the necessity to preserve civilian lives and infrastructure. In this paper we present a novel method for autonomous agent control in an urban environment. Our approach is based on fusing terrain information and agent goals for the purpose of transforming the problem of navigation in a complex environment with many obstacles into the easier problem of navigation in a virtual obstacle-free space. The main advantage of our approach is its ability to act as an adapter layer for a number of efficient agent control techniques which normally show poor performance when applied to an environment with many complex obstacles. Because of the very low computational and space complexity at runtime, our method is also particularly well suited for simulation or control of a huge number of agents (military as well as civilian) in a complex urban environment where traditional path-planning may be too expensive or where a just-in-time decision with hard real-time constraints is required.

Evaluating mice lacking serum carboxylesterase as a behavioral model for nerve agent intoxication.

PubMed

Dunn, Emily N; Ferrara-Bowens, Teresa M; Chachich, Mark E; Honnold, Cary L; Rothwell, Cristin C; Hoard-Fruchey, Heidi M; Lesyna, Catherine A; Johnson, Erik A; Cerasoli, Douglas M; McDonough, John H; Cadieux, C Linn

2018-06-07

Mice and other rodents are typically utilized for chemical warfare nerve agent research. Rodents have large amounts of carboxylesterase in their blood, while humans do not. Carboxylesterase nonspecifically binds to and detoxifies nerve agent. The presence of this natural bioscavenger makes mice and other rodents poor models for studies identifying therapeutics to treat humans exposed to nerve agents. To obviate this problem, a serum carboxylesterase knockout (Es1 KO) mouse was created. In this study, Es1 KO and wild type (WT) mice were assessed for differences in gene expression, nerve agent (soman; GD) median lethal dose (MLD) values, and behavior prior to and following nerve agent exposure. No expression differences were detected between Es1 KO and WT mice in more than 34 000 mouse genes tested. There was a significant difference between Es1 KO and WT mice in MLD values, as the MLD for GD-exposed WT mice was significantly higher than the MLD for GD-exposed Es1 KO mice. Behavioral assessments of Es1 KO and WT mice included an open field test, a zero maze, a Barnes maze, and a sucrose preference test (SPT). While sex differences were observed in various measures of these tests, overall, Es1 KO mice behaved similarly to WT mice. The two genotypes also showed virtually identical neuropathological changes following GD exposure. Es1 KO mice appear to have an enhanced susceptibility to GD toxicity while retaining all other behavioral and physiological responses to this nerve agent, making the Es1 KO mouse a more human-like model for nerve agent research.

The Use of Virtual Reality in Craving Assessment and Cue-Exposure Therapy in Substance Use Disorders

PubMed Central

Hone-Blanchet, Antoine; Wensing, Tobias; Fecteau, Shirley

2014-01-01

Craving is recognized as an important diagnosis criterion for substance use disorders (SUDs) and a predictive factor of relapse. Various methods to study craving exist; however, suppressing craving to successfully promote abstinence remains an unmet clinical need in SUDs. One reason is that social and environmental contexts recalling drug and alcohol consumption in the everyday life of patients suffering from SUDs often initiate craving and provoke relapse. Current behavioral therapies for SUDs use the cue-exposure approach to suppress salience of social and environmental contexts that may induce craving. They facilitate learning and cognitive reinforcement of new behavior and entrain craving suppression in the presence of cues related to drug and alcohol consumption. Unfortunately, craving often overweighs behavioral training especially in real social and environmental contexts with peer pressure encouraging the use of substance, such as parties and bars. In this perspective, virtual reality (VR) is gaining interest in the development of cue-reactivity paradigms and practices new skills in treatment. VR enhances ecological validity of traditional craving-induction measurement. In this review, we discuss results from (1) studies using VR and alternative virtual agents in the induction of craving and (2) studies combining cue-exposure therapy with VR in the promotion of abstinence from drugs and alcohol use. They used virtual environments, displaying alcohol and drugs to SUD patients. Moreover, some environments included avatars. Hence, some studies have focused on the social interactions that are associated with drug-seeking behaviors and peer pressure. Findings indicate that VR can successfully increase craving. Studies combining cue–exposure therapy with virtual environment, however, reported mitigated success so far. PMID:25368571

The use of virtual reality in craving assessment and cue-exposure therapy in substance use disorders.

PubMed

Hone-Blanchet, Antoine; Wensing, Tobias; Fecteau, Shirley

2014-01-01

Craving is recognized as an important diagnosis criterion for substance use disorders (SUDs) and a predictive factor of relapse. Various methods to study craving exist; however, suppressing craving to successfully promote abstinence remains an unmet clinical need in SUDs. One reason is that social and environmental contexts recalling drug and alcohol consumption in the everyday life of patients suffering from SUDs often initiate craving and provoke relapse. Current behavioral therapies for SUDs use the cue-exposure approach to suppress salience of social and environmental contexts that may induce craving. They facilitate learning and cognitive reinforcement of new behavior and entrain craving suppression in the presence of cues related to drug and alcohol consumption. Unfortunately, craving often overweighs behavioral training especially in real social and environmental contexts with peer pressure encouraging the use of substance, such as parties and bars. In this perspective, virtual reality (VR) is gaining interest in the development of cue-reactivity paradigms and practices new skills in treatment. VR enhances ecological validity of traditional craving-induction measurement. In this review, we discuss results from (1) studies using VR and alternative virtual agents in the induction of craving and (2) studies combining cue-exposure therapy with VR in the promotion of abstinence from drugs and alcohol use. They used virtual environments, displaying alcohol and drugs to SUD patients. Moreover, some environments included avatars. Hence, some studies have focused on the social interactions that are associated with drug-seeking behaviors and peer pressure. Findings indicate that VR can successfully increase craving. Studies combining cue-exposure therapy with virtual environment, however, reported mitigated success so far.

The Dark Focus of Visual Accommodation: Its Existence, Its Measurement, Its Effects

DTIC Science & Technology

1979-11-01

DaVinci Jepicted the lens as a light focusing agent, but went virtually unnoticed as there was no available means to mass-produce his drawings (see...the Bates method of treating myopia in wni2n suggestion and relaxation techniques apparently yielded improved acuity. Working with hypnosis ,. he found...1’ Acute myopes had the greatest improvement during hypnosis . 2) Out ’f 1 49 nypnosis, acuity improvement transferred, but no refractive changes

Military Psychiatry: A Tri-Service Perspective.

DTIC Science & Technology

1987-01-01

Vietnam b6 conflict were virtually unknown, a contrast to World war II. Three percent of U. S. Air Force, 5% of U. S. Army, and 15% of U. S. Navy...of regression and separation from his task and group. Hypnosis and antipsychotic agents appear to be of little use in treatment. Hypnosis deprives the...conditions to mimic reality , indicated a 20% psychiatric casualty rate during a chemical warfare (CW) attack. In World war I, such cases were called

An integrated decision-making framework for transportation architectures: Application to aviation systems design

NASA Astrophysics Data System (ADS)

Lewe, Jung-Ho

The National Transportation System (NTS) is undoubtedly a complex system-of-systems---a collection of diverse 'things' that evolve over time, organized at multiple levels, to achieve a range of possibly conflicting objectives, and never quite behaving as planned. The purpose of this research is to develop a virtual transportation architecture for the ultimate goal of formulating an integrated decision-making framework. The foundational endeavor begins with creating an abstraction of the NTS with the belief that a holistic frame of reference is required to properly study such a multi-disciplinary, trans-domain system. The culmination of the effort produces the Transportation Architecture Field (TAF) as a mental model of the NTS, in which the relationships between four basic entity groups are identified and articulated. This entity-centric abstraction framework underpins the construction of a virtual NTS couched in the form of an agent-based model. The transportation consumers and the service providers are identified as adaptive agents that apply a set of preprogrammed behavioral rules to achieve their respective goals. The transportation infrastructure and multitude of exogenous entities (disruptors and drivers) in the whole system can also be represented without resorting to an extremely complicated structure. The outcome is a flexible, scalable, computational model that allows for examination of numerous scenarios which involve the cascade of interrelated effects of aviation technology, infrastructure, and socioeconomic changes throughout the entire system.

A bio-inspired swarm robot coordination algorithm for multiple target searching

NASA Astrophysics Data System (ADS)

Meng, Yan; Gan, Jing; Desai, Sachi

2008-04-01

The coordination of a multi-robot system searching for multi targets is challenging under dynamic environment since the multi-robot system demands group coherence (agents need to have the incentive to work together faithfully) and group competence (agents need to know how to work together well). In our previous proposed bio-inspired coordination method, Local Interaction through Virtual Stigmergy (LIVS), one problem is the considerable randomness of the robot movement during coordination, which may lead to more power consumption and longer searching time. To address these issues, an adaptive LIVS (ALIVS) method is proposed in this paper, which not only considers the travel cost and target weight, but also predicting the target/robot ratio and potential robot redundancy with respect to the detected targets. Furthermore, a dynamic weight adjustment is also applied to improve the searching performance. This new method a truly distributed method where each robot makes its own decision based on its local sensing information and the information from its neighbors. Basically, each robot only communicates with its neighbors through a virtual stigmergy mechanism and makes its local movement decision based on a Particle Swarm Optimization (PSO) algorithm. The proposed ALIVS algorithm has been implemented on the embodied robot simulator, Player/Stage, in a searching target. The simulation results demonstrate the efficiency and robustness in a power-efficient manner with the real-world constraints.

High throughput virtual screening and in silico ADMET analysis for rapid and efficient identification of potential PAP248-286 aggregation inhibitors as anti-HIV agents

NASA Astrophysics Data System (ADS)

Malik, Ruchi; Bunkar, Devendra; Choudhary, Bhanwar Singh; Srivastava, Shubham; Mehta, Pakhuri; Sharma, Manish

2016-10-01

Human semen is principal vehicle for transmission of HIV-1 and other enveloped viruses. Several endogenous peptides present in semen, including a 39-amino acid fragments of prostatic acid phosphatase (PAP248-286) assemble into amyloid fibrils named as semen-derived enhancer of viral infection (SEVI) that promote virion attachment to target cells which dramatically enhance HIV virus infection by up to 105-fold. Epigallocatechin-3-gallate (EGCG), a polyphenolic compound, is the major catechin found in green tea which disaggregates existing SEVI fibers, and inhibits the formation of SEVI fibers. The aim of this study was to screen a number of relevant polyphenols to develop a rational approach for designing PAP248-286 aggregation inhibitors as potential anti-HIV agents. The molecular docking based virtual screening results showed that polyphenolic compounds 2-6 possessed good docking score and interacted well with the active site residues of PAP248-286. Amino acid residues of binding site namely; Lys255, Ser256, Leu258 and Asn265 are involved in binding of these compounds. In silico ADMET prediction studies on these hits were also found to be promising. Polyphenolic compounds 2-6 identified as hits may act as novel leads for inhibiting aggregation of PAP248-286 into SEVI.

Multi-Agent Simulations of Earth's Dynamics: Towards a Virtual Laboratory for Plate Tectonics

NASA Astrophysics Data System (ADS)

Grigne, C.; Combes, M.; Tisseau, C.; LeYaouanq, S.; Parenthoen, M.; Tisseau, J.

2012-12-01

MACMA (Multi-Agent Convective MAntle) is a new tool developed at Laboratoire Domaines Océaniques (UMR CNRS 6538) and CERV-LabSTICC (Centre Européen de Réalité Virtuelle, UMR CNRS 6285) to simulate evolutive plates tectonics and mantle convection in a 2-D cylindrical geometry (Combes et al., 2012). In this approach, ridges, subduction zones, continents and convective cells are agents, whose behavior is controlled by analytical and phenomenological laws. These agents are autonomous entities which collect information from their environment and interact with each other. The dynamics of the system is mainly based on a force balance on each plate, that accounts for slab pull, ridge push, bending dissipation and viscous convective drag. Insulating continents are accounted for. Tectonic processes such as trench migration, plate suturing or continental breakup are controlled by explicit parameterizations. A heat balance is used to compute Earth's thermal evolution as a function of seafloor age distribution. We thereby obtain an evolutive system where the geometry and the number of tectonic plates are not imposed but emerge naturally from its dynamical history. Our approach has a very low computational cost and allows us to study the effect of a wide range of input parameters on the long-term thermal evolution of the Earth. MACMA can thus be seen as a 'plate tectonics virtual laboratory'. We can test not only the effect of input parameters, such as mantle initial temperature and viscosity, initial plate tectonics configuration, number and geometry of continents etc., but also study the effect of the analytical and empirical rules that we are using to describe the system. These rules can be changed at any time, and MACMA is an evolutive tool that can easily integrate new behavioral laws. Even poorly understood processes, that cannot be accounted for with differential equations, can be studied with this virtual laboratory. For Earth-like input parameters, MACMA yields plate velocities and heat flux that are in good agreement with observations. The long-term thermal evolution of the Earth obtained with our model shows a slow monotonous decrease of mantle mean temperature, with a cooling rate of around 50-100 K per billion years, which is in good agreement with petrological and geochemical constraints. Heat flux and plate velocities show a more irregular evolution, because tectonic events, such as a continental breakup, give rise to abrupt changes in Earth's surface dynamics and heat loss. Therefore MACMA is a powerful tool to study in a systematic way the effect of local events (subduction initiation, continental breakup, ridge vanishing) on plate reorganizations and global surface dynamics.

Virtual reality for freely moving animals.

PubMed

Stowers, John R; Hofbauer, Maximilian; Bastien, Renaud; Griessner, Johannes; Higgins, Peter; Farooqui, Sarfarazhussain; Fischer, Ruth M; Nowikovsky, Karin; Haubensak, Wulf; Couzin, Iain D; Tessmar-Raible, Kristin; Straw, Andrew D

2017-10-01

Standard animal behavior paradigms incompletely mimic nature and thus limit our understanding of behavior and brain function. Virtual reality (VR) can help, but it poses challenges. Typical VR systems require movement restrictions but disrupt sensorimotor experience, causing neuronal and behavioral alterations. We report the development of FreemoVR, a VR system for freely moving animals. We validate immersive VR for mice, flies, and zebrafish. FreemoVR allows instant, disruption-free environmental reconfigurations and interactions between real organisms and computer-controlled agents. Using the FreemoVR platform, we established a height-aversion assay in mice and studied visuomotor effects in Drosophila and zebrafish. Furthermore, by photorealistically mimicking zebrafish we discovered that effective social influence depends on a prospective leader balancing its internally preferred directional choice with social interaction. FreemoVR technology facilitates detailed investigations into neural function and behavior through the precise manipulation of sensorimotor feedback loops in unrestrained animals.

Manual-guided psychosocial treatment. A new virtual requirement for pharmacotherapy trials?

PubMed

Carroll, K M

1997-10-01

The conduct of randomized clinical trials to evaluate the efficacy of pharmacotherapies for mental disorders is guided by research standards (at a high level of rigor) that govern most design elements, including randomization of subjects, use of placebo controls, formulation and dosage of the therapeutic agent, and monitoring of serum levels. In contrast, no such widely accepted guidelines are recognized for standardization of an essential, if unacknowledged, element of all such studies: the concomitant provision of at least a minimal form of psychosocial treatment. Standardized provision of psychosocial treatments in pharmacotherapy trials will foster replicability of findings and address several common problems (e.g., attrition, medication noncompliance, reduction of error variance, and ethical issues associated with placebo controls). Careful selection and standardization of the psychosocial context in which medications are delivered will improve the validity, precision, and power of pharmacotherapy efficacy research, and should be considered a virtual requirement in research design.

Discovery of estrogen receptor α modulators from natural compounds in Si-Wu-Tang series decoctions using estrogen-responsive MCF-7 breast cancer cells.

PubMed

Liu, Li; Ma, Hongyue; Tang, Yuping; Chen, Wenxing; Lu, Yin; Guo, Jianming; Duan, Jin-Ao

2012-01-01

The binding between the estrogen receptor α (ER-α) and a variety of compounds in traditional Chinese formulae, Si-Wu-Tang (SWT) series decoctions, was studied using a stably-transfected human breast cancer cell line (MVLN). In 38 compounds tested from SWT series decoctions, the estrogen-like activity of 22 compounds was above 60% in 20 μg mL(-1). Furthermore, theoretical affinity of these compounds was certificated using the functional virtual screen of ER-α modulators by FlexX-Pharm. The accuracy of functional virtual screening of ER-α modulators could reach to 77.27%. The results showed that some compounds, such as organic acids and flavones in SWT series decoctions could be used as selective estrogen receptor modulators (SERMs) and could be selected for further development as potential agents for estrogen related diseases. Copyright © 2011 Elsevier Ltd. All rights reserved.

Application of virtual screening and molecular dynamics for the analysis of selectivity of inhibitors of HU proteins targeted to the DNA-recognition site

NASA Astrophysics Data System (ADS)

Talyzina, A. A.; Agapova, Yu. K.; Podshivalov, D. D.; Timofeev, V. I.; Sidorov-Biryukov, D. D.; Rakitina, T. V.

2017-11-01

DNA-Binding HU proteins are essential for the maintenance of genomic DNA supercoiling and compaction in prokaryotic cells and are promising pharmacological targets for the design of new antibacterial agents. The virtual screening for low-molecular-weight compounds capable of specifically interacting with the DNA-recognition loop of the HU protein from the mycoplasma Spiroplasma melliferum was performed. The ability of the initially selected ligands to form stable complexes with the protein target was assessed by molecular dynamics simulation. One compound, which forms an unstable complex, was eliminated by means of a combination of computational methods, resulting in a decrease in the number of compounds that will pass to the experimental test phase. This approach can be used to solve a wide range of problems related to the search for and validation of low-molecular-weight inhibitors specific for a particular protein target.

VDLLA: A virtual daddy-long legs optimization

NASA Astrophysics Data System (ADS)

Yaakub, Abdul Razak; Ghathwan, Khalil I.

2016-08-01

Swarm intelligence is a strong optimization algorithm based on a biological behavior of insects or animals. The success of any optimization algorithm is depending on the balance between exploration and exploitation. In this paper, we present a new swarm intelligence algorithm, which is based on daddy long legs spider (VDLLA) as a new optimization algorithm with virtual behavior. In VDLLA, each agent (spider) has nine positions which represent the legs of spider and each position represent one solution. The proposed VDLLA is tested on four standard functions using average fitness, Medium fitness and standard deviation. The results of proposed VDLLA have been compared against Particle Swarm Optimization (PSO), Differential Evolution (DE) and Bat Inspired Algorithm (BA). Additionally, the T-Test has been conducted to show the significant deference between our proposed and other algorithms. VDLLA showed very promising results on benchmark test functions for unconstrained optimization problems and also significantly improved the original swarm algorithms.

Parameterized Facial Expression Synthesis Based on MPEG-4

NASA Astrophysics Data System (ADS)

Raouzaiou, Amaryllis; Tsapatsoulis, Nicolas; Karpouzis, Kostas; Kollias, Stefanos

2002-12-01

In the framework of MPEG-4, one can include applications where virtual agents, utilizing both textual and multisensory data, including facial expressions and nonverbal speech help systems become accustomed to the actual feelings of the user. Applications of this technology are expected in educational environments, virtual collaborative workplaces, communities, and interactive entertainment. Facial animation has gained much interest within the MPEG-4 framework; with implementation details being an open research area (Tekalp, 1999). In this paper, we describe a method for enriching human computer interaction, focusing on analysis and synthesis of primary and intermediate facial expressions (Ekman and Friesen (1978)). To achieve this goal, we utilize facial animation parameters (FAPs) to model primary expressions and describe a rule-based technique for handling intermediate ones. A relation between FAPs and the activation parameter proposed in classical psychological studies is established, leading to parameterized facial expression analysis and synthesis notions, compatible with the MPEG-4 standard.

Modeling market mechanism with the minority game

NASA Astrophysics Data System (ADS)

Challet, Damien; Marsili, Matteo; Zhang, Yi-Cheng

2000-01-01

Using the minority game model we study a broad spectrum of problems of market mechanism. We study the role of different types of agents: producers, speculators as well as noise traders. The central issue here is the information flow: producers feed in the information whereas speculators make it away. How well each agent fares in the common game depends on the market conditions, as well as their sophistication. Sometimes there is much to gain with little effort, sometimes great effort virtually brings no more incremental gain. Market impact is also shown to play an important role, a strategy should be judged when it is actually used in play for its quality. Though the minority game is an extremely simplified market model, it allows to ask, analyze and answer many questions which arise in real markets.

Antimicrobial Activity of Lactoferrin-Related Peptides and Applications in Human and Veterinary Medicine.

PubMed

Bruni, Natascia; Capucchio, Maria Teresa; Biasibetti, Elena; Pessione, Enrica; Cirrincione, Simona; Giraudo, Leonardo; Corona, Antonio; Dosio, Franco

2016-06-11

Antimicrobial peptides (AMPs) represent a vast array of molecules produced by virtually all living organisms as natural barriers against infection. Among AMP sources, an interesting class regards the food-derived bioactive agents. The whey protein lactoferrin (Lf) is an iron-binding glycoprotein that plays a significant role in the innate immune system, and is considered as an important host defense molecule. In search for novel antimicrobial agents, Lf offers a new source with potential pharmaceutical applications. The Lf-derived peptides Lf(1-11), lactoferricin (Lfcin) and lactoferrampin exhibit interesting and more potent antimicrobial actions than intact protein. Particularly, Lfcin has demonstrated strong antibacterial, anti-fungal and antiparasitic activity with promising applications both in human and veterinary diseases (from ocular infections to osteo-articular, gastrointestinal and dermatological diseases).

Searching for new leads to treat epilepsy. Target-based virtual screening for the discovery of anticonvulsant agents.

PubMed

Palestro, Pablo; Enrique, Nicolas; Goicoechea, Sofia; Villalba, María Luisa; Sabatier, Laureano Leonel; Martin, Pedro; Milesi, Veronica; Bruno-Blanch, Luis E; Gavernet, Luciana

2018-06-05

The purpose of this investigation is to contribute to the development of new anticonvulsant drugs to treat patients with refractory epilepsy. We applied a virtual screening protocol that involved the search into molecular databases of new compounds and known drugs to find small molecules that interact with the open conformation of the Nav1.2 pore. As the 3D structure of human Nav1.2 is not available, we first assembled 3D models of the target, in closed and open conformations. After the virtual screening, the resulting candidates were submitted to a second virtual filter, to find compounds with better chances of being effective for the treatment of P-glycoprotein (P-gp) mediated resistant epilepsy. Again, we built a model of the 3D structure of human P-gp and we validated the docking methodology selected to propose the best candidates, which were experimentally tested on Nav1.2 channels by patch clamp techniques and in vivo by MES-test. Patch clamp studies allowed us to corroborate that our candidates, drugs used for the treatment of other pathologies like Ciprofloxacin, Losartan and Valsartan, exhibit inhibitory effects on Nav1.2 channel activity. Additionally, a compound synthesized in our lab, N,N´-diphenethylsulfamide, interacts with the target and also triggers significant Na1.2 channel inhibitory action. Finally, in-vivo studies confirmed the anticonvulsant action of Valsartan, Ciprofloxacin and N.N´-diphenethylsulfamide.

Local and Remote Cooperation With Virtual and Robotic Agents: A P300 BCI Study in Healthy and People Living With Spinal Cord Injury.

PubMed

Tidoni, Emmanuele; Abu-Alqumsan, Mohammad; Leonardis, Daniele; Kapeller, Christoph; Fusco, Gabriele; Guger, Cristoph; Hintermuller, Cristoph; Peer, Angelika; Frisoli, Antonio; Tecchia, Franco; Bergamasco, Massimo; Aglioti, Salvatore Maria

2017-09-01

The development of technological applications that allow people to control and embody external devices within social interaction settings represents a major goal for current and future brain-computer interface (BCI) systems. Prior research has suggested that embodied systems may ameliorate BCI end-user's experience and accuracy in controlling external devices. Along these lines, we developed an immersive P300-based BCI application with a head-mounted display for virtual-local and robotic-remote social interactions and explored in a group of healthy participants the role of proprioceptive feedback in the control of a virtual surrogate (Study 1). Moreover, we compared the performance of a small group of people with spinal cord injury (SCI) to a control group of healthy subjects during virtual and robotic social interactions (Study 2), where both groups received a proprioceptive stimulation. Our attempt to combine immersive environments, BCI technologies and neuroscience of body ownership suggests that providing realistic multisensory feedback still represents a challenge. Results have shown that healthy and people living with SCI used the BCI within the immersive scenarios with good levels of performance (as indexed by task accuracy, optimizations calls and Information Transfer Rate) and perceived control of the surrogates. Proprioceptive feedback did not contribute to alter performance measures and body ownership sensations. Further studies are necessary to test whether sensorimotor experience represents an opportunity to improve the use of future embodied BCI applications.

Mouse blood vessel imaging by in-line x-ray phase-contrast imaging

NASA Astrophysics Data System (ADS)

Zhang, Xi; Liu, Xiao-Song; Yang, Xin-Rong; Chen, Shao-Liang; Zhu, Pei-Ping; Yuan, Qing-Xi

2008-10-01

It is virtually impossible to observe blood vessels by conventional x-ray imaging techniques without using contrast agents. In addition, such x-ray systems are typically incapable of detecting vessels with diameters less than 200 µm. Here we show that vessels as small as 30 µm could be detected using in-line phase-contrast x-ray imaging without the use of contrast agents. Image quality was greatly improved by replacing resident blood with physiological saline. Furthermore, an entire branch of the portal vein from the main axial portal vein to the eighth generation of branching could be captured in a single phase-contrast image. Prior to our work, detection of 30 µm diameter blood vessels could only be achieved using x-ray interferometry, which requires sophisticated x-ray optics. Our results thus demonstrate that in-line phase-contrast x-ray imaging, using physiological saline as a contrast agent, provides an alternative to the interferometric method that can be much more easily implemented and also offers the advantage of a larger field of view. A possible application of this methodology is in animal tumor models, where it can be used to observe tumor angiogenesis and the treatment effects of antineoplastic agents.

Analytical model for effects of capsule shape on the healing efficiency in self-healing materials

PubMed Central

Li, Songpeng; Chen, Huisu

2017-01-01

The fundamental requirement for the autonomous capsule-based self-healing process to work is that cracks need to reach the capsules and break them such that the healing agent can be released. Ignoring all other aspects, the amount of healing agents released into the crack is essential to obtain a good healing. Meanwhile, from the perspective of the capsule shapes, spherical or elongated capsules (hollow tubes/fibres) are the main morphologies used in capsule-based self-healing materials. The focus of this contribution is the description of the effects of capsule shape on the efficiency of healing agent released in capsule-based self-healing material within the framework of the theory of geometrical probability and integral geometry. Analytical models are developed to characterize the amount of healing agent released per crack area from capsules for an arbitrary crack intersecting with capsules of various shapes in a virtual capsule-based self-healing material. The average crack opening distance is chosen to be a key parameter in defining the healing potential of individual cracks in the models. Furthermore, the accuracy of the developed models was verified by comparison to the data from a published numerical simulation study. PMID:29095862

Pervasive surveillance-agent system based on wireless sensor networks: design and deployment

NASA Astrophysics Data System (ADS)

Martínez, José F.; Bravo, Sury; García, Ana B.; Corredor, Iván; Familiar, Miguel S.; López, Lourdes; Hernández, Vicente; Da Silva, Antonio

2010-12-01

Nowadays, proliferation of embedded systems is enhancing the possibilities of gathering information by using wireless sensor networks (WSNs). Flexibility and ease of installation make these kinds of pervasive networks suitable for security and surveillance environments. Moreover, the risk for humans to be exposed to these functions is minimized when using these networks. In this paper, a virtual perimeter surveillance agent, which has been designed to detect any person crossing an invisible barrier around a marked perimeter and send an alarm notification to the security staff, is presented. This agent works in a state of 'low power consumption' until there is a crossing on the perimeter. In our approach, the 'intelligence' of the agent has been distributed by using mobile nodes in order to discern the cause of the event of presence. This feature contributes to saving both processing resources and power consumption since the required code that detects presence is the only system installed. The research work described in this paper illustrates our experience in the development of a surveillance system using WNSs for a practical application as well as its evaluation in real-world deployments. This mechanism plays an important role in providing confidence in ensuring safety to our environment.

The Janus face of Darwinian competition

PubMed Central

Hintze, Arend; Phillips, Nathaniel; Hertwig, Ralph

2015-01-01

Without competition, organisms would not evolve any meaningful physical or cognitive abilities. Competition can thus be understood as the driving force behind Darwinian evolution. But does this imply that more competitive environments necessarily evolve organisms with more sophisticated cognitive abilities than do less competitive environments? Or is there a tipping point at which competition does more harm than good? We examine the evolution of decision strategies among virtual agents performing a repetitive sampling task in three distinct environments. The environments differ in the degree to which the actions of a competitor can affect the fitness of the sampling agent, and in the variance of the sample. Under weak competition, agents evolve decision strategies that sample often and make accurate decisions, which not only improve their own fitness, but are good for the entire population. Under extreme competition, however, the dark side of the Janus face of Darwinian competition emerges: Agents are forced to sacrifice accuracy for speed and are prevented from sampling as often as higher variance in the environment would require. Modest competition is therefore a good driver for the evolution of cognitive abilities and of the population as a whole, whereas too much competition is devastating. PMID:26354182

The Janus face of Darwinian competition.

PubMed

Hintze, Arend; Phillips, Nathaniel; Hertwig, Ralph

2015-09-10

Without competition, organisms would not evolve any meaningful physical or cognitive abilities. Competition can thus be understood as the driving force behind Darwinian evolution. But does this imply that more competitive environments necessarily evolve organisms with more sophisticated cognitive abilities than do less competitive environments? Or is there a tipping point at which competition does more harm than good? We examine the evolution of decision strategies among virtual agents performing a repetitive sampling task in three distinct environments. The environments differ in the degree to which the actions of a competitor can affect the fitness of the sampling agent, and in the variance of the sample. Under weak competition, agents evolve decision strategies that sample often and make accurate decisions, which not only improve their own fitness, but are good for the entire population. Under extreme competition, however, the dark side of the Janus face of Darwinian competition emerges: Agents are forced to sacrifice accuracy for speed and are prevented from sampling as often as higher variance in the environment would require. Modest competition is therefore a good driver for the evolution of cognitive abilities and of the population as a whole, whereas too much competition is devastating.

vhMentor: An Ontology Supported Mobile Agent System for Pervasive Health Care Monitoring.

PubMed

Christopoulou, Stella C; Kotsilieris, Theodore; Anagnostopoulos, Ioannis; Anagnostopoulos, Christos-Nikolaos; Mylonas, Phivos

2017-01-01

Healthcare provision is a set of activities that demands the collaboration of several stakeholders (e.g. physicians, nurses, managers, patients etc.) who hold distinct expertise and responsibilities. In addition, medical knowledge is diversely located and often shared under no central coordination and supervision authority, while medical data flows remain mostly passive regarding the way data is delivered to both clinicians and patients. In this paper, we propose the implementation of a virtual health Mentor (vhMentor) which stands as a dedicated ontology schema and FIPA compliant agent system. Agent technology proves to be ideal for developing healthcare applications due to its distributed operation over systems and data sources of high heterogeneity. Agents are able to perform their tasks by acting pro-actively in order to assist individuals to overcome limitations posed during accessing medical data and executing non-automatic error-prone processes. vhMentor further comprises the Jess rules engine in order to implement reasoning logic. Thus, on the one hand vhMentor is a prototype that fills the gap between healthcare systems and the care provision community, while on the other hand allows the blending of next generation distributed services in healthcare domain.

Efficient Double Auction Mechanisms in the Energy Grid with Connected and Islanded Microgrids

NASA Astrophysics Data System (ADS)

Faqiry, Mohammad Nazif

The future energy grid is expected to operate in a decentralized fashion as a network of autonomous microgrids that are coordinated by a Distribution System Operator (DSO), which should allocate energy to them in an efficient manner. Each microgrid operating in either islanded or grid-connected mode may be considered to manage its own resources. This can take place through auctions with individual units of the microgrid as the agents. This research proposes efficient auction mechanisms for the energy grid, with is-landed and connected microgrids. The microgrid level auction is carried out by means of an intermediate agent called an aggregator. The individual consumer and producer units are modeled as selfish agents. With the microgrid in islanded mode, two aggregator-level auction classes are analyzed: (i) price-heterogeneous, and (ii) price homogeneous. Under the price heterogeneity paradigm, this research extends earlier work on the well-known, single-sided Kelly mechanism to double auctions. As in Kelly auctions, the proposed algorithm implements the bidding without using any agent level private infor-mation (i.e. generation capacity and utility functions). The proposed auction is shown to be an efficient mechanism that maximizes the social welfare, i.e. the sum of the utilities of all the agents. Furthermore, the research considers the situation where a subset of agents act as a coalition to redistribute the allocated energy and price using any other specific fairness criterion. The price homogeneous double auction algorithm proposed in this research ad-dresses the problem of price-anticipation, where each agent tries to influence the equilibri-um price of energy by placing strategic bids. As a result of this behavior, the auction's efficiency is lowered. This research proposes a novel approach that is implemented by the aggregator, called virtual bidding, where the efficiency can be asymptotically maximized, even in the presence of price anticipatory bidders. Next, an auction mechanism for the energy grid, with multiple connected mi-crogrids is considered. A globally efficient bi-level auction algorithm is proposed. At the upper-level, the algorithm takes into account physical grid constraints in allocating energy to the microgrids. It is implemented by the DSO as a linear objective quadratic constraint problem that allows price heterogeneity across the aggregators. In parallel, each aggrega-tor implements its own lower-level price homogeneous auction with virtual bidding. The research concludes with a preliminary study on extending the DSO level auc-tion to multi-period day-ahead scheduling. It takes into account storage units and conven-tional generators that are present in the grid by formulating the auction as a mixed inte-ger linear programming problem.

Social Fear Conditioning Paradigm in Virtual Reality: Social vs. Electrical Aversive Conditioning

PubMed Central

Reichenberger, Jonas; Porsch, Sonja; Wittmann, Jasmin; Zimmermann, Verena; Shiban, Youssef

2017-01-01

In a previous study we could show that social fear can be induced and extinguished using virtual reality (VR). In the present study, we aimed to investigate the belongingness effect in an operant social fear conditioning (SFC) paradigm which consisted of an acquisition and an extinction phase. Forty-three participants used a joystick to approach different virtual male agents that served as conditioned stimuli. Participants were randomly allocated to one of two experimental conditions. In the electroshock condition, the unconditioned stimulus (US) used during acquisition was an electric stimulation. In the social threat condition, the US consisted of an offense: a spit in the face, mimicked by a sound and a weak air blast to the participant’s neck combined with an insult. In both groups the US was presented when participants were close to the agent (75% contingency for CS+). Outcome variables included subjective, psychophysiological and behavioral data. As expected, fear and contingency ratings increased significantly during acquisition and the differentiation between CS+ and CS- vanished during extinction. Furthermore, a clear difference in skin conductance between CS+ and CS- at the beginning of the acquisition indicated that SFC had been successful. However, a fast habituation to the US was found toward the end of the acquisition phase for the physiological response. Furthermore, participants showed avoidance behavior toward CS+ in both conditions. The results show that social fear can successfully be induced and extinguished in VR in a human sample. Thus, our paradigm can help to gain insight into learning and unlearning of social fear. Regarding the belongingness effect, the social threat condition benefits from a better differentiation between the aversive and the non-aversive stimuli. As next step we suggest comparing social-phobic patients to healthy controls in order to investigate possible differences in discrimination learning and to foster the development of more efficient treatments for social phobia. PMID:29250000

Social Fear Conditioning Paradigm in Virtual Reality: Social vs. Electrical Aversive Conditioning.

PubMed

Reichenberger, Jonas; Porsch, Sonja; Wittmann, Jasmin; Zimmermann, Verena; Shiban, Youssef

2017-01-01

In a previous study we could show that social fear can be induced and extinguished using virtual reality (VR). In the present study, we aimed to investigate the belongingness effect in an operant social fear conditioning (SFC) paradigm which consisted of an acquisition and an extinction phase. Forty-three participants used a joystick to approach different virtual male agents that served as conditioned stimuli. Participants were randomly allocated to one of two experimental conditions. In the electroshock condition, the unconditioned stimulus (US) used during acquisition was an electric stimulation. In the social threat condition, the US consisted of an offense: a spit in the face, mimicked by a sound and a weak air blast to the participant's neck combined with an insult. In both groups the US was presented when participants were close to the agent (75% contingency for CS+). Outcome variables included subjective, psychophysiological and behavioral data. As expected, fear and contingency ratings increased significantly during acquisition and the differentiation between CS+ and CS- vanished during extinction. Furthermore, a clear difference in skin conductance between CS+ and CS- at the beginning of the acquisition indicated that SFC had been successful. However, a fast habituation to the US was found toward the end of the acquisition phase for the physiological response. Furthermore, participants showed avoidance behavior toward CS+ in both conditions. The results show that social fear can successfully be induced and extinguished in VR in a human sample. Thus, our paradigm can help to gain insight into learning and unlearning of social fear. Regarding the belongingness effect, the social threat condition benefits from a better differentiation between the aversive and the non-aversive stimuli. As next step we suggest comparing social-phobic patients to healthy controls in order to investigate possible differences in discrimination learning and to foster the development of more efficient treatments for social phobia.

High-Fidelity e-Learning: SEI’s Virtual Training Environment (VTE)

DTIC Science & Technology

2009-01-01

Assessment 2.4 Collaboration 2.4.1 Peer-Student Collaboration 2.4.2 Instructor Support 2.5 Accessibility 2.6 Modularity 2.6.1 Design for Re-Use 2.6.2 Design ...ing Environment as an implementation of a high-fidelity e-Ieaming system. This report does not cover concepts of pedagogy or instructional design in e...pedagogical agents. This is the basis for Clark and Mayer’s Personalization principle for designing media for e-learning [Clark & Mayer 2003]. E-learning

Tactical assessment in a squad of intelligent bots

NASA Astrophysics Data System (ADS)

Gołuński, Marcel; Wasiewicz, Piotr

2010-09-01

In this paper we explore the problem of communication and coordination in a team of intelligent game bots (aka embodied agents). It presents a tactical decision making system controlling the behavior of an autonomous bot followed by the concept of a team tactical decision making system controlling the team of intelligent bots. The algorithms to be introduced have been implemented in the Java language by means of Pogamut 2 framework, interfacing the bot logic with Unreal Tournament 2004 virtual environment.

Antimicrobial Peptides As Biologic and Immunotherapeutic Agents against Cancer: A Comprehensive Overview.

PubMed

Roudi, Raheleh; Syn, Nicholas L; Roudbary, Maryam

2017-01-01

Antimicrobial peptides (AMPs) are a pervasive and evolutionarily ancient component of innate host defense which is present in virtually all classes of life. In recent years, evidence has accumulated that parallel or de novo mechanisms by which AMPs curb infectious pathologies are also effective at restraining cancer cell proliferation and dissemination, and have consequently stimulated significant interest in their deployment as novel biologic and immunotherapeutic agents against human malignancies. In this review, we explicate the biochemical underpinnings of their tumor-selectivity, and discuss results of recent clinical trials (outside of oncologic indications) which substantiate their safety and tolerability profiles. Next, we present evidence for their preclinical antitumor activity, systematically organized by the major and minor classes of natural AMPs. Finally, we discuss the barriers to their clinical implementation and envision directions for further development.

Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC.

PubMed

Piizzi, Grazia; Parker, David T; Peng, Yunshan; Dobler, Markus; Patnaik, Anup; Wattanasin, Som; Liu, Eugene; Lenoir, Francois; Nunez, Jill; Kerrigan, John; McKenney, David; Osborne, Colin; Yu, Donghui; Lanieri, Leanne; Bojkovic, Jade; Dzink-Fox, JoAnn; Lilly, Maria-Dawn; Sprague, Elizabeth R; Lu, Yipin; Wang, Hongming; Ranjitkar, Srijan; Xie, Lili; Wang, Bing; Glick, Meir; Hamann, Lawrence G; Tommasi, Ruben; Yang, Xia; Dean, Charles R

2017-06-22

Over the past several decades, the frequency of antibacterial resistance in hospitals, including multidrug resistance (MDR) and its association with serious infectious diseases, has increased at alarming rates. Pseudomonas aeruginosa is a leading cause of nosocomial infections, and resistance to virtually all approved antibacterial agents is emerging in this pathogen. To address the need for new agents to treat MDR P. aeruginosa, we focused on inhibiting the first committed step in the biosynthesis of lipid A, the deacetylation of uridyldiphospho-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine by the enzyme LpxC. We approached this through the design, synthesis, and biological evaluation of novel hydroxamic acid LpxC inhibitors, exemplified by 1, where cytotoxicity against mammalian cell lines was reduced, solubility and plasma-protein binding were improved while retaining potent anti-pseudomonal activity in vitro and in vivo.

Ozone as a laundry agent on orbit and on the ground

NASA Technical Reports Server (NTRS)

Agosto, William N.

1994-01-01

Ozone (03), is the strongest commercial oxidizing agent for aqueous systems and may be ideal for space station laundering operations. It can be generated electronically from air in situ. It kills virtually all microorganisms, attacks many organics and inorganics, and breaks down stable ring structures of benzene and related oils when coupled with ultra violet radiation. It cleans and disinfects in cold water without the need for detergent. It leaves no residues. Ozone permits up to 90% wash water recycling and it eliminates wash time, water volume, and recycling problems of a detergent rinse. Ozone is self purging and converts spontaneously to oxygen. It can be rapidly purged by well established catalytic and thermal processes. Scaling of an ozone laundering system for space station may have commercial applications in a consumer model for home use.

Toward cognitive robotics

NASA Astrophysics Data System (ADS)

Laird, John E.

2009-05-01

Our long-term goal is to develop autonomous robotic systems that have the cognitive abilities of humans, including communication, coordination, adapting to novel situations, and learning through experience. Our approach rests on the recent integration of the Soar cognitive architecture with both virtual and physical robotic systems. Soar has been used to develop a wide variety of knowledge-rich agents for complex virtual environments, including distributed training environments and interactive computer games. For development and testing in robotic virtual environments, Soar interfaces to a variety of robotic simulators and a simple mobile robot. We have recently made significant extensions to Soar that add new memories and new non-symbolic reasoning to Soar's original symbolic processing, which should significantly improve Soar abilities for control of robots. These extensions include episodic memory, semantic memory, reinforcement learning, and mental imagery. Episodic memory and semantic memory support the learning and recalling of prior events and situations as well as facts about the world. Reinforcement learning provides the ability of the system to tune its procedural knowledge - knowledge about how to do things. Mental imagery supports the use of diagrammatic and visual representations that are critical to support spatial reasoning. We speculate on the future of unmanned systems and the need for cognitive robotics to support dynamic instruction and taskability.

Computer-aided discovery in antimicrobial research: In silico model for virtual screening of potent and safe anti-pseudomonas agents.

PubMed

Speck-Planche, Alejandro; Cordeiro, Maria N D S

2015-01-01

Resistance of bacteria to current antibiotics is an alarming health problem. In this sense, Pseudomonas represents a genus of Gram-negative pathogens, which has emerged as one of the most dangerous species causing nosocomial infections. Despite the effort of the scientific community, drug resistant strains of bacteria belonging to Pseudomonas spp. prevail. The high costs associated to drug discovery and the urgent need for more efficient antimicrobial chemotherapies envisage the fact that computeraided methods can rationalize several stages involved in the development of a new drug. In this work, we introduce a chemoinformatic methodology devoted to the construction of a multitasking model for quantitative-structure biological effect relationships (mtk-QSBER). The purpose of this model was to perform simultaneous predictions of anti-Pseudomonas activities and ADMET (absorption, distribution, metabolism, elimination, and toxicity) properties of organic compounds. The mtk-QSBER model was created from a large and heterogeneous dataset (more than 54000 cases) and displayed accuracies higher than 90% in both training and prediction sets. In order to demonstrate the applicability of our mtk-QSBER model, we used the investigational antibacterial drug delafloxacin as a case of study, for which experimental results were recently reported. The predictions performed for many biological effects of this drug exhibited a remarkable convergence with the experimental assays, confirming that our model can serve as useful tool for virtual screening of potent and safer anti-Pseudomonas agents.

Agent-Based Modleing of Power Plants Placement to Evaluate the Clean Energy Standard Goal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Omitaomu, Olufemi A

2014-01-01

There is a political push for utilities to supply a specified share of their electricity sales from clean energy resources under the clean energy standard (CES). The goal is to achieve 80% clean energy by 2035. However, there are uncertainties about the ability of the utility industry to ramp up quickly even with the incentives that will be provided. Water availability from the streams is one of the major factors. The contiguous United States is divided into eighteen water regions, and multiple states share water from a single water region. Consequently, water usage decisions made in one state (located upstreammore » of a water region that crosses multiple states) will greatly impact what is available downstream in another state. In this paper, an agent-based modeling approach is proposed to evaluate the clean energy standard goal for water-dependent energy resources. Specifically, using a water region rather than a state boundary as a bounding envelope for the modeling and starting at the headwaters, virtual power plants are placed based on the conditions that there is: (i) suitable land to site a particular power plant, (ii) enough water that meet regulatory guidelines within 20 miles of the suitable land, and (iii) a 20-mile buffer zone from an existing or a virtual power plant. The results obtained are discussed in the context of the proposed clean energy standard goal for states that overlap with one water region.« less

Application of the dynamically allocated virtual clustering management system to emulated tactical network experimentation

NASA Astrophysics Data System (ADS)

Marcus, Kelvin

2014-06-01

The U.S Army Research Laboratory (ARL) has built a "Network Science Research Lab" to support research that aims to improve their ability to analyze, predict, design, and govern complex systems that interweave the social/cognitive, information, and communication network genres. Researchers at ARL and the Network Science Collaborative Technology Alliance (NS-CTA), a collaborative research alliance funded by ARL, conducted experimentation to determine if automated network monitoring tools and task-aware agents deployed within an emulated tactical wireless network could potentially increase the retrieval of relevant data from heterogeneous distributed information nodes. ARL and NS-CTA required the capability to perform this experimentation over clusters of heterogeneous nodes with emulated wireless tactical networks where each node could contain different operating systems, application sets, and physical hardware attributes. Researchers utilized the Dynamically Allocated Virtual Clustering Management System (DAVC) to address each of the infrastructure support requirements necessary in conducting their experimentation. The DAVC is an experimentation infrastructure that provides the means to dynamically create, deploy, and manage virtual clusters of heterogeneous nodes within a cloud computing environment based upon resource utilization such as CPU load, available RAM and hard disk space. The DAVC uses 802.1Q Virtual LANs (VLANs) to prevent experimentation crosstalk and to allow for complex private networks. Clusters created by the DAVC system can be utilized for software development, experimentation, and integration with existing hardware and software. The goal of this paper is to explore how ARL and the NS-CTA leveraged the DAVC to create, deploy and manage multiple experimentation clusters to support their experimentation goals.

Pharmacophore Based 3D-QSAR, Virtual Screening and Docking Studies on Novel Series of HDAC Inhibitors with Thiophen Linker as Anticancer Agents.

PubMed

Patel, Preeti; Singh, Avineesh; Patel, Vijay K; Jain, Deepak K; Veerasamy, Ravichandran; Rajak, Harish

2016-01-01

Histone deacetylase (HDAC) inhibitors can reactivate gene expression and inhibit the growth and survival of cancer cells. To identify the important pharmacophoric features and correlate 3Dchemical structure with biological activity using 3D-QSAR and Pharmacophore modeling studies. The pharmacophore hypotheses were developed using e-pharmacophore script and phase module. Pharmacophore hypothesis represents the 3D arrangement of molecular features necessary for activity. A series of 55 compounds with wellassigned HDAC inhibitory activity were used for 3D-QSAR model development. Best 3D-QSAR model, which is a five partial least square (PLS) factor model with good statistics and predictive ability, acquired Q2 (0.7293), R2 (0.9811), cross-validated coefficient rcv 2=0.9807 and R2 pred=0.7147 with low standard deviation (0.0952). Additionally, the selected pharmacophore model DDRRR.419 was used as a 3D query for virtual screening against the ZINC database. In the virtual screening workflow, docking studies (HTVS, SP and XP) were carried out by selecting multiple receptors (PDB ID: 1T69, 1T64, 4LXZ, 4LY1, 3MAX, 2VQQ, 3C10, 1W22). Finally, six compounds were obtained based on high scoring function (dock score -11.2278-10.2222 kcal/mol) and diverse structures. The structure activity correlation was established using virtual screening, docking, energetic based pharmacophore modelling, pharmacophore, atom based 3D QSAR models and their validation. The outcomes of these studies could be further employed for the design of novel HDAC inhibitors for anticancer activity.

Rational Discovery of (+) (S) Abscisic Acid as a Potential Antifungal Agent: a Repurposing Approach.

PubMed

Khedr, Mohammed A; Massarotti, Alberto; Mohamed, Maged E

2018-06-04

Fungal infections are spreading widely worldwide, and the types of treatment are limited due to the lack of diverse therapeutic agents and their associated side effects and toxicity. The discovery of new antifungal classes is vital and critical. We discovered the antifungal activity of abscisic acid through a rational drug design methodology that included the building of homology models for fungal chorismate mutases and a pharmacophore model derived from a transition state inhibitor. Ligand-based virtual screening resulted in some hits that were filtered using molecular docking and molecular dynamic simulations studies. Both in silico methods and in vitro antifungal assays were used as tools to select and validate the abscisic acid repurposing. Abscisic acid inhibition assays confirmed the inhibitory effect of abscisic acid on chorismate mutase through the inhibition of phenylpyruvate production. The repositioning of abscisic acid, the well-known and naturally occurring plant growth regulator, as a potential antifungal agent because of its suggested action as an inhibitor to several fungal chorismate mutases was the main result of this work.

Simultaneous Deployment and Tracking Multi-Robot Strategies with Connectivity Maintenance

PubMed Central

Tardós, Javier; Aragues, Rosario; Sagüés, Carlos; Rubio, Carlos

2018-01-01

Multi-robot teams composed of ground and aerial vehicles have gained attention during the last few years. We present a scenario where both types of robots must monitor the same area from different view points. In this paper, we propose two Lloyd-based tracking strategies to allow the ground robots (agents) to follow the aerial ones (targets), keeping the connectivity between the agents. The first strategy establishes density functions on the environment so that the targets acquire more importance than other zones, while the second one iteratively modifies the virtual limits of the working area depending on the positions of the targets. We consider the connectivity maintenance due to the fact that coverage tasks tend to spread the agents as much as possible, which is addressed by restricting their motions so that they keep the links of a minimum spanning tree of the communication graph. We provide a thorough parametric study of the performance of the proposed strategies under several simulated scenarios. In addition, the methods are implemented and tested using realistic robotic simulation environments and real experiments. PMID:29558446

Agent-Based Intelligent Interface for Wheelchair Movement Control

PubMed Central

Barriuso, Alberto L.; De Paz, Juan F.

2018-01-01

People who suffer from any kind of motor difficulty face serious complications to autonomously move in their daily lives. However, a growing number research projects which propose different powered wheelchairs control systems are arising. Despite of the interest of the research community in the area, there is no platform that allows an easy integration of various control methods that make use of heterogeneous sensors and computationally demanding algorithms. In this work, an architecture based on virtual organizations of agents is proposed that makes use of a flexible and scalable communication protocol that allows the deployment of embedded agents in computationally limited devices. In order to validate the proper functioning of the proposed system, it has been integrated into a conventional wheelchair and a set of alternative control interfaces have been developed and deployed, including a portable electroencephalography system, a voice interface or as specifically designed smartphone application. A set of tests were conducted to test both the platform adequacy and the accuracy and ease of use of the proposed control systems yielding positive results that can be useful in further wheelchair interfaces design and implementation. PMID:29751603

Integrating virtual screening and biochemical experimental approach to identify potential anti-cancer agents from drug databank.

PubMed

Deka, Suman Jyoti; Roy, Ashalata; Manna, Debasis; Trivedi, Vishal

2018-06-01

Chemical libraries constitute a reservoir of pharmacophoric molecules to identify potent anti-cancer agents. Virtual screening of heterocyclic compound library in conjugation with the agonist-competition assay, toxicity-carcinogenicity analysis, and string-based structural searches enabled us to identify several drugs as potential anti-cancer agents targeting protein kinase C (PKC) as a target. Molecular modeling study indicates that Cinnarizine fits well within the PKC C2 domain and exhibits extensive interaction with the protein residues. Molecular dynamics simulation of PKC-Cinnarizine complex at different temperatures (300, 325, 350, 375, and 400[Formula: see text]K) confirms that Cinnarizine fits nicely into the C2 domain and forms a stable complex. The drug Cinnarizine was found to bind PKC with a dissociation constant Kd of [Formula: see text]M. The breast cancer cells stimulated with Cinnarizine causes translocation of PKC-[Formula: see text] to the plasma membrane as revealed by immunoblotting and immunofluorescence studies. Cinnarizine also dose dependently reduced the viability of MDAMB-231 and MCF-7 breast cancer cells with an IC[Formula: see text] of [Formula: see text] and [Formula: see text]g/mL, respectively. It is due to the disturbance of cell cycle of breast cancer cells with reduction of S-phase and accumulation of cells in G1-phase. It disturbs mitochondrial membrane potentials to release cytochrome C into the cytosol and activates caspase-3 to induce apoptosis in cancer cells. The cell death was due to induction of apoptosis involving mitochondrial pathway. Hence, the current study has assigned an additional role to Cinnarizine as an activator of PKC and potentials of the approach to identify new molecules for anti-cancer therapy. Thus, in silico screening along with biochemical experimentation is a robust approach to assign additional roles to the drugs present in the databank for anti-cancer therapy.

Cross-site comparison of land-use decision-making and its consequences across land systems with a generalized agent-based model.

PubMed

Magliocca, Nicholas R; Brown, Daniel G; Ellis, Erle C

2014-01-01

Local changes in land use result from the decisions and actions of land-users within land systems, which are structured by local and global environmental, economic, political, and cultural contexts. Such cross-scale causation presents a major challenge for developing a general understanding of how local decision-making shapes land-use changes at the global scale. This paper implements a generalized agent-based model (ABM) as a virtual laboratory to explore how global and local processes influence the land-use and livelihood decisions of local land-users, operationalized as settlement-level agents, across the landscapes of six real-world test sites. Test sites were chosen in USA, Laos, and China to capture globally-significant variation in population density, market influence, and environmental conditions, with land systems ranging from swidden to commercial agriculture. Publicly available global data were integrated into the ABM to model cross-scale effects of economic globalization on local land-use decisions. A suite of statistics was developed to assess the accuracy of model-predicted land-use outcomes relative to observed and random (i.e. null model) landscapes. At four of six sites, where environmental and demographic forces were important constraints on land-use choices, modeled land-use outcomes were more similar to those observed across sites than the null model. At the two sites in which market forces significantly influenced land-use and livelihood decisions, the model was a poorer predictor of land-use outcomes than the null model. Model successes and failures in simulating real-world land-use patterns enabled the testing of hypotheses on land-use decision-making and yielded insights on the importance of missing mechanisms. The virtual laboratory approach provides a practical framework for systematic improvement of both theory and predictive skill in land change science based on a continual process of experimentation and model enhancement.

Cross-Site Comparison of Land-Use Decision-Making and Its Consequences across Land Systems with a Generalized Agent-Based Model

PubMed Central

Magliocca, Nicholas R.; Brown, Daniel G.; Ellis, Erle C.

2014-01-01

Local changes in land use result from the decisions and actions of land-users within land systems, which are structured by local and global environmental, economic, political, and cultural contexts. Such cross-scale causation presents a major challenge for developing a general understanding of how local decision-making shapes land-use changes at the global scale. This paper implements a generalized agent-based model (ABM) as a virtual laboratory to explore how global and local processes influence the land-use and livelihood decisions of local land-users, operationalized as settlement-level agents, across the landscapes of six real-world test sites. Test sites were chosen in USA, Laos, and China to capture globally-significant variation in population density, market influence, and environmental conditions, with land systems ranging from swidden to commercial agriculture. Publicly available global data were integrated into the ABM to model cross-scale effects of economic globalization on local land-use decisions. A suite of statistics was developed to assess the accuracy of model-predicted land-use outcomes relative to observed and random (i.e. null model) landscapes. At four of six sites, where environmental and demographic forces were important constraints on land-use choices, modeled land-use outcomes were more similar to those observed across sites than the null model. At the two sites in which market forces significantly influenced land-use and livelihood decisions, the model was a poorer predictor of land-use outcomes than the null model. Model successes and failures in simulating real-world land-use patterns enabled the testing of hypotheses on land-use decision-making and yielded insights on the importance of missing mechanisms. The virtual laboratory approach provides a practical framework for systematic improvement of both theory and predictive skill in land change science based on a continual process of experimentation and model enhancement. PMID:24489696

A Mobile Virtual Butler to Bridge the Gap between Users and Ambient Assisted Living: A Smart Home Case Study

PubMed Central

Costa, Nuno; Domingues, Patricio; Fdez-Riverola, Florentino; Pereira, António

2014-01-01

Ambient Intelligence promises to transform current spaces into electronic environments that are responsive, assistive and sensitive to human presence. Those electronic environments will be fully populated with dozens, hundreds or even thousands of connected devices that share information and thus become intelligent. That massive wave of electronic devices will also invade everyday objects, turning them into smart entities, keeping their native features and characteristics while seamlessly promoting them to a new class of thinking and reasoning everyday objects. Although there are strong expectations that most of the users' needs can be fulfilled without their intervention, there are still situations where interaction is required. This paper presents work being done in the field of human-computer interaction, focusing on smart home environments, while being a part of a larger project called Aging Inside a Smart Home. This initiative arose as a way to deal with a large scourge of our country, where lots of elderly persons live alone in their homes, often with limited or no physical mobility. The project relies on the mobile agent computing paradigm in order to create a Virtual Butler that provides the interface between the elderly and the smart home infrastructure. The Virtual Butler is receptive to user questions, answering them according to the context and knowledge of the AISH. It is also capable of interacting with the user whenever it senses that something has gone wrong, notifying next of kin and/or medical services, etc. The Virtual Butler is aware of the user location and moves to the computing device which is closest to the user, in order to be always present. Its avatar can also run in handheld devices keeping its main functionality in order to track user when s/he goes out. According to the evaluation carried out, the Virtual Butler is assessed as a very interesting and loved digital friend, filling the gap between the user and the smart home. The evaluation also showed that the Virtual Butler concept can be easily ported to other types of possible smart and assistive environments like airports, hospitals, shopping malls, offices, etc. PMID:25102342

Improvements of sound localization abilities by the facial ruff of the barn owl (Tyto alba) as demonstrated by virtual ruff removal.

PubMed

Hausmann, Laura; von Campenhausen, Mark; Endler, Frank; Singheiser, Martin; Wagner, Hermann

2009-11-05

When sound arrives at the eardrum it has already been filtered by the body, head, and outer ear. This process is mathematically described by the head-related transfer functions (HRTFs), which are characteristic for the spatial position of a sound source and for the individual ear. HRTFs in the barn owl (Tyto alba) are also shaped by the facial ruff, a specialization that alters interaural time differences (ITD), interaural intensity differences (ILD), and the frequency spectrum of the incoming sound to improve sound localization. Here we created novel stimuli to simulate the removal of the barn owl's ruff in a virtual acoustic environment, thus creating a situation similar to passive listening in other animals, and used these stimuli in behavioral tests. HRTFs were recorded from an owl before and after removal of the ruff feathers. Normal and ruff-removed conditions were created by filtering broadband noise with the HRTFs. Under normal virtual conditions, no differences in azimuthal head-turning behavior between individualized and non-individualized HRTFs were observed. The owls were able to respond differently to stimuli from the back than to stimuli from the front having the same ITD. By contrast, such a discrimination was not possible after the virtual removal of the ruff. Elevational head-turn angles were (slightly) smaller with non-individualized than with individualized HRTFs. The removal of the ruff resulted in a large decrease in elevational head-turning amplitudes. The facial ruff a) improves azimuthal sound localization by increasing the ITD range and b) improves elevational sound localization in the frontal field by introducing a shift of iso-ILD lines out of the midsagittal plane, which causes ILDs to increase with increasing stimulus elevation. The changes at the behavioral level could be related to the changes in the binaural physical parameters that occurred after the virtual removal of the ruff. These data provide new insights into the function of external hearing structures and open up the possibility to apply the results on autonomous agents, creation of virtual auditory environments for humans, or in hearing aids.

A mobile Virtual Butler to bridge the gap between users and ambient assisted living: a Smart Home case study.

PubMed

Costa, Nuno; Domingues, Patricio; Fdez-Riverola, Florentino; Pereira, António

2014-08-06

Ambient Intelligence promises to transform current spaces into electronic environments that are responsive, assistive and sensitive to human presence. Those electronic environments will be fully populated with dozens, hundreds or even thousands of connected devices that share information and thus become intelligent. That massive wave of electronic devices will also invade everyday objects, turning them into smart entities, keeping their native features and characteristics while seamlessly promoting them to a new class of thinking and reasoning everyday objects. Although there are strong expectations that most of the users' needs can be fulfilled without their intervention, there are still situations where interaction is required. This paper presents work being done in the field of human-computer interaction, focusing on smart home environments, while being a part of a larger project called Aging Inside a Smart Home. This initiative arose as a way to deal with a large scourge of our country, where lots of elderly persons live alone in their homes, often with limited or no physical mobility. The project relies on the mobile agent computing paradigm in order to create a Virtual Butler that provides the interface between the elderly and the smart home infrastructure. The Virtual Butler is receptive to user questions, answering them according to the context and knowledge of the AISH. It is also capable of interacting with the user whenever it senses that something has gone wrong, notifying next of kin and/or medical services, etc. The Virtual Butler is aware of the user location and moves to the computing device which is closest to the user, in order to be always present. Its avatar can also run in handheld devices keeping its main functionality in order to track user when s/he goes out. According to the evaluation carried out, the Virtual Butler is assessed as a very interesting and loved digital friend, filling the gap between the user and the smart home. The evaluation also showed that the Virtual Butler concept can be easily ported to other types of possible smart and assistive environments like airports, hospitals, shopping malls, offices, etc.

The Virtual Mission Operations Center

NASA Technical Reports Server (NTRS)

Moore, Mike; Fox, Jeffrey

1994-01-01

Spacecraft management is becoming more human intensive as spacecraft become more complex and as operations costs are growing accordingly. Several automation approaches have been proposed to lower these costs. However, most of these approaches are not flexible enough in the operations processes and levels of automation that they support. This paper presents a concept called the Virtual Mission Operations Center (VMOC) that provides highly flexible support for dynamic spacecraft management processes and automation. In a VMOC, operations personnel can be shared among missions, the operations team can change personnel and their locations, and automation can be added and removed as appropriate. The VMOC employs a form of on-demand supervisory control called management by exception to free operators from having to actively monitor their system. The VMOC extends management by exception, however, so that distributed, dynamic teams can work together. The VMOC uses work-group computing concepts and groupware tools to provide a team infrastructure, and it employs user agents to allow operators to define and control system automation.

Heteronyms and avatars: a self-reflective system for artistic activity

NASA Astrophysics Data System (ADS)

Ayiter, Elif

2012-03-01

This text will examine how avatars and the socially interactive, online virtual worlds in which they become embodied may lead to an understanding of identity and of self-perception, how such shifts in awareness may relate to the notion of the undividedly holistic 'self' and whether such perceptual shifts may be instrumental in bringing forth virtual states of experiential creative activity which may also have their precursors in the literary pseudonym, particularly as evidenced in Fernando Pessoa's conception of 'heteronyms.' The output of my study is a self-observational social system of my own creation, of which the agents are a coterie of avatars of both sexes, endowed with distinct physical attributes, both human and non-human; with uniquely emergent personalities which have progressed towards further idiosyncrasy over a period of three years. I, their creator am also the observer of their undertakings, their interactions, and their creative output, all of which manifest as disparate facets of my own persona and my artistic activity.

Logistics Process Analysis ToolProcess Analysis Tool

DOE Office of Scientific and Technical Information (OSTI.GOV)

2008-03-31

LPAT is the resulting integrated system between ANL-developed Enhanced Logistics Intra Theater Support Tool (ELIST) sponsored by SDDC-TEA and the Fort Future Virtual Installation Tool (sponsored by CERL). The Fort Future Simulation Engine was an application written in the ANL Repast Simphony framework and used as the basis for the process Anlysis Tool (PAT) which evolved into a stand=-along tool for detailed process analysis at a location. Combined with ELIST, an inter-installation logistics component was added to enable users to define large logistical agent-based models without having to program. PAT is the evolution of an ANL-developed software system called Fortmore » Future Virtual Installation Tool (sponsored by CERL). The Fort Future Simulation Engine was an application written in the ANL Repast Simphony framework and used as the basis for the Process Analysis Tool(PAT) which evolved into a stand-alone tool for detailed process analysis at a location (sponsored by the SDDC-TEA).« less

Emergency Response Virtual Environment for Safe Schools

NASA Technical Reports Server (NTRS)

Wasfy, Ayman; Walker, Teresa

2008-01-01

An intelligent emergency response virtual environment (ERVE) that provides emergency first responders, response planners, and managers with situational awareness as well as training and support for safe schools is presented. ERVE incorporates an intelligent agent facility for guiding and assisting the user in the context of the emergency response operations. Response information folders capture key information about the school. The system enables interactive 3D visualization of schools and academic campuses, including the terrain and the buildings' exteriors and interiors in an easy to use Web..based interface. ERVE incorporates live camera and sensors feeds and can be integrated with other simulations such as chemical plume simulation. The system is integrated with a Geographical Information System (GIS) to enable situational awareness of emergency events and assessment of their effect on schools in a geographic area. ERVE can also be integrated with emergency text messaging notification systems. Using ERVE, it is now possible to address safe schools' emergency management needs with a scaleable, seamlessly integrated and fully interactive intelligent and visually compelling solution.

Identification of potential influenza virus endonuclease inhibitors through virtual screening based on the 3D-QSAR model.

PubMed

Kim, J; Lee, C; Chong, Y

2009-01-01

Influenza endonucleases have appeared as an attractive target of antiviral therapy for influenza infection. With the purpose of designing a novel antiviral agent with enhanced biological activities against influenza endonuclease, a three-dimensional quantitative structure-activity relationships (3D-QSAR) model was generated based on 34 influenza endonuclease inhibitors. The comparative molecular similarity index analysis (CoMSIA) with a steric, electrostatic and hydrophobic (SEH) model showed the best correlative and predictive capability (q(2) = 0.763, r(2) = 0.969 and F = 174.785), which provided a pharmacophore composed of the electronegative moiety as well as the bulky hydrophobic group. The CoMSIA model was used as a pharmacophore query in the UNITY search of the ChemDiv compound library to give virtual active compounds. The 3D-QSAR model was then used to predict the activity of the selected compounds, which identified three compounds as the most likely inhibitor candidates.

Novel small molecule inhibitors targeting the "switch region" of bacterial RNAP: structure-based optimization of a virtual screening hit.

PubMed

Sahner, J Henning; Groh, Matthias; Negri, Matthias; Haupenthal, Jörg; Hartmann, Rolf W

2013-07-01

Rising resistance against current antibiotics necessitates the development of antibacterial agents with alternative targets. The "switch region" of RNA polymerase (RNAP), addressed by the myxopyronins, could be such a novel target site. Based on a hit candidate discovered by virtual screening, a small library of 5-phenyl-3-ureidothiophene-2-carboxylic acids was synthesized resulting in compounds with increased RNAP inhibition. Hansch analysis revealed π (lipophilicity constant) and σ (Hammet substituent constant) of the substituents at the 5-phenyl moiety to be crucial for activity. The binding mode was proven by the targeted introduction of a moiety mimicking the enecarbamate side chain of myxopyronin into the hit compound, accompanied by enhanced RNAP inhibitory potency. The new compounds displayed good antibacterial activities against Gram positive bacteria and Gram negative Escherichia coli TolC and a reduced resistance frequency compared to the established antibiotic rifampicin. Copyright © 2013 Elsevier Masson SAS. All rights reserved.

Technology Transition and Adoption: A Study in Search of Metrics for Evaluating Transition

DTIC Science & Technology

2010-12-01

Coalitions and Agents Project (Fast C2AP) 3 Direct Thermal to Electric Conversion (DTEC) 3 High-Frequency Active Auroral Project ( HAARP ) Instrument...which the technology is disruptive: 40 RAID TEAM SDS M&DC2 LCCMD DTEC AT3 WASP DOTS LASER Boomerang Virtual Autopsy  Program HAARP PCES Ultralog Sticky...RAID SDS Fast C2AP DTEC AT3 WASP Radar Scope DOTS SPEYES LASER Boomerang MAV ACTD HAARP TEAM PCES Ultralog Sticky Flare Active Templates LCCMD VIVID

Pharmacophore Modelling and Synthesis of Quinoline-3-Carbohydrazide as Antioxidants

PubMed Central

El Bakkali, Mustapha; Ismaili, Lhassane; Tomassoli, Isabelle; Nicod, Laurence; Pudlo, Marc; Refouvelet, Bernard

2011-01-01

From well-known antioxidants agents, we developed a first pharmacophore model containing four common chemical features: one aromatic ring and three hydrogen bond acceptors. This model served as a template in virtual screening of Maybridge and NCI databases that resulted in selection of sixteen compounds. The selected compounds showed a good antioxidant activity measured by three chemical tests: DPPH radical, OH° radical, and superoxide radical scavenging. New synthetic compounds with a good correlation with the model were prepared, and some of them presented a good antioxidant activity. PMID:25954520

Challenges of Toxicity Management in Immuno-Oncology.

PubMed

Andrews, Stephanie

2017-05-01

Immunotherapies are conveying unprecedented efficacy in some tumor types, but with this success comes challenges in managing toxicities that are distinct from those of cytotoxic agents. Although most immune-related adverse events can be ameliorated by temporarily withholding the drug and administering steroids, grade 3 to 4 toxicities can be challenging and some adverse effects can be long-lasting. NCCN has developed an immunotherapy teaching and monitoring tool that can help in evaluating and managing these autoimmune-mediated inflammatory conditions, which can affect virtually all organ systems. Copyright © 2017 by the National Comprehensive Cancer Network.

The role of neratinib in HER2-driven breast cancer.

PubMed

Cherian, Mathew A; Ma, Cynthia X

2017-06-30

Up to 25% of patients with early-stage HER2+ breast cancer relapse despite adjuvant trastuzumab-based regimens and virtually all patients with metastatic disease eventually die from resistance to existing treatment options. In addition, recent studies indicate that activating HER2 mutations without gene amplification could drive tumor growth in a subset of HER2-ve breast cancer that is not currently eligible for HER2-targeted agents. Neratinib is an irreversible HER kinase inhibitor with activity as extended adjuvant therapy following standard trastuzumab-based adjuvant treatment in a Phase III trial. Phase II trials of neratinib demonstrate promising activity in combination with cytotoxic agents in trastuzumab resistant metastatic HER2+ breast cancer, and either as monotherapy or in combination with fulvestrant for HER2-mutated breast cancers. We anticipate a potential role for neratinib in the therapy of these patient populations.

Activation of the proapoptotic Bcl-2 protein Bax by a small molecule induces tumor cell apoptosis.

PubMed

Zhao, Guoping; Zhu, Yanglong; Eno, Colins O; Liu, Yanlong; Deleeuw, Lynn; Burlison, Joseph A; Chaires, Jonathan B; Trent, John O; Li, Chi

2014-04-01

The proapoptotic Bcl-2 protein Bax by itself is sufficient to initiate apoptosis in almost all apoptotic paradigms. Thus, compounds that can facilitate disruptive Bax insertion into mitochondrial membranes have potential as cancer therapeutics. In our study, we have identified small-molecule compounds predicted to associate with the Bax hydrophobic groove by a virtual-screen approach. Among these, one lead compound (compound 106) promotes Bax-dependent but not Bak-dependent apoptosis. Importantly, this compound alters Bax protein stability in vitro and promotes the insertion of Bax into mitochondria, leading to Bax-dependent permeabilization of the mitochondrial outer membrane. Furthermore, as a single agent, compound 106 inhibits the growth of transplanted tumors, probably by inducing apoptosis in tumors. Our study has revealed a compound that activates Bax and induces Bax-dependent apoptosis, which may lead to the development of new therapeutic agents for cancer.

Coordinating teams of autonomous vehicles: an architectural perspective

NASA Astrophysics Data System (ADS)

Czichon, Cary; Peterson, Robert W.; Mettala, Erik G.; Vondrak, Ivo

2005-05-01

In defense-related robotics research, a mission level integration gap exists between mission tasks (tactical) performed by ground, sea, or air applications and elementary behaviors enacted by processing, communications, sensors, and weaponry resources (platform specific). The gap spans ensemble (heterogeneous team) behaviors, automatic MOE/MOP tracking, and tactical task modeling/simulation for virtual and mixed teams comprised of robotic and human combatants. This study surveys robotic system architectures, compares approaches for navigating problem/state spaces by autonomous systems, describes an architecture for an integrated, repository-based modeling, simulation, and execution environment, and outlines a multi-tiered scheme for robotic behavior components that is agent-based, platform-independent, and extendable via plug-ins. Tools for this integrated environment, along with a distributed agent framework for collaborative task performance are being developed by a U.S. Army funded SBIR project (RDECOM Contract N61339-04-C-0005).

Development of an evolutionary simulator and an overall control system for intelligent wheelchair

NASA Astrophysics Data System (ADS)

Imai, Makoto; Kawato, Koji; Hamagami, Tomoki; Hirata, Hironori

The goal of this research is to develop an intelligent wheelchair (IWC) system which aids an indoor safe mobility for elderly and disabled people with a new conceptual architecture which realizes autonomy, cooperativeness, and a collaboration behavior. In order to develop the IWC system in real environment, we need design-tools and flexible architecture. In particular, as more significant ones, this paper describes two key techniques which are an evolutionary simulation and an overall control mechanism. The evolutionary simulation technique corrects the error between the virtual environment in a simulator and real one in during the learning of an IWC agent, and coevolves with the agent. The overall control mechanism is implemented with subsumption architecture which is employed in an autonomous robot controller. By using these techniques in both simulations and experiments, we confirm that our IWC system acquires autonomy, cooperativeness, and a collaboration behavior efficiently.

Targeted delivery of anti-tuberculosis drugs to macrophages: targeting mannose receptors

NASA Astrophysics Data System (ADS)

Filatova, L. Yu; Klyachko, N. L.; Kudryashova, E. V.

2018-04-01

The development of systems for targeted delivery of anti-tuberculosis drugs is a challenge of modern biotechnology. Currently, these drugs are encapsulated in a variety of carriers such as liposomes, polymers, emulsions and so on. Despite successful in vitro testing of these systems, virtually no success was achieved in vivo, because of low accessibility of the foci of infection located in alveolar macrophage cells. A promising strategy for increasing the efficiency of therapeutic action of anti-tuberculosis drugs is to encapsulate the agents into mannosylated carriers targeting the mannose receptors of alveolar macrophages. The review addresses the methods for modification of drug substance carriers, such as liposomes and biodegradable polymers, with mannose residues. The use of mannosylated carriers to deliver anti-tuberculosis agents increases the drug circulation time in the blood stream and increases the drug concentration in alveolar macrophage cells. The bibliography includes 113 references.

Traditional Chinese medicine and Western psychopharmacology: building bridges.

PubMed

Shorter, Edward; Segesser, Kathryn

2013-12-01

This paper demonstrates that in the treatment of psychiatric disorders, there are striking similarities between the mechanisms of psychoactive agents used in Traditional Chinese Medicine (TCM) and those of western psychopharmacology. While western researchers search for new treatments and novel mechanisms of action, investigators in Asia are analyzing traditional remedies in order to understand the mechanisms responsible for their effectiveness. A review of contemporary pharmacologic studies of agents used in TCM for psychiatric indications reveals that virtually all of the active principles of drug action established in 20th century psychopharmacology were encountered empirically in Chinese herbal medicine over the past 2000 years. Building bridges between these two traditions may thus be of benefit to both cultures. In addition to providing western patients with a wider selection of treatment options, the effort may help Asian clinicians and researchers avoid some of the errors that have troubled their western counterparts. Copyright © 2013 John Wiley & Sons, Ltd.

Structure-based discovery of pyrazolobenzothiazine derivatives as inhibitors of hepatitis C virus replication

PubMed Central

Barreca, Maria Letizia; Manfroni, Giuseppe; Leyssen, Pieter; Winquist, Johan; Kaushik-Basu, Neerja; Paeshuyse, Jan; Krishnan, Ramalingam; Iraci, Nunzio; Sabatini, Stefano; Tabarrini, Oriana; Basu, Amartya; Danielson, U. Helena; Neyts, Johan; Cecchetti, Violetta

2013-01-01

The NS5B RNA-dependent RNA polymerase is an attractive target for the development of novel and selective inhibitors of hepatitis C virus replication. In order to identify novel structural hits as anti-HCV agents, we performed structure-based virtual screening of our in-house library followed by rational drug design, organic synthesis and biological testing. These studies led to the identification of pyrazolobenzothiazine scaffold as a suitable template for obtaining novel anti-HCV agents targeting the NS5B polymerase. The best compound of this series was the meta-fluoro-N-1-phenyl pyrazolobenzothiazine derivative 4a, which exhibited an EC50= 3.6 µM, EC90= 25.6 µM and CC50 > 180 µM in the Huh 9–13 replicon system, thus providing a good starting point for further hit evolution. PMID:23409936

Broad spectrum antiviral agent ribavirin inhibits capping of mRNA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goswami, B.B.; Borek, E.; Sharma, O.K.

1979-08-13

Ribavirin (1-..beta..-D-ribofuranosyl-1,2,4-triazole-3-carboxamide) is a broad spectrum antiviral substance active against a wide range of both DNA and RNA viruses. It is, however, virtually inactive against polio virus. Its pharmacological mechanism of action was obscure. A possible common target for a chemotherapeutic agent in both DNA and RNA viruses is the capping reaction of mRNAs which inter alia involves the formation of a guanine pyrophosphate structure at the 5' terminus by mRNA guanylyl transferase. We have observed that Ribavirin triphosphate is a potent competitive inhibitor of the capping guanylation of viral mRNA. This finding could account for the antiviral potency ofmore » the drug against both DNA and RNA viruses and its ineffectiveness against a virus in which the mRNAs derived from them are not capped.« less

Activation of the Proapoptotic Bcl-2 Protein Bax by a Small Molecule Induces Tumor Cell Apoptosis

PubMed Central

Zhao, Guoping; Zhu, Yanglong; Eno, Colins O.; Liu, Yanlong; DeLeeuw, Lynn; Burlison, Joseph A.; Chaires, Jonathan B.; Trent, John O.

2014-01-01

The proapoptotic Bcl-2 protein Bax by itself is sufficient to initiate apoptosis in almost all apoptotic paradigms. Thus, compounds that can facilitate disruptive Bax insertion into mitochondrial membranes have potential as cancer therapeutics. In our study, we have identified small-molecule compounds predicted to associate with the Bax hydrophobic groove by a virtual-screen approach. Among these, one lead compound (compound 106) promotes Bax-dependent but not Bak-dependent apoptosis. Importantly, this compound alters Bax protein stability in vitro and promotes the insertion of Bax into mitochondria, leading to Bax-dependent permeabilization of the mitochondrial outer membrane. Furthermore, as a single agent, compound 106 inhibits the growth of transplanted tumors, probably by inducing apoptosis in tumors. Our study has revealed a compound that activates Bax and induces Bax-dependent apoptosis, which may lead to the development of new therapeutic agents for cancer. PMID:24421393

Modelling multimodal expression of emotion in a virtual agent.

PubMed

Pelachaud, Catherine

2009-12-12

Over the past few years we have been developing an expressive embodied conversational agent system. In particular, we have developed a model of multimodal behaviours that includes dynamism and complex facial expressions. The first feature refers to the qualitative execution of behaviours. Our model is based on perceptual studies and encompasses several parameters that modulate multimodal behaviours. The second feature, the model of complex expressions, follows a componential approach where a new expression is obtained by combining facial areas of other expressions. Lately we have been working on adding temporal dynamism to expressions. So far they have been designed statically, typically at their apex. Only full-blown expressions could be modelled. To overcome this limitation, we have defined a representation scheme that describes the temporal evolution of the expression of an emotion. It is no longer represented by a static definition but by a temporally ordered sequence of multimodal signals.

Implementing Artificial Intelligence Behaviors in a Virtual World

NASA Technical Reports Server (NTRS)

Krisler, Brian; Thome, Michael

2012-01-01

In this paper, we will present a look at the current state of the art in human-computer interface technologies, including intelligent interactive agents, natural speech interaction and gestural based interfaces. We describe our use of these technologies to implement a cost effective, immersive experience on a public region in Second Life. We provision our Artificial Agents as a German Shepherd Dog avatar with an external rules engine controlling the behavior and movement. To interact with the avatar, we implemented a natural language and gesture system allowing the human avatars to use speech and physical gestures rather than interacting via a keyboard and mouse. The result is a system that allows multiple humans to interact naturally with AI avatars by playing games such as fetch with a flying disk and even practicing obedience exercises using voice and gesture, a natural seeming day in the park.

Design of a Mobile Agent-Based Adaptive Communication Middleware for Federations of Critical Infrastructure Simulations

NASA Astrophysics Data System (ADS)

Görbil, Gökçe; Gelenbe, Erol

The simulation of critical infrastructures (CI) can involve the use of diverse domain specific simulators that run on geographically distant sites. These diverse simulators must then be coordinated to run concurrently in order to evaluate the performance of critical infrastructures which influence each other, especially in emergency or resource-critical situations. We therefore describe the design of an adaptive communication middleware that provides reliable and real-time one-to-one and group communications for federations of CI simulators over a wide-area network (WAN). The proposed middleware is composed of mobile agent-based peer-to-peer (P2P) overlays, called virtual networks (VNets), to enable resilient, adaptive and real-time communications over unreliable and dynamic physical networks (PNets). The autonomous software agents comprising the communication middleware monitor their performance and the underlying PNet, and dynamically adapt the P2P overlay and migrate over the PNet in order to optimize communications according to the requirements of the federation and the current conditions of the PNet. Reliable communications is provided via redundancy within the communication middleware and intelligent migration of agents over the PNet. The proposed middleware integrates security methods in order to protect the communication infrastructure against attacks and provide privacy and anonymity to the participants of the federation. Experiments with an initial version of the communication middleware over a real-life networking testbed show that promising improvements can be obtained for unicast and group communications via the agent migration capability of our middleware.

The Lagrangian Ensemble metamodel for simulating plankton ecosystems

NASA Astrophysics Data System (ADS)

Woods, J. D.

2005-10-01

This paper presents a detailed account of the Lagrangian Ensemble (LE) metamodel for simulating plankton ecosystems. It uses agent-based modelling to describe the life histories of many thousands of individual plankters. The demography of each plankton population is computed from those life histories. So too is bio-optical and biochemical feedback to the environment. The resulting “virtual ecosystem” is a comprehensive simulation of the plankton ecosystem. It is based on phenotypic equations for individual micro-organisms. LE modelling differs significantly from population-based modelling. The latter uses prognostic equations to compute demography and biofeedback directly. LE modelling diagnoses them from the properties of individual micro-organisms, whose behaviour is computed from prognostic equations. That indirect approach permits the ecosystem to adjust gracefully to changes in exogenous forcing. The paper starts with theory: it defines the Lagrangian Ensemble metamodel and explains how LE code performs a number of computations “behind the curtain”. They include budgeting chemicals, and deriving biofeedback and demography from individuals. The next section describes the practice of LE modelling. It starts with designing a model that complies with the LE metamodel. Then it describes the scenario for exogenous properties that provide the computation with initial and boundary conditions. These procedures differ significantly from those used in population-based modelling. The next section shows how LE modelling is used in research, teaching and planning. The practice depends largely on hindcasting to overcome the limits to predictability of weather forecasting. The scientific method explains observable ecosystem phenomena in terms of finer-grained processes that cannot be observed, but which are controlled by the basic laws of physics, chemistry and biology. What-If? Prediction ( WIP), used for planning, extends hindcasting by adding events that describe natural or man-made hazards and remedial actions. Verification is based on the Ecological Turing Test, which takes account of uncertainties in the observed and simulated versions of a target ecological phenomenon. The rest of the paper is devoted to a case study designed to show what LE modelling offers the biological oceanographer. The case study is presented in two parts. The first documents the WB model (Woods & Barkmann, 1994) and scenario used to simulate the ecosystem in a mesocosm moored in deep water off the Azores. The second part illustrates the emergent properties of that virtual ecosystem. The behaviour and development of an individual plankton lineage are revealed by an audit trail of the agent used in the computation. The fields of environmental properties reveal the impact of biofeedback. The fields of demographic properties show how changes in individuals cumulatively affect the birth and death rates of their population. This case study documents the virtual ecosystem used by Woods, Perilli and Barkmann (2005; hereafter WPB); to investigate the stability of simulations created by the Lagrangian Ensemble metamodel. The Azores virtual ecosystem was created and analysed on the Virtual Ecology Workbench (VEW) which is described briefly in the Appendix.

Novel Mycosin Protease MycP1 Inhibitors Identified by Virtual Screening and 4D Fingerprints

PubMed Central

2015-01-01

The rise of drug-resistant Mycobacterium tuberculosis lends urgency to the need for new drugs for the treatment of tuberculosis (TB). The identification of a serine protease, mycosin protease-1 (MycP1), as the crucial agent in hydrolyzing the virulence factor, ESX-secretion-associated protein B (EspB), potentially opens the door to new tuberculosis treatment options. Using the crystal structure of mycobacterial MycP1 in the apo form, we performed an iterative ligand- and structure-based virtual screening (VS) strategy to identify novel, nonpeptide, small-molecule inhibitors against MycP1 protease. Screening of ∼485 000 ligands from databases at the Genomics Research Institute (GRI) at the University of Cincinnati and the National Cancer Institute (NCI) using our VS approach, which integrated a pharmacophore model and consensus molecular shape patterns of active ligands (4D fingerprints), identified 81 putative inhibitors, and in vitro testing subsequently confirmed two of them as active inhibitors. Thereafter, the lead structures of each VS round were used to generate a new 4D fingerprint that enabled virtual rescreening of the chemical libraries. Finally, the iterative process identified a number of diverse scaffolds as lead compounds that were tested and found to have micromolar IC50 values against the MycP1 target. This study validated the efficiency of the SABRE 4D fingerprints as a means of identifying novel lead compounds in each screening round of the databases. Together, these results underscored the value of using a combination of in silico iterative ligand- and structure-based virtual screening of chemical libraries with experimental validation for the identification of promising structural scaffolds, such as the MycP1 inhibitors. PMID:24628123

Compartmental and Spatial Rule-Based Modeling with Virtual Cell.

PubMed

Blinov, Michael L; Schaff, James C; Vasilescu, Dan; Moraru, Ion I; Bloom, Judy E; Loew, Leslie M

2017-10-03

In rule-based modeling, molecular interactions are systematically specified in the form of reaction rules that serve as generators of reactions. This provides a way to account for all the potential molecular complexes and interactions among multivalent or multistate molecules. Recently, we introduced rule-based modeling into the Virtual Cell (VCell) modeling framework, permitting graphical specification of rules and merger of networks generated automatically (using the BioNetGen modeling engine) with hand-specified reaction networks. VCell provides a number of ordinary differential equation and stochastic numerical solvers for single-compartment simulations of the kinetic systems derived from these networks, and agent-based network-free simulation of the rules. In this work, compartmental and spatial modeling of rule-based models has been implemented within VCell. To enable rule-based deterministic and stochastic spatial simulations and network-free agent-based compartmental simulations, the BioNetGen and NFSim engines were each modified to support compartments. In the new rule-based formalism, every reactant and product pattern and every reaction rule are assigned locations. We also introduce the rule-based concept of molecular anchors. This assures that any species that has a molecule anchored to a predefined compartment will remain in this compartment. Importantly, in addition to formulation of compartmental models, this now permits VCell users to seamlessly connect reaction networks derived from rules to explicit geometries to automatically generate a system of reaction-diffusion equations. These may then be simulated using either the VCell partial differential equations deterministic solvers or the Smoldyn stochastic simulator. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

SOMM: A New Service Oriented Middleware for Generic Wireless Multimedia Sensor Networks Based on Code Mobility

PubMed Central

Faghih, Mohammad Mehdi; Moghaddam, Mohsen Ebrahimi

2011-01-01

Although much research in the area of Wireless Multimedia Sensor Networks (WMSNs) has been done in recent years, the programming of sensor nodes is still time-consuming and tedious. It requires expertise in low-level programming, mainly because of the use of resource constrained hardware and also the low level API provided by current operating systems. The code of the resulting systems has typically no clear separation between application and system logic. This minimizes the possibility of reusing code and often leads to the necessity of major changes when the underlying platform is changed. In this paper, we present a service oriented middleware named SOMM to support application development for WMSNs. The main goal of SOMM is to enable the development of modifiable and scalable WMSN applications. A network which uses the SOMM is capable of providing multiple services to multiple clients at the same time with the specified Quality of Service (QoS). SOMM uses a virtual machine with the ability to support mobile agents. Services in SOMM are provided by mobile agents and SOMM also provides a t space on each node which agents can use to communicate with each other. PMID:22346646

SOMM: A new service oriented middleware for generic wireless multimedia sensor networks based on code mobility.

PubMed

Faghih, Mohammad Mehdi; Moghaddam, Mohsen Ebrahimi

2011-01-01

Although much research in the area of Wireless Multimedia Sensor Networks (WMSNs) has been done in recent years, the programming of sensor nodes is still time-consuming and tedious. It requires expertise in low-level programming, mainly because of the use of resource constrained hardware and also the low level API provided by current operating systems. The code of the resulting systems has typically no clear separation between application and system logic. This minimizes the possibility of reusing code and often leads to the necessity of major changes when the underlying platform is changed. In this paper, we present a service oriented middleware named SOMM to support application development for WMSNs. The main goal of SOMM is to enable the development of modifiable and scalable WMSN applications. A network which uses the SOMM is capable of providing multiple services to multiple clients at the same time with the specified Quality of Service (QoS). SOMM uses a virtual machine with the ability to support mobile agents. Services in SOMM are provided by mobile agents and SOMM also provides a t space on each node which agents can use to communicate with each other.

Carboxylesterase inhibitors

PubMed Central

Hatfield, M. Jason; Potter, Philip M.

2011-01-01

Introduction Carboxylesterases play major roles in the hydrolysis of numerous therapeutically active compounds. This is, in part, due to the prevalence of the ester moiety in these small molecules. However, the impact these enzymes may play on drug stability and pharmacokinetics is rarely considered prior to molecule development. Therefore, the application of selective inhibitors of this class of proteins may have utility in modulating the metabolism, distribution and toxicity of agents that are subjected to enzyme hydrolysis. Areas covered This review details the development of all such compounds dating back to 1986, but principally focuses on the very recent identification of selective human carboxylesterases inhibitors. Expert opinion The implementation of carboxylesterase inhibitors may significantly revolutionize drug discovery. Such molecules may allow for improved efficacy of compounds inactivated by this class of enzymes and/or reduce the toxicity of agents that are activated by these proteins. Furthermore, since lack of carboxylesterase activity appears to have no obvious biological consequence, these compounds could be applied in combination with virtually any esterified drug. Therefore, inhibitors of these proteins may have utility in altering drug hydrolysis and distribution in vivo. The characteristics, chemical and biological properties, and potential uses of such agents, are discussed here. PMID:21609191

Modeling social learning of language and skills.

PubMed

Vogt, Paul; Haasdijk, Evert

2010-01-01

We present a model of social learning of both language and skills, while assuming—insofar as possible—strict autonomy, virtual embodiment, and situatedness. This model is built by integrating various previous models of language development and social learning, and it is this integration that, under the mentioned assumptions, provides novel challenges. The aim of the article is to investigate what sociocognitive mechanisms agents should have in order to be able to transmit language from one generation to the next so that it can be used as a medium to transmit internalized rules that represent skill knowledge. We have performed experiments where this knowledge solves the familiar poisonous-food problem. Simulations reveal under what conditions, regarding population structure, agents can successfully solve this problem. In addition to issues relating to perspective taking and mutual exclusivity, we show that agents need to coordinate interactions so that they can establish joint attention in order to form a scaffold for language learning, which in turn forms a scaffold for the learning of rule-based skills. Based on these findings, we conclude by hypothesizing that social learning at one level forms a scaffold for the social learning at another, higher level, thus contributing to the accumulation of cultural knowledge.

Laboratory evaluation of anti-biofilm agents for use in dental unit waterlines.

PubMed

Meiller, T F; Kelley, J I; Baqui, A A; DePaola, L G

2001-01-01

Dental unit waterline biofilm has been recognized as a potential point of contamination and a risk to patients with any level of immunocompromise. Biofilm in dental unit waterlines, once established, has proven formidable to efforts in disinfection/disruption. This project compared standardized evaluation techniques by assessing the efficacy of a variety of agents that have been reported or suggested as useful in surface disinfection and/or antiseptic protocols. The zones of inhibition, minimum inhibitory/bactericidal concentrations and use-dilution with stainless steel carrier replicates tests assessed the disinfection of planktonic organisms using standardized microbial testing procedures. The disruption and/or disinfection of planktonic and biofilm organisms within naturally occurring dental unit waterlines were evaluated by culture and scanning electron microscopy. The six commercially available antimicrobial agents used to assess the techniques were bleach (sodium hypochlorite), Cavicide, glutaraldehyde, Listerine Antiseptic, Peridex and Sterilex Ultra. Comparisons between the results for each technique evaluated were determined for each product. All six agents demonstrated antimicrobial efficacy at the working concentrations designated by the manufacturers. Biofilm matrix elimination evaluated by scanning electron microscopy found virtually 0% elimination by glutaraldehyde to an estimated 90% elimination by Sterilex Ultra and bleach after one treatment. Treatment with Cavicide, Listerine Antiseptic and Peridex resulted in negligible elimination of the biofilm matrix. For comparability, the use of standardized testing techniques to evaluate a disinfection agent's efficacy against dental unit waterline contamination is essential. This project demonstrates a model system for evaluating disinfection agents potentially useful in the management of dental unit waterline biofilm, and should assist in educating the dental clinician in the appraisal of existing and future product claims.

Why we interact: on the functional role of the striatum in the subjective experience of social interaction.

PubMed

Pfeiffer, Ulrich J; Schilbach, Leonhard; Timmermans, Bert; Kuzmanovic, Bojana; Georgescu, Alexandra L; Bente, Gary; Vogeley, Kai

2014-11-01

There is ample evidence that human primates strive for social contact and experience interactions with conspecifics as intrinsically rewarding. Focusing on gaze behavior as a crucial means of human interaction, this study employed a unique combination of neuroimaging, eye-tracking, and computer-animated virtual agents to assess the neural mechanisms underlying this component of behavior. In the interaction task, participants believed that during each interaction the agent's gaze behavior could either be controlled by another participant or by a computer program. Their task was to indicate whether they experienced a given interaction as an interaction with another human participant or the computer program based on the agent's reaction. Unbeknownst to them, the agent was always controlled by a computer to enable a systematic manipulation of gaze reactions by varying the degree to which the agent engaged in joint attention. This allowed creating a tool to distinguish neural activity underlying the subjective experience of being engaged in social and non-social interaction. In contrast to previous research, this allows measuring neural activity while participants experience active engagement in real-time social interactions. Results demonstrate that gaze-based interactions with a perceived human partner are associated with activity in the ventral striatum, a core component of reward-related neurocircuitry. In contrast, interactions with a computer-driven agent activate attention networks. Comparisons of neural activity during interaction with behaviorally naïve and explicitly cooperative partners demonstrate different temporal dynamics of the reward system and indicate that the mere experience of engagement in social interaction is sufficient to recruit this system. Copyright © 2014 Elsevier Inc. All rights reserved.

CHLORPYRIFOS DEVELOPMENTAL NEUROTOXICITY: INTERACTION WITH GLUCOCORTICOIDS IN PC12 CELLS

PubMed Central

Slotkin, Theodore A.; Card, Jennifer; Seidler, Frederic J.

2012-01-01

Prenatal coexposures to glucocorticoids and organophosphate pesticides are widespread. Glucocorticoids are elevated by maternal stress and are commonly given in preterm labor; organophosphate exposures are virtually ubiquitous. We used PC12 cells undergoing neurodifferentiation in order to assess whether dexamethasone enhances the developmental neurotoxicity of chlorpyrifos, focusing on concentrations relevant to human exposures. By themselves, each agent reduced the number of cells and the combined exposure elicited a correspondingly greater effect than with either agent alone. There was no general cytotoxicity, as cell growth was actually enhanced, and again, the combined treatment evoked greater cellular hypertrophy than with the individual compounds. The effects on neurodifferentiation were more complex. Chlorpyrifos alone had a promotional effect on neuri to genesis whereas dexamethasone impaired it; combined treatment showed an overall impairment greater than that seen with dexamethasone alone. The effect of chlorpyrifos on differentiation into specific neurotransmitter phenotypes was shifted by dexamethasone. Either agent alone promoted differentiation into the dopaminergic phenotype at the expense of the cholinergic phenotype. However, in dexamethasone-primed cells, chlorpyrifos actually enhanced cholinergic neurodifferentiation instead of suppressing this phenotype. Our results indicate that developmental exposure to glucocorticoids, either in the context of stress or the therapy of preterm labor, could enhance the developmental neurotoxicity of organophosphates and potentially of other neurotoxicants, as well as producing neurobehavioral outcomes distinct from those seen with either individual agent. PMID:22796634

Embodying Others in Immersive Virtual Reality: Electro-Cortical Signatures of Monitoring the Errors in the Actions of an Avatar Seen from a First-Person Perspective.

PubMed

Pavone, Enea Francesco; Tieri, Gaetano; Rizza, Giulia; Tidoni, Emmanuele; Grisoni, Luigi; Aglioti, Salvatore Maria

2016-01-13

Brain monitoring of errors in one's own and other's actions is crucial for a variety of processes, ranging from the fine-tuning of motor skill learning to important social functions, such as reading out and anticipating the intentions of others. Here, we combined immersive virtual reality and EEG recording to explore whether embodying the errors of an avatar by seeing it from a first-person perspective may activate the error monitoring system in the brain of an onlooker. We asked healthy participants to observe, from a first- or third-person perspective, an avatar performing a correct or an incorrect reach-to-grasp movement toward one of two virtual mugs placed on a table. At the end of each trial, participants reported verbally how much they embodied the avatar's arm. Ratings were maximal in first-person perspective, indicating that immersive virtual reality can be a powerful tool to induce embodiment of an artificial agent, even through mere visual perception and in the absence of any cross-modal boosting. Observation of erroneous grasping from a first-person perspective enhanced error-related negativity and medial-frontal theta power in the trials where human onlookers embodied the virtual character, hinting at the tight link between early, automatic coding of error detection and sense of embodiment. Error positivity was similar in 1PP and 3PP, suggesting that conscious coding of errors is similar for self and other. Thus, embodiment plays an important role in activating specific components of the action monitoring system when others' errors are coded as if they are one's own errors. Detecting errors in other's actions is crucial for social functions, such as reading out and anticipating the intentions of others. Using immersive virtual reality and EEG recording, we explored how the brain of an onlooker reacted to the errors of an avatar seen from a first-person perspective. We found that mere observation of erroneous actions enhances electrocortical markers of error detection in the trials where human onlookers embodied the virtual character. Thus, the cerebral system for action monitoring is maximally activated when others' errors are coded as if they are one's own errors. The results have important implications for understanding how the brain can control the external world and thus creating new brain-computer interfaces. Copyright © 2016 the authors 0270-6474/16/360268-12$15.00/0.

Work of community health agents in the Family Health Strategy: meta-synthesis

PubMed Central

Alonso, Carolina Maria do Carmo; Béguin, Pascal Daniel; Duarte, Francisco José de Castro Moura

2018-01-01

ABSTRACT OBJECTIVE To systematize and analyze the evidence from qualitative studies that address the perception of Brazilian Community Health Agents about their work. METHODS This is a systematic review of the meta-synthesis type on the work of community health agents, carried out from the Virtual Health Library using the descriptors “Agente Comunitário de Saúde” and “Trabalho”, in Portuguese. The strategy was constructed by crossing descriptors, using the Boolean operator “AND”, and filtering Brazilian articles, published from 2004 to 2014, which resulted in 129 identified articles. We removed quantitative or quanti-qualitative research articles, essays, debates, literature reviews, reports of experiences, and research that did not include Brazilian Community Health Agents as subjects. Using these criteria, we selected and analyzed 33 studies that allowed us to identify common subjects and differences between them, to group the main conclusions, to classify subjects, and to interpret the content. RESULTS The analysis resulted in three thematic units: characteristics of the work of community health agents, problems related to the work of community health agents, and positive aspects of the work of community health agents. On the characteristics, we could see that the work of the community health agents is permeated by the political and social dimensions of the health work with predominant use of light technologies. The main input is the knowledge that this professional obtains with the contact with families, which is developed with home visits. On the problems in the work of community health agents, we could identify the lack of limits in their attributions, poor conditions, obstacles in the relationship with the community and teams, weak professional training, and bureaucracy. The positive aspects we identified were the recognition of the work by families, resolution, bonding, work with peers, and work close to home. CONCLUSIONS This review provided an overview of the difficulties and positive aspects that are present in the daily work of community health agents. Given this, we have raised two challenges. The first one refers to how public policy makers need to appropriation the research results and the second one refers to the need to invest in studies that are designed to generate solutions for the difficulties faced by community health agents in their work. PMID:29489997

Work of community health agents in the Family Health Strategy: meta-synthesis.

PubMed

Alonso, Carolina Maria do Carmo; Béguin, Pascal Daniel; Duarte, Francisco José de Castro Moura

2018-01-01

OBJECTIVE To systematize and analyze the evidence from qualitative studies that address the perception of Brazilian Community Health Agents about their work. METHODS This is a systematic review of the meta-synthesis type on the work of community health agents, carried out from the Virtual Health Library using the descriptors "Agente Comunitário de Saúde" and "Trabalho", in Portuguese. The strategy was constructed by crossing descriptors, using the Boolean operator "AND", and filtering Brazilian articles, published from 2004 to 2014, which resulted in 129 identified articles. We removed quantitative or quanti-qualitative research articles, essays, debates, literature reviews, reports of experiences, and research that did not include Brazilian Community Health Agents as subjects. Using these criteria, we selected and analyzed 33 studies that allowed us to identify common subjects and differences between them, to group the main conclusions, to classify subjects, and to interpret the content. RESULTS The analysis resulted in three thematic units: characteristics of the work of community health agents, problems related to the work of community health agents, and positive aspects of the work of community health agents. On the characteristics, we could see that the work of the community health agents is permeated by the political and social dimensions of the health work with predominant use of light technologies. The main input is the knowledge that this professional obtains with the contact with families, which is developed with home visits. On the problems in the work of community health agents, we could identify the lack of limits in their attributions, poor conditions, obstacles in the relationship with the community and teams, weak professional training, and bureaucracy. The positive aspects we identified were the recognition of the work by families, resolution, bonding, work with peers, and work close to home. CONCLUSIONS This review provided an overview of the difficulties and positive aspects that are present in the daily work of community health agents. Given this, we have raised two challenges. The first one refers to how public policy makers need to appropriation the research results and the second one refers to the need to invest in studies that are designed to generate solutions for the difficulties faced by community health agents in their work.

Real payoffs and virtual trading in agent based market models

NASA Astrophysics Data System (ADS)

Ferreira, Fernando F.; Marsili, Matteo

2005-01-01

The -Game was recently introduced as an extension of the Minority Game. In this paper we compare this model with the well know Minority Game and the Majority Game models. Due to the inter-temporal nature of the market payoff, we introduce a two step transaction with single and mixed group of interacting traders. When the population is composed of two different group of -traders, they show an anti-imitative behavior. However, when they interact with minority or majority players the $-population imitates the usual behavior of these players. Finally we discuss how these models contribute to clarify the market mechanism.

APPLICATIONS OF THE PLASTIC FILM TECHNIQUE IN THE ISOLATION AND STUDY OF ANAEROBIC BACTERIA

PubMed Central

Shank, J. L.

1963-01-01

Shank, J. L. (Swift & Co., Chicago, Ill.). Applications of the plastic film technique in the isolation and study of anaerobic bacteria. J. Bacteriol. 86:95–100. 1963.—The use of plastic films as oxygen barriers on the surface of agar pour plates, in conjunction with thioglycolate and other selective and differential agents, allows the primary isolation and enumeration of clostridia and other anaerobes. Quantitative studies reveal little if any inhibition of the test organisms under these conditions, and toxin production, where it occurs, is shown to be virtually unimpaired. Images PMID:14051828

NMR-Fragment Based Virtual Screening: A Brief Overview.

PubMed

Singh, Meenakshi; Tam, Benjamin; Akabayov, Barak

2018-01-25

Fragment-based drug discovery (FBDD) using NMR has become a central approach over the last twenty years for development of small molecule inhibitors against biological macromolecules, to control a variety of cellular processes. Yet, several considerations should be taken into account for obtaining a therapeutically relevant agent. In this review, we aim to list the considerations that make NMR fragment screening a successful process for yielding potent inhibitors. Factors that may govern the competence of NMR in fragment based drug discovery are discussed, as well as later steps that involve optimization of hits obtained by NMR-FBDD.

Improving Human Effectiveness Through Embedded Virtual Simulation (Amelioration de l’efficacite humaine grace a la simulation virtuelle integree)

DTIC Science & Technology

2014-01-01

mesurer leur expérience. Le groupe a rencontré des experts des technologies associées : les environnements virtuels, la réalité augmentée, les agents...virtuels, l’entraînement, l’ergonomie et la performance humaine. Les réflexions et conclusions issues de ces réunions et discussions sont résumées dans...en matière de EVS/ET (incluant les caractéristiques de l’utilisateur, la mission et l’environnement) et la gestion de l’entraînement est un

Method for recovery of actinides from refractory oxides thereof using O.sub. F.sub.2

DOEpatents

Asprey, Larned B.; Eller, Phillip G.

1988-01-01

Method for recovery of actinides from nuclear waste material containing sintered and other oxides thereof using O.sub.2 F.sub.2 to generate the hexafluorides of the actinides present therein. The fluorinating agent, O.sub.2 F.sub.2, has been observed to perform the above-described tasks at sufficiently low temperatures that there is virtually no damage to the containment vessels. Moreover, the resulting actinide hexafluorides are not destroyed by high temperature reactions with the walls of the reaction vessel. Dioxygen difluoride is readily prepared, stored and transferred to the place of reaction.

Virtual screening, SAR, and discovery of 5-(indole-3-yl)-2-[(2-nitrophenyl)amino] [1,3,4]-oxadiazole as a novel Bcl-2 inhibitor.

PubMed

Ziedan, Noha I; Hamdy, Rania; Cavaliere, Alessandra; Kourti, Malamati; Prencipe, Filippo; Brancale, Andrea; Jones, Arwyn T; Westwell, Andrew D

2017-07-01

A new series of oxadiazoles were designed to act as inhibitors of the anti-apoptotic Bcl-2 protein. Virtual screening led to the discovery of new hits that interact with Bcl-2 at the BH3 binding pocket. Further study of the structure-activity relationship of the most active compound of the first series, compound 1, led to the discovery of a novel oxadiazole analogue, compound 16j, that was a more potent small-molecule inhibitor of Bcl-2. 16j had good in vitro inhibitory activity with submicromolar IC 50 values in a metastatic human breast cancer cell line (MDA-MB-231) and a human cervical cancer cell line (HeLa). The antitumour effect of 16j is concomitant with its ability to bind to Bcl-2 protein as shown by an enzyme-linked immunosorbent assay (IC 50  = 4.27 μm). Compound 16j has a great potential to develop into highly active anticancer agent. © 2017 John Wiley & Sons A/S.

Inhibitors of SARS-3CLpro: Virtual Screening, Biological Evaluation and Molecular Dynamics Simulation Studies

PubMed Central

Mukherjee, Prasenjit; Shah, Falgun; Desai, Prashant; Avery, Mitchell

2011-01-01

SARS-CoV from the coronaviridae family has been identified as the etiological agent of Severe Acute Respiratory Syndrome (SARS), a highly contagious upper respiratory disease that reached epidemic status in 2002. SARS-3CLpro, a cysteine protease indispensible to the viral life cycle, has been identified as one of the key therapeutic target against SARS. A combined ligand and structure based virtual screening was carried out against the Asinex Platinum collection. Multiple low micromolar inhibitors of the enzyme were identified through this search, one of which also showed activity against SARS-CoV in a whole cell CPE assay. Furthermore, multi nanosecond explicit solvent simulations were carried out using the docking poses of the identified hits to study the overall stability of the binding site interactions as well as identify important changes in the interaction profile that were not apparent from the docking study. Cumulative analysis of the evaluated compounds and the simulation studies led to the identification of certain protein-ligand interaction patterns which would be useful in further structure based design efforts. PMID:21604711

Virtual Screening and Molecular Dynamics Simulations from a Bank of Molecules of the Amazon Region Against Functional NS3-4A Protease-Helicase Enzyme of Hepatitis C Virus.

PubMed

Pinheiro, Alan Sena; Duarte, Jaqueline Bianca Carvalho; Alves, Cláudio Nahum; de Molfetta, Fábio Alberto

2015-07-01

Hepatitis C virus (HCV) infection is a disease that affects approximately 3% of the global population and requires new therapeutic agents without the inconvenience associated with current anti-HCV treatment. This paper reports on a study of a virtual screening and a molecular dynamics simulation of compounds derived from natural products from the Amazon region that are potentially effective against the NS3-4A enzyme of HCV, which plays an important role in the replication process of this virus. According to the results of the molecular docking calculations and subsequent consensual analysis, the best scored compounds showed interactions between hydrogen and residues of the catalytic triad as well as interactions with residues that guide ligands to the active site of the enzyme. They also showed stability in the molecular dynamics simulation, as the structures preserved important interactions at the active site of the enzyme. The root mean square deviation (RMSD) values were stabilized at the end of the simulation time. Such compounds are considered promising as novel therapies against HCV.

Geochemical behaviour of palladium in soils and Pd/PdO model substances in the presence of the organic complexing agents L-methionine and citric acid.

PubMed

Zereini, Fathi; Wiseman, Clare L S; Vang, My; Albers, Peter; Schneider, Wolfgang; Schindl, Roland; Leopold, Kerstin

2016-01-01

Risk assessments of platinum group metal (PGE) emissions, notably those of platinum (Pt), palladium (Pd) and rhodium (Rh), have been mostly based on data regarding the metallic forms used in vehicular exhaust converters, known to be virtually biologically inert and immobile. To adequately assess the potential impacts of PGE, however, data on the chemical behaviour of these metals under ambient conditions post-emission is needed. Complexing agents with a high affinity for metals in the environment are hypothesized to contribute to an increased bioaccessibility of PGE. The purpose of this study is to examine the modulating effects of the organic complexing agents, L-methionine and citric acid, on the geochemical behavior of Pd in soils and model substances (Pd black and PdO). Batch experimental tests were conducted with soils and model substances to examine the impacts of the concentration of complexing agents, pH and length of extraction period on Pd solubility and its chemical transformation. Particle surface chemistry was examined using X-ray photoelectron spectroscopy (XPS) on samples treated with solutions under various conditions, including low and high O2 levels. Pd was observed to be more soluble in the presence of organic complexing agents, compared to Pt and Rh. Pd in soils was more readily solubilized with organic complexing agents compared to the model substances. After 7 days of extraction, L-methionine (0.1 M) treated soil and Pd black samples, for instance, had mean soluble Pd fractions of 12.4 ± 5.9% and 0.554 ± 0.024%, respectively. Surface chemistry analyses (XPS) confirmed the oxidation of metallic Pd surfaces when treated with organic complexing agents. The type of organic complexing agent used for experimental purposes was observed to be the most important factor influencing solubility, followed by solution pH and time of extraction. The results demonstrate that metallic Pd can be transformed into more bioaccessible species in the presence of organic complexing agents which are ubiquitous in the environment.

Lanthanide oxide and phosphate nanoparticles for thermometry and bimodal imaging =

NASA Astrophysics Data System (ADS)

Debasu, Mengistie Leweyehu

Nesta tese relatam-se estudos de fotoluminescencia de nanoparticulas de oxidos e fosfatos dopados com ioes trivalentes de lantanideos, respectivamente, nanobastonetes de (Gd,Eu)2O3 e (Gd,Yb,Er)2O3 e nanocristais de (Gd,Yb,Tb)PO4, demonstrando-se tambem aplicacoes destes materiais em revestimentos inteligentes, sensores de temperatura e bioimagem. Estuda-se a transferencia de energia entre os sitios de Eu3+ C2 e S6 dos nanobastonetes Gd2O3. A contribuicao dos mecanismos de transferencia de energia entre sitios para o tempo de subida 5D0(C2) e descartada a favor da relaxacao directa 5D1(C2) 5D0(C2) (i.e., transferencia de energia entre niveis). O maior tempo de decaimento do nivel 5D0(C2) nos nanobastonetes, relativamente ao valor medido para o mesmo material na forma de microcristais, e atribuido, quer a existencia de espacos livres entre nanobastonetes proximos (factor de enchimento ou fraccao volumica), quer a variacao do indice de refraccao efectivo do meio em torno dos ioes Eu3+. A dispersao de nanobastonetes de (Gd,Eu)2O3 em tres resinas epoxi comerciais atraves da cura por UV permite obter nanocompositos epoxi- (Gd,Eu)2O3. Relatam-se estudos cineticos e das propriedades termicas e de fotoluminescencia destes nanocompositos. Estes, preservam as tipicas propriedades de emissao do Eu3+, mostrando o potencial do metodo de cura por UV para obter revistimentos inteligentes e fotoactivos. Considera-se um avanco significativo a realizacao de uma nanoplataforma optica, incorporando aquecedor e termometro e capaz de medir uma ampla gama de temperaturas (300-2000 K) a escala nano, baseada em nanobastonetes de (Gd,Yb,Er)2O3 (termometros) cuja superficie se encontra revestida com nanoparticulas de ouro. A temperature local e calculada usando, quer a distribuicao de Boltzmann (300-1050 K) do racio de intensidades da conversao ascendente 2H11=2!4I15=2/4S3=2!4I15=2, quer a lei de Planck (1200-2000 K) para uma emissao de luz branca atribuida a radiacao do corpo negro. Finalmente, estudam-se as propriedades de fotoluminescencia correspondentes as conversoes ascendente e descendente de energia em nanocristais de (Gd,Yb,Tb)PO4 sintetizados por via hidrotermica. A relaxividade (ressonancia magnetica) do 1H destes materiais sao investigadas, tendo em vista possiveis aplicacoes em imagem bimodal (luminescencia e ressonancia magnetica nuclear).

Basic emotions and adaptation. A computational and evolutionary model.

PubMed

Pacella, Daniela; Ponticorvo, Michela; Gigliotta, Onofrio; Miglino, Orazio

2017-01-01

The core principles of the evolutionary theories of emotions declare that affective states represent crucial drives for action selection in the environment and regulated the behavior and adaptation of natural agents in ancestrally recurrent situations. While many different studies used autonomous artificial agents to simulate emotional responses and the way these patterns can affect decision-making, few are the approaches that tried to analyze the evolutionary emergence of affective behaviors directly from the specific adaptive problems posed by the ancestral environment. A model of the evolution of affective behaviors is presented using simulated artificial agents equipped with neural networks and physically inspired on the architecture of the iCub humanoid robot. We use genetic algorithms to train populations of virtual robots across generations, and investigate the spontaneous emergence of basic emotional behaviors in different experimental conditions. In particular, we focus on studying the emotion of fear, therefore the environment explored by the artificial agents can contain stimuli that are safe or dangerous to pick. The simulated task is based on classical conditioning and the agents are asked to learn a strategy to recognize whether the environment is safe or represents a threat to their lives and select the correct action to perform in absence of any visual cues. The simulated agents have special input units in their neural structure whose activation keep track of their actual "sensations" based on the outcome of past behavior. We train five different neural network architectures and then test the best ranked individuals comparing their performances and analyzing the unit activations in each individual's life cycle. We show that the agents, regardless of the presence of recurrent connections, spontaneously evolved the ability to cope with potentially dangerous environment by collecting information about the environment and then switching their behavior to a genetically selected pattern in order to maximize the possible reward. We also prove the determinant presence of an internal time perception unit for the robots to achieve the highest performance and survivability across all conditions.

A calibrated agent-based computer model of stochastic cell dynamics in normal human colon crypts useful for in silico experiments.

PubMed

Bravo, Rafael; Axelrod, David E

2013-11-18

Normal colon crypts consist of stem cells, proliferating cells, and differentiated cells. Abnormal rates of proliferation and differentiation can initiate colon cancer. We have measured the variation in the number of each of these cell types in multiple crypts in normal human biopsy specimens. This has provided the opportunity to produce a calibrated computational model that simulates cell dynamics in normal human crypts, and by changing model parameter values, to simulate the initiation and treatment of colon cancer. An agent-based model of stochastic cell dynamics in human colon crypts was developed in the multi-platform open-source application NetLogo. It was assumed that each cell's probability of proliferation and probability of death is determined by its position in two gradients along the crypt axis, a divide gradient and in a die gradient. A cell's type is not intrinsic, but rather is determined by its position in the divide gradient. Cell types are dynamic, plastic, and inter-convertible. Parameter values were determined for the shape of each of the gradients, and for a cell's response to the gradients. This was done by parameter sweeps that indicated the values that reproduced the measured number and variation of each cell type, and produced quasi-stationary stochastic dynamics. The behavior of the model was verified by its ability to reproduce the experimentally observed monocolonal conversion by neutral drift, the formation of adenomas resulting from mutations either at the top or bottom of the crypt, and by the robust ability of crypts to recover from perturbation by cytotoxic agents. One use of the virtual crypt model was demonstrated by evaluating different cancer chemotherapy and radiation scheduling protocols. A virtual crypt has been developed that simulates the quasi-stationary stochastic cell dynamics of normal human colon crypts. It is unique in that it has been calibrated with measurements of human biopsy specimens, and it can simulate the variation of cell types in addition to the average number of each cell type. The utility of the model was demonstrated with in silico experiments that evaluated cancer therapy protocols. The model is available for others to conduct additional experiments.

The Use of Virtual Characters to Assess and Train Non-Verbal Communication in High-Functioning Autism

PubMed Central

Georgescu, Alexandra Livia; Kuzmanovic, Bojana; Roth, Daniel; Bente, Gary; Vogeley, Kai

2014-01-01

High-functioning autism (HFA) is a neurodevelopmental disorder, which is characterized by life-long socio-communicative impairments on the one hand and preserved verbal and general learning and memory abilities on the other. One of the areas where particular difficulties are observable is the understanding of non-verbal communication cues. Thus, investigating the underlying psychological processes and neural mechanisms of non-verbal communication in HFA allows a better understanding of this disorder, and potentially enables the development of more efficient forms of psychotherapy and trainings. However, the research on non-verbal information processing in HFA faces several methodological challenges. The use of virtual characters (VCs) helps to overcome such challenges by enabling an ecologically valid experience of social presence, and by providing an experimental platform that can be systematically and fully controlled. To make this field of research accessible to a broader audience, we elaborate in the first part of the review the validity of using VCs in non-verbal behavior research on HFA, and we review current relevant paradigms and findings from social-cognitive neuroscience. In the second part, we argue for the use of VCs as either agents or avatars in the context of “transformed social interactions.” This allows for the implementation of real-time social interaction in virtual experimental settings, which represents a more sensitive measure of socio-communicative impairments in HFA. Finally, we argue that VCs and environments are a valuable assistive, educational and therapeutic tool for HFA. PMID:25360098

Global structure–activity relationship model for nonmutagenic carcinogens using virtual ligand-protein interactions as model descriptors

PubMed Central

Cunningham, Albert R.; Trent, John O.

2012-01-01

Structure–activity relationship (SAR) models are powerful tools to investigate the mechanisms of action of chemical carcinogens and to predict the potential carcinogenicity of untested compounds. We describe the use of a traditional fragment-based SAR approach along with a new virtual ligand-protein interaction-based approach for modeling of nonmutagenic carcinogens. The ligand-based SAR models used descriptors derived from computationally calculated ligand-binding affinities for learning set agents to 5495 proteins. Two learning sets were developed. One set was from the Carcinogenic Potency Database, where chemicals tested for rat carcinogenesis along with Salmonella mutagenicity data were provided. The second was from Malacarne et al. who developed a learning set of nonalerting compounds based on rodent cancer bioassay data and Ashby’s structural alerts. When the rat cancer models were categorized based on mutagenicity, the traditional fragment model outperformed the ligand-based model. However, when the learning sets were composed solely of nonmutagenic or nonalerting carcinogens and noncarcinogens, the fragment model demonstrated a concordance of near 50%, whereas the ligand-based models demonstrated a concordance of 71% for nonmutagenic carcinogens and 74% for nonalerting carcinogens. Overall, these findings suggest that expert system analysis of virtual chemical protein interactions may be useful for developing predictive SAR models for nonmutagenic carcinogens. Moreover, a more practical approach for developing SAR models for carcinogenesis may include fragment-based models for chemicals testing positive for mutagenicity and ligand-based models for chemicals devoid of DNA reactivity. PMID:22678118

Global structure-activity relationship model for nonmutagenic carcinogens using virtual ligand-protein interactions as model descriptors.

PubMed

Cunningham, Albert R; Carrasquer, C Alex; Qamar, Shahid; Maguire, Jon M; Cunningham, Suzanne L; Trent, John O

2012-10-01

Structure-activity relationship (SAR) models are powerful tools to investigate the mechanisms of action of chemical carcinogens and to predict the potential carcinogenicity of untested compounds. We describe the use of a traditional fragment-based SAR approach along with a new virtual ligand-protein interaction-based approach for modeling of nonmutagenic carcinogens. The ligand-based SAR models used descriptors derived from computationally calculated ligand-binding affinities for learning set agents to 5495 proteins. Two learning sets were developed. One set was from the Carcinogenic Potency Database, where chemicals tested for rat carcinogenesis along with Salmonella mutagenicity data were provided. The second was from Malacarne et al. who developed a learning set of nonalerting compounds based on rodent cancer bioassay data and Ashby's structural alerts. When the rat cancer models were categorized based on mutagenicity, the traditional fragment model outperformed the ligand-based model. However, when the learning sets were composed solely of nonmutagenic or nonalerting carcinogens and noncarcinogens, the fragment model demonstrated a concordance of near 50%, whereas the ligand-based models demonstrated a concordance of 71% for nonmutagenic carcinogens and 74% for nonalerting carcinogens. Overall, these findings suggest that expert system analysis of virtual chemical protein interactions may be useful for developing predictive SAR models for nonmutagenic carcinogens. Moreover, a more practical approach for developing SAR models for carcinogenesis may include fragment-based models for chemicals testing positive for mutagenicity and ligand-based models for chemicals devoid of DNA reactivity.

The use of virtual characters to assess and train non-verbal communication in high-functioning autism.

PubMed

Georgescu, Alexandra Livia; Kuzmanovic, Bojana; Roth, Daniel; Bente, Gary; Vogeley, Kai

2014-01-01

High-functioning autism (HFA) is a neurodevelopmental disorder, which is characterized by life-long socio-communicative impairments on the one hand and preserved verbal and general learning and memory abilities on the other. One of the areas where particular difficulties are observable is the understanding of non-verbal communication cues. Thus, investigating the underlying psychological processes and neural mechanisms of non-verbal communication in HFA allows a better understanding of this disorder, and potentially enables the development of more efficient forms of psychotherapy and trainings. However, the research on non-verbal information processing in HFA faces several methodological challenges. The use of virtual characters (VCs) helps to overcome such challenges by enabling an ecologically valid experience of social presence, and by providing an experimental platform that can be systematically and fully controlled. To make this field of research accessible to a broader audience, we elaborate in the first part of the review the validity of using VCs in non-verbal behavior research on HFA, and we review current relevant paradigms and findings from social-cognitive neuroscience. In the second part, we argue for the use of VCs as either agents or avatars in the context of "transformed social interactions." This allows for the implementation of real-time social interaction in virtual experimental settings, which represents a more sensitive measure of socio-communicative impairments in HFA. Finally, we argue that VCs and environments are a valuable assistive, educational and therapeutic tool for HFA.

Identification of sumoylation activating enzyme 1 inhibitors by structure-based virtual screening.

PubMed

Kumar, Ashutosh; Ito, Akihiro; Hirohama, Mikako; Yoshida, Minoru; Zhang, Kam Y J

2013-04-22

SUMO activating enzyme 1 (SUMO E1) is responsible for the activation of SUMO in the first step of the sumoylation cascade. SUMO E1 is linked to many human diseases including cancer, thus making it a potential therapeutic target. There are few reported SUMO E1 inhibitors including several natural products. To identify small molecule inhibitors of SUMO E1 with better drug-like properties for potential therapeutic studies, we have used structure-based virtual screening to identify hits from the Maybridge small molecule library for biological assay. Our virtual screening protocol involves fast docking of the entire small molecule library with rigid protein and ligands followed by redocking of top hits using a method that incorporates both ligand and protein flexibility. Subsequently, the top-ranking compounds were prioritized using the molecular dynamics simulation-based binding free energy calculation. Out of 24 compounds that were acquired and tested using in vitro sumoylation assay, four of them showed more than 85% inhibition of sumoylation with the most active compound showing an IC50 of 14.4 μM. A similarity search with the most active compound in the ZINC database has identified three more compounds with improved potency. These compounds share a common phenyl urea scaffold and have been confirmed to inhibit SUMO E1 by in vitro SUMO-1 thioester bond formation assay. Our study suggests that these phenyl urea compounds could be used as a starting point for the development of novel therapeutic agents.

Salient Feature of Haptic-Based Guidance of People in Low Visibility Environments Using Hard Reins.

PubMed

Ranasinghe, Anuradha; Sornkarn, Nantachai; Dasgupta, Prokar; Althoefer, Kaspar; Penders, Jacques; Nanayakkara, Thrishantha

2016-02-01

This paper presents salient features of human-human interaction where one person with limited auditory and visual perception of the environment (a follower) is guided by an agent with full perceptual capabilities (a guider) via a hard rein along a given path. We investigate several salient features of the interaction between the guider and follower such as: 1) the order of an autoregressive (AR) control policy that maps states of the follower to actions of the guider; 2) how the guider may modulate the pulling force in response to the trust level of the follower; and 3) how learning may successively apportion the responsibility of control across different muscles of the guider. Based on experimental systems identification on human demonstrations from ten pairs of naive subjects, we show that guiders tend to adopt a third-order AR predictive control policy and followers tend to adopt second-order reactive control policy. Moreover, the extracted guider's control policy was implemented and validated by human-robot interaction experiments. By modeling the follower's dynamics with a time varying virtual damped inertial system, we found that it is the coefficient of virtual damping which is most sensitive to the trust level of the follower. We used these experimental insights to derive a novel controller that integrates an optimal order control policy with a push/pull force modulator in response to the trust level of the follower monitored using a time varying virtual damped inertial model.

Detecting Distributed SQL Injection Attacks in a Eucalyptus Cloud Environment

NASA Technical Reports Server (NTRS)

Kebert, Alan; Barnejee, Bikramjit; Solano, Juan; Solano, Wanda

2013-01-01

The cloud computing environment offers malicious users the ability to spawn multiple instances of cloud nodes that are similar to virtual machines, except that they can have separate external IP addresses. In this paper we demonstrate how this ability can be exploited by an attacker to distribute his/her attack, in particular SQL injection attacks, in such a way that an intrusion detection system (IDS) could fail to identify this attack. To demonstrate this, we set up a small private cloud, established a vulnerable website in one instance, and placed an IDS within the cloud to monitor the network traffic. We found that an attacker could quite easily defeat the IDS by periodically altering its IP address. To detect such an attacker, we propose to use multi-agent plan recognition, where the multiple source IPs are considered as different agents who are mounting a collaborative attack. We show that such a formulation of this problem yields a more sophisticated approach to detecting SQL injection attacks within a cloud computing environment.

Output Feedback Distributed Containment Control for High-Order Nonlinear Multiagent Systems.

PubMed

Li, Yafeng; Hua, Changchun; Wu, Shuangshuang; Guan, Xinping

2017-01-31

In this paper, we study the problem of output feedback distributed containment control for a class of high-order nonlinear multiagent systems under a fixed undirected graph and a fixed directed graph, respectively. Only the output signals of the systems can be measured. The novel reduced order dynamic gain observer is constructed to estimate the unmeasured state variables of the system with the less conservative condition on nonlinear terms than traditional Lipschitz one. Via the backstepping method, output feedback distributed nonlinear controllers for the followers are designed. By means of the novel first virtual controllers, we separate the estimated state variables of different agents from each other. Consequently, the designed controllers show independence on the estimated state variables of neighbors except outputs information, and the dynamics of each agent can be greatly different, which make the design method have a wider class of applications. Finally, a numerical simulation is presented to illustrate the effectiveness of the proposed method.

Rapid method for the quantification of hydroquinone concentration: chemiluminescent analysis.

PubMed

Chen, Tung-Sheng; Liou, Show-Yih; Kuo, Wei-Wen; Wu, Hsi-Chin; Jong, Gwo-Ping; Wang, Hsueh-Fang; Shen, Chia-Yao; Padma, V Vijaya; Huang, Chih-Yang; Chang, Yen-Lin

2015-11-01

Topical hydroquinone serves as a skin whitener and is usually available in cosmetics or on prescription based on the hydroquinone concentration. Quantification of hydroquinone content therefore becomes an important issue in topical agents. High-performance liquid chromatography (HPLC) is the commonest method for determining hydroquinone content in topical agents, but this method is time-consuming and uses many solvents that can become an environmental issue. We report a rapid method for quantifying hydroquinone content by chemiluminescent analysis. Hydroquinone induces the production of hydrogen peroxide in the presence of basic compounds. Hydrogen peroxide induced by hydroquinone oxidized light-emitting materials such as lucigenin, resulted in the production of ultra-weak chemiluminescence that was detected by a chemiluminescence analyzer. The intensity of the chemiluminescence was found to be proportional to the hydroquinone concentration. We suggest that the rapid (measurement time, 60 s) and virtually solvent-free (solvent volume, <2 mL) chemiluminescent method described here for quantifying hydroquinone content may be an alternative to HPLC analysis. Copyright © 2015 John Wiley & Sons, Ltd.

Process and data fragmentation-oriented enterprise network integration with collaboration modelling and collaboration agents

NASA Astrophysics Data System (ADS)

Li, Qing; Wang, Ze-yuan; Cao, Zhi-chao; Du, Rui-yang; Luo, Hao

2015-08-01

With the process of globalisation and the development of management models and information technology, enterprise cooperation and collaboration has developed from intra-enterprise integration, outsourcing and inter-enterprise integration, and supply chain management, to virtual enterprises and enterprise networks. Some midfielder enterprises begin to serve for different supply chains. Therefore, they combine related supply chains into a complex enterprise network. The main challenges for enterprise network's integration and collaboration are business process and data fragmentation beyond organisational boundaries. This paper reviews the requirements of enterprise network's integration and collaboration, as well as the development of new information technologies. Based on service-oriented architecture (SOA), collaboration modelling and collaboration agents are introduced to solve problems of collaborative management for service convergence under the condition of process and data fragmentation. A model-driven methodology is developed to design and deploy the integrating framework. An industrial experiment is designed and implemented to illustrate the usage of developed technologies in this paper.

Nanoparticles in Higher-Order Multimodal Imaging

NASA Astrophysics Data System (ADS)

Rieffel, James Ki

Imaging procedures are a cornerstone in our current medical infrastructure. In everything from screening, diagnostics, and treatment, medical imaging is perhaps our greatest tool in evaluating individual health. Recently, there has been tremendous increase in the development of multimodal systems that combine the strengths of complimentary imaging technologies to overcome their independent weaknesses. Clinically, this has manifested in the virtually universal manufacture of combined PET-CT scanners. With this push toward more integrated imaging, new contrast agents with multimodal functionality are needed. Nanoparticle-based systems are ideal candidates based on their unique size, properties, and diversity. In chapter 1, an extensive background on recent multimodal imaging agents capable of enhancing signal or contrast in three or more modalities is presented. Chapter 2 discusses the development and characterization of a nanoparticulate probe with hexamodal imaging functionality. It is my hope that the information contained in this thesis will demonstrate the many benefits of nanoparticles in multimodal imaging, and provide insight into the potential of fully integrated imaging.

Preservation of samples for dissolved mercury

USGS Publications Warehouse

Hamlin, S.N.

1989-01-01

Water samples for dissolved mercury requires special treatment because of the high chemical mobility and volatility of this element. Widespread use of mercury and its compounds has provided many avenues for contamination of water. Two laboratory tests were done to determine the relative permeabilities of glass and plastic sample bottles to mercury vapor. Plastic containers were confirmed to be quite permeable to airborne mercury, glass containers were virtually impermeable. Methods of preservation include the use of various combinations of acids, oxidants, and complexing agents. The combination of nitric acid and potassium dichromate successfully preserved mercury in a large variety of concentrations and dissolved forms. Because this acid-oxidant preservative acts as a sink for airborne mercury and plastic containers are permeable to mercury vapor, glass bottles are preferred for sample collection. To maintain a healthy work environment and minimize the potential for contamination of water samples, mercury and its compounds are isolated from the atmosphere while in storage. Concurrently, a program to monitor environmental levels of mercury vapor in areas of potential contamination is needed to define the extent of mercury contamination and to assess the effectiveness of mercury clean-up procedures.Water samples for dissolved mercury require special treatment because of the high chemical mobility and volatility of this element. Widespread use of mercury and its compounds has provided many avenues for contamination of water. Two laboratory tests were done to determine the relative permeabilities of glass and plastic sample bottles to mercury vapor. Plastic containers were confirmed to be quite permeable to airborne mercury, glass containers were virtually impermeable. Methods of preservation include the use of various combinations of acids, oxidants, and complexing agents. The combination of nitric acid and potassium dichromate successfully preserved mercury in a large variety of concentrations and dissolved forms.

Quest for Efficacious Next-Generation Taxoid Anticancer Agents and Their Tumor-Targeted Delivery

PubMed Central

2018-01-01

Paclitaxel and docetaxel are among the most widely used chemotherapeutic drugs against various types of cancer. However, these drugs cause undesirable side effects as well as drug resistance. Therefore, it is essential to develop next-generation taxoid anticancer agents with better pharmacological properties and improved activity especially against drug-resistant and metastatic cancers. The SAR studies by the authors have led to the development of numerous highly potent novel second- and third-generation taxoids with systematic modifications at the C-2, C-10, and C-3′ positions. The third-generation taxoids showed virtually no difference in potency against drug-resistant and drug-sensitive cell lines. Some of the next-generation taxoids also exhibited excellent potency against cancer stem cells. This account summarizes concisely investigations into taxoids over 25 years based on a strong quest for the discovery and development of efficacious next-generation taxoids. Discussed herein are SAR studies on different types of taxoids, a common pharmacophore proposal for microtubule-stabilizing anticancer agents and its interesting history, the identification of the paclitaxel binding site and its bioactive conformation, characteristics of the next-generation taxoids in cancer cell biology, including new aspects of their mechanism of action, and the highly efficacious tumor-targeted drug delivery of potent next-generation taxoids. PMID:29468872

Modeling contrast agent flow in cerebral aneurysms: comparison of CFD with medical imaging

NASA Astrophysics Data System (ADS)

Rayz, Vitaliy; Vali, Alireza; Sigovan, Monica; Lawton, Michael; Saloner, David; Boussel, Loic

2016-11-01

PURPOSE: The flow in cerebral aneurysms is routinely assessed with X-ray angiography, an imaging technique based on a contrast agent injection. In addition to requiring a patient's catheterization and radiation exposure, the X-ray angiography may inaccurately estimate the flow residence time, as the injection alters the native blood flow patterns. Numerical modeling of the contrast transport based on MRI imaging, provides a non-invasive alternative for the flow diagnostics. METHODS: The flow in 3 cerebral aneurysms was measured in vivo with 4D PC-MRI, which provides time-resolved, 3D velocity field. The measured velocities were used to simulate a contrast agent transport by solving the advection-diffusion equation. In addition, the flow in the same patient-specific geometries was simulated with CFD and the velocities obtained from the Navier-Stokes solution were used to model the transport of a virtual contrast. RESULTS: Contrast filling and washout patterns obtained in simulations based on MRI-measured velocities were in agreement with those obtained using the Navier-Stokes solution. Some discrepancies were observed in comparison to the X-ray angiography data, as numerical modeling of the contrast transport is based on the native blood flow unaffected by the contrast injection. NIH HL115267.

Investigating the feasibility of a BCI-driven robot-based writing agent for handicapped individuals

NASA Astrophysics Data System (ADS)

Syan, Chanan S.; Harnarinesingh, Randy E. S.; Beharry, Rishi

2014-07-01

Brain-Computer Interfaces (BCIs) predominantly employ output actuators such as virtual keyboards and wheelchair controllers to enable handicapped individuals to interact and communicate with their environment. However, BCI-based assistive technologies are limited in their application. There is minimal research geared towards granting disabled individuals the ability to communicate using written words. This is a drawback because involving a human attendant in writing tasks can entail a breach of personal privacy where the task entails sensitive and private information such as banking matters. BCI-driven robot-based writing however can provide a safeguard for user privacy where it is required. This study investigated the feasibility of a BCI-driven writing agent using the 3 degree-of- freedom Phantom Omnibot. A full alphanumerical English character set was developed and validated using a teach pendant program in MATLAB. The Omnibot was subsequently interfaced to a P300-based BCI. Three subjects utilised the BCI in the online context to communicate words to the writing robot over a Local Area Network (LAN). The average online letter-wise classification accuracy was 91.43%. The writing agent legibly constructed the communicated letters with minor errors in trajectory execution. The developed system therefore provided a feasible platform for BCI-based writing.

Beliefs about human agency influence the neural processing of gaze during joint attention.

PubMed

Caruana, Nathan; de Lissa, Peter; McArthur, Genevieve

2017-04-01

The current study measured adults' P350 and N170 ERPs while they interacted with a character in a virtual reality paradigm. Some participants believed the character was controlled by a human ("avatar" condition, n = 19); others believed it was controlled by a computer program ("agent" condition, n = 19). In each trial, participants initiated joint attention in order to direct the character's gaze toward a target. In 50% of trials, the character gazed toward the target (congruent responses), and in 50% of trials the character gazed to a different location (incongruent response). In the avatar condition, the character's incongruent gaze responses generated significantly larger P350 peaks at centro-parietal sites than congruent gaze responses. In the agent condition, the P350 effect was strikingly absent. Left occipitotemporal N170 responses were significantly smaller in the agent condition compared to the avatar condition for both congruent and incongruent gaze shifts. These data suggest that beliefs about human agency may recruit mechanisms that discriminate the social outcome of a gaze shift after approximately 350 ms, and that these mechanisms may modulate the early perceptual processing of gaze. These findings also suggest that the ecologically valid measurement of social cognition may depend upon paradigms that simulate genuine social interactions.

Hydrodynamics and mass transfer deaeration of water on thermal power plants when used natural gas as a desorbing agent

NASA Astrophysics Data System (ADS)

Sharapov, V. I.; Kudryavtseva, E. V.

2017-11-01

The technology of low-temperature deaeration of water in thermal power plants was developed. It is proposed to use natural gas supplied to the furnace as desorbing agent in the deaerator instead steam or superheated water. Natural gas has low, often - negative temperature after reducing installs. At the same time, it contains virtually no corrosive gases, oxygen and carbon dioxide, thereby successfully may be used as a stripping agent in water deaeration. The calculation of the energy efficiency of the technology for a typical unit of CHP has shown that achieved a significant annual saving of fuel equivalent in the transition from the traditional method of deaeration of water in the low temperature deaeration. Hydrodynamic and mass transfer indicators were determined for the deaerator thermal power plants using as stripping medium natural gas supplied to the boiler burners. Theoretically required amount and the real specific consumption of natural gas were estimated for deaeration of water standard quality. The calculation of the hydrodynamic characteristics was presented for jet-bubbling atmospheric deaerator with undescended perforated plate when operating on natural gas. The calculation shows the possibility of using commercially available atmospheric deaerators for the application of the new low-temperature water deaeration technology.

Effect of desensitizing agents on dentin permeability.

PubMed

Ishihata, Hiroshi; Kanehira, Masafumi; Nagai, Tomoko; Finger, Werner J; Shimauchi, Hidetoshi; Komatsu, Masashi

2009-06-01

To investigate the in vitro efficacy of two dentin desensitizing products at reducing liquid permeability through human dentin discs. The tested hypothesis was that the products, in spite of different chemical mechanisms were not different at reducing or eliminating flow through dentin discs. Dentin slices (1 mm thick) were prepared from 16 extracted human third molars and their permeability was indirectly recorded in a split chamber model, using a chemiluminescence technique, after EDTA treatment (control), after soaking with albumin, and after desensitizer application. Two products were studied: MS Coat, a self-curing resin-containing oxalate product, and Gluma Desensitizer, a glutaraldehyde/HEMA-based agent without initiator. The dentin slices were mounted between an upper chamber, filled with an aqueous solution of 1% potassium ferricyanide and 0.3% hydrogen peroxide, and a lower chamber filled with 1% sodium hydroxide solution and 0.02% luminol. The upper solution was pressurized, and upon contact with the luminol solution a photochemical signal was generated and recorded as a measure of permeability throughout two consecutive pressurizing cycles at 2.5 and 13 kPa (26 and 133 cm H2O), respectively. The permeability of the control and albumin-soaked samples was similarly high. After application of the desensitizing agents, dentin permeability was reduced to virtually zero at both pressure levels (P < 0.001).

Measured and perceived effects of computerized scientist mentors on student learning and motivation in science

NASA Astrophysics Data System (ADS)

Bowman, Catherine Dodds Dunham

Unease about declining U.S. science literacy and inquiry skills drives much innovation in science education, including the quest for authentic science experiences for students. One response is student-scientist partnerships (SSP), involving small numbers of students in scientific investigations with scientist mentors. Alternatively, science inquiry programs provide large numbers of students with opportunities to pursue their own investigations but without extensive access to experts, potentially limiting the possible cognitive and affective gains. This mixed methods study investigates whether it is possible to replicate some of SSPs' benefits on a larger scale through use of a computerized agent designed as a "virtual" scientist mentor. Middle school students (N=532) were randomly assigned to two versions of an agent (or to a control group) providing either content-only or content and interpersonal mentoring while they participated in a three-week curriculum. Results indicate that, on average, students gained in content knowledge but there was no statistically significant difference between the three conditions. In terms of motivation, students exhibited no change, on average, with no statistically significant difference between the three conditions. These data indicate that the treatment conditions neither facilitate nor inhibit student learning and motivation. Interviews with a subsample (n=70), however, suggest that students believe the agents facilitated their learning, eased the workload, provided a trusted source of information, and were enjoyable to use. Teachers reported that the agents provided alternative views of scientists and science, generated class discussion, and met the needs of high and low-achieving students. This difference between measured and perceived benefits may result from measures that were not sufficiently sensitive to capture differences. Alternatively, a more sophisticated agent might better replicate mentoring functions known to produce cognitive and affective gains. Even without established learning or motivational gains, practitioners may want to employ agents for their ability to provide reliable information, expanded perspectives on science and scientists, and a non-intimidating setting for students to ask questions. For computerized agent researchers, this study provides a first step in exploring the affordances and challenges of sustained use of agents in real school settings with the goal of improving science education.

On-lattice agent-based simulation of populations of cells within the open-source Chaste framework.

PubMed

Figueredo, Grazziela P; Joshi, Tanvi V; Osborne, James M; Byrne, Helen M; Owen, Markus R

2013-04-06

Over the years, agent-based models have been developed that combine cell division and reinforced random walks of cells on a regular lattice, reaction-diffusion equations for nutrients and growth factors; and ordinary differential equations for the subcellular networks regulating the cell cycle. When linked to a vascular layer, this multiple scale model framework has been applied to tumour growth and therapy. Here, we report on the creation of an agent-based multi-scale environment amalgamating the characteristics of these models within a Virtual Physiological Human (VPH) Exemplar Project. This project enables reuse, integration, expansion and sharing of the model and relevant data. The agent-based and reaction-diffusion parts of the multi-scale model have been implemented and are available for download as part of the latest public release of Chaste (Cancer, Heart and Soft Tissue Environment; http://www.cs.ox.ac.uk/chaste/), part of the VPH Toolkit (http://toolkit.vph-noe.eu/). The environment functionalities are verified against the original models, in addition to extra validation of all aspects of the code. In this work, we present the details of the implementation of the agent-based environment, including the system description, the conceptual model, the development of the simulation model and the processes of verification and validation of the simulation results. We explore the potential use of the environment by presenting exemplar applications of the 'what if' scenarios that can easily be studied in the environment. These examples relate to tumour growth, cellular competition for resources and tumour responses to hypoxia (low oxygen levels). We conclude our work by summarizing the future steps for the expansion of the current system.

Synthetic consciousness: the distributed adaptive control perspective

PubMed Central

2016-01-01

Understanding the nature of consciousness is one of the grand outstanding scientific challenges. The fundamental methodological problem is how phenomenal first person experience can be accounted for in a third person verifiable form, while the conceptual challenge is to both define its function and physical realization. The distributed adaptive control theory of consciousness (DACtoc) proposes answers to these three challenges. The methodological challenge is answered relative to the hard problem and DACtoc proposes that it can be addressed using a convergent synthetic methodology using the analysis of synthetic biologically grounded agents, or quale parsing. DACtoc hypothesizes that consciousness in both its primary and secondary forms serves the ability to deal with the hidden states of the world and emerged during the Cambrian period, affording stable multi-agent environments to emerge. The process of consciousness is an autonomous virtualization memory, which serializes and unifies the parallel and subconscious simulations of the hidden states of the world that are largely due to other agents and the self with the objective to extract norms. These norms are in turn projected as value onto the parallel simulation and control systems that are driving action. This functional hypothesis is mapped onto the brainstem, midbrain and the thalamo-cortical and cortico-cortical systems and analysed with respect to our understanding of deficits of consciousness. Subsequently, some of the implications and predictions of DACtoc are outlined, in particular, the prediction that normative bootstrapping of conscious agents is predicated on an intentionality prior. In the view advanced here, human consciousness constitutes the ultimate evolutionary transition by allowing agents to become autonomous with respect to their evolutionary priors leading to a post-biological Anthropocene. This article is part of the themed issue ‘The major synthetic evolutionary transitions’. PMID:27431526

Synthetic consciousness: the distributed adaptive control perspective.

PubMed

Verschure, Paul F M J

2016-08-19

Understanding the nature of consciousness is one of the grand outstanding scientific challenges. The fundamental methodological problem is how phenomenal first person experience can be accounted for in a third person verifiable form, while the conceptual challenge is to both define its function and physical realization. The distributed adaptive control theory of consciousness (DACtoc) proposes answers to these three challenges. The methodological challenge is answered relative to the hard problem and DACtoc proposes that it can be addressed using a convergent synthetic methodology using the analysis of synthetic biologically grounded agents, or quale parsing. DACtoc hypothesizes that consciousness in both its primary and secondary forms serves the ability to deal with the hidden states of the world and emerged during the Cambrian period, affording stable multi-agent environments to emerge. The process of consciousness is an autonomous virtualization memory, which serializes and unifies the parallel and subconscious simulations of the hidden states of the world that are largely due to other agents and the self with the objective to extract norms. These norms are in turn projected as value onto the parallel simulation and control systems that are driving action. This functional hypothesis is mapped onto the brainstem, midbrain and the thalamo-cortical and cortico-cortical systems and analysed with respect to our understanding of deficits of consciousness. Subsequently, some of the implications and predictions of DACtoc are outlined, in particular, the prediction that normative bootstrapping of conscious agents is predicated on an intentionality prior. In the view advanced here, human consciousness constitutes the ultimate evolutionary transition by allowing agents to become autonomous with respect to their evolutionary priors leading to a post-biological Anthropocene.This article is part of the themed issue 'The major synthetic evolutionary transitions'. © 2016 The Author(s).

Reduction of Photo Bleaching and Long Term Archiving of Chemically Cleared GFP-Expressing Mouse Brains

PubMed Central

Becker, Klaus; Hahn, Christian Markus; Saghafi, Saiedeh; Jährling, Nina; Wanis, Martina; Dodt, Hans-Ulrich

2014-01-01

Tissue clearing allows microscopy of large specimens as whole mouse brains or embryos. However, lipophilic tissue clearing agents as dibenzyl ether limit storage time of GFP-expressing samples to several days and do not prevent them from photobleaching during microscopy. To preserve GFP fluorescence, we developed a transparent solid resin formulation, which maintains the specimens' transparency and provides a constant signal to noise ratio even after hours of continuous laser irradiation. If required, high-power illumination or long exposure times can be applied with virtually no loss in signal quality and samples can be archived for years. PMID:25463047

Incidence of bacterial respiratory pathogens and their susceptibility to common antibacterial agents.

PubMed Central

Qadri, S. M.; Lee, G. C.; Ueno, Y.; Burdette, J. M.

1993-01-01

Although most respiratory tract infections are caused by viruses, bacterial pathogens are responsible for higher morbidity and mortality. Because virtually nothing is known about the etiology of bacterial respiratory pathogens in Saudi Arabia, this study examined the incidence of these organisms in 5426 patients over a 1-year period. Of the bacterial pathogens isolated from 904 patients, the most common organism was Hemophilus influenzae (31%), followed by pneumococci (22%), Pseudomonas aeruginosa (16%), and others (31%). Because the first two organisms accounted for more than 50% of isolates, their susceptibility to commonly used antibiotics was also reviewed. The results are presented here. PMID:8496993

Fractional discrete-time consensus models for single- and double-summator dynamics

NASA Astrophysics Data System (ADS)

Wyrwas, Małgorzata; Mozyrska, Dorota; Girejko, Ewa

2018-04-01

The leader-following consensus problem of fractional-order multi-agent discrete-time systems is considered. In the systems, interactions between opinions are defined like in Krause and Cucker-Smale models but the memory is included by taking the fractional-order discrete-time operator on the left-hand side of the nonlinear systems. In this paper, we investigate fractional-order models of opinions for the single- and double-summator dynamics of discrete-time by analytical methods as well as by computer simulations. The necessary and sufficient conditions for the leader-following consensus are formulated by proposing a consensus control law for tracking the virtual leader.

Open Source Service Agent (OSSA) in the intelligence community's Open Source Architecture

NASA Technical Reports Server (NTRS)

Fiene, Bruce F.

1994-01-01

The Community Open Source Program Office (COSPO) has developed an architecture for the intelligence community's new Open Source Information System (OSIS). The architecture is a multi-phased program featuring connectivity, interoperability, and functionality. OSIS is based on a distributed architecture concept. The system is designed to function as a virtual entity. OSIS will be a restricted (non-public), user configured network employing Internet communications. Privacy and authentication will be provided through firewall protection. Connection to OSIS can be made through any server on the Internet or through dial-up modems provided the appropriate firewall authentication system is installed on the client.

The autonomous sciencecraft constellations

NASA Technical Reports Server (NTRS)

Sherwood, R. L.; Chien, S.; Castano, R.; Rabideau, G.

2003-01-01

The Autonomous Sciencecraft Experiment (ASE) will fly onboard the Air Force TechSat 21 constellation of three spacecraft scheduled for launch in 2006. ASE uses onboard continuous planning, robust task and goal-based execution, model-based mode identification and reconfiguration, and onboard machine learning and pattern recognition to radically increase science return by enabling intelligent downlink selection and autonomous retargeting. In this paper we discuss how these AI technologies are synergistically integrated in a hybrid multi-layer control architecture to enable a virtual spacecraft science agent. Demonstration of these capabilities in a flight environment will open up tremendous new opportunities in planetary science, space physics, and earth science that would be unreachable without this technology.

Repeated courses of transarterial embolization with polyvinyl alcohol particles: 'long life elixir' in a cirrhotic patient with unresectable hepatocellular carcinoma.

PubMed

Marelli, Laura; Shusang, Vibhakorn; Senzolo, Marco; Cholongitas, Evangelos; Goode, Antony; Yu, Dominic; Patch, David W; Burroughs, Andrew K

2007-04-01

Chemoembolization improves survival in selected cirrhotic patients with hepatocellular carcinoma, but prolonged survival is unusual. In this study, a 70-year-old cirrhotic patient, who had a histologically proven hepatocellular carcinoma of 5 cm diameter, embolization with polyvinyl alcohol particles alone, without chemotherapeutic agent, has resulted in continued survival, of 5 years to date, with virtual elimination of residual hypervascularity following 10 sessions of embolization, and with continued patency of the injected branch of the hepatic artery. Provided liver function is maintained, embolization alone appears a feasible long term and effective therapy for unresectable hepatocellular carcinoma.

DOE Office of Scientific and Technical Information (OSTI.GOV)

N, Gwilliam M; J, Collins D; O, Leach M

Purpose: To assess the feasibility of accurately quantifying the concentration of MRI contrast agent (CA) in pulsatile flowing blood by measuring its T{sub 1}, as is common for the purposes of obtaining a patientspecific arterial input function (AIF). Dynamic contrast enhanced (DCE) - MRI and pharmacokinetic (PK) modelling is widely used to produce measures of vascular function but accurate measurement of the AIF undermines their accuracy. A proposed solution is to measure the T{sub 1} of blood in a large vessel using the Fram double flip angle method during the passage of a bolus of CA. This work expands onmore » previous work by assessing pulsatile flow and the changes in T{sub 1} seen with a CA bolus. Methods: A phantom was developed which used a physiological pump to pass fluid of a known T{sub 1} (812ms) through the centre of a head coil of a clinical 1.5T MRI scanner. Measurements were made using high temporal resolution sequences suitable for DCE-MRI and were used to validate a virtual phantom that simulated the expected errors due to pulsatile flow and bolus of CA concentration changes typically found in patients. Results: : Measured and virtual results showed similar trends, although there were differences that may be attributed to the virtual phantom not accurately simulating the spin history of the fluid before entering the imaging volume. The relationship between T{sub 1} measurement and flow speed was non-linear. T{sub 1} measurement is compromised by new spins flowing into the imaging volume, not being subject to enough excitations to have reached steady-state. The virtual phantom demonstrated a range of recorded T{sub 1} for various simulated T{sub 1} / flow rates. Conclusion: T{sub 1} measurement of flowing blood using standard DCE-MRI sequences is very challenging. Measurement error is non-linear with relation to instantaneous flow speed. Optimising sequence parameters and lowering baseline T{sub 1} of blood should be considered.« less

Virtual milgram: empathic concern or personal distress? Evidence from functional MRI and dispositional measures.

PubMed

Cheetham, Marcus; Pedroni, Andreas F; Antley, Angus; Slater, Mel; Jäncke, Lutz

2009-01-01

One motive for behaving as the agent of another's aggression appears to be anchored in as yet unelucidated mechanisms of obedience to authority. In a recent partial replication of Milgram's obedience paradigm within an immersive virtual environment, participants administered pain to a female virtual human and observed her suffering. Whether the participants' response to the latter was more akin to other-oriented empathic concern for her well-being or to a self-oriented aversive state of personal distress in response to her distress is unclear. Using the stimuli from that study, this event-related fMRI-based study analysed brain activity during observation of the victim in pain versus not in pain. This contrast revealed activation in pre-defined brain areas known to be involved in affective processing but not in those commonly associated with affect sharing (e.g., ACC and insula). We then examined whether different dimensions of dispositional empathy predict activity within the same pre-defined brain regions: While personal distress and fantasy (i.e., tendency to transpose oneself into fictional situations and characters) predicted brain activity, empathic concern and perspective taking predicted no change in neuronal response associated with pain observation. These exploratory findings suggest that there is a distinct pattern of brain activity associated with observing the pain-related behaviour of the victim within the context of this social dilemma, that this observation evoked a self-oriented aversive state of personal distress, and that the objective "reality" of pain is of secondary importance for this response. These findings provide a starting point for experimentally more rigorous investigation of obedience.

Automatic Optimization of Wayfinding Design.

PubMed

Huang, Haikun; Lin, Ni-Ching; Barrett, Lorenzo; Springer, Darian; Wang, Hsueh-Cheng; Pomplun, Marc; Yu, Lap-Fai

2017-10-10

Wayfinding signs play an important role in guiding users to navigate in a virtual environment and in helping pedestrians to find their ways in a real-world architectural site. Conventionally, the wayfinding design of a virtual environment is created manually, so as the wayfinding design of a real-world architectural site. The many possible navigation scenarios, and the interplay between signs and human navigation, can make the manual design process overwhelming and non-trivial. As a result, creating a wayfinding design for a typical layout can take months to several years. In this paper, we introduce the Way to Go! approach for automatically generating a wayfinding design for a given layout. The designer simply has to specify some navigation scenarios; our approach will automatically generate an optimized wayfinding design with signs properly placed considering human agents' visibility and possibility of making navigation mistakes. We demonstrate the effectiveness of our approach in generating wayfinding designs for different layouts. We evaluate our results by comparing different wayfinding designs and show that our optimized designs can guide pedestrians to their destinations effectively. Our approach can also help the designer visualize the accessibility of a destination from different locations, and correct any "blind zone" with additional signs.

A Security Monitoring Framework For Virtualization Based HEP Infrastructures

NASA Astrophysics Data System (ADS)

Gomez Ramirez, A.; Martinez Pedreira, M.; Grigoras, C.; Betev, L.; Lara, C.; Kebschull, U.; ALICE Collaboration

2017-10-01

High Energy Physics (HEP) distributed computing infrastructures require automatic tools to monitor, analyze and react to potential security incidents. These tools should collect and inspect data such as resource consumption, logs and sequence of system calls for detecting anomalies that indicate the presence of a malicious agent. They should also be able to perform automated reactions to attacks without administrator intervention. We describe a novel framework that accomplishes these requirements, with a proof of concept implementation for the ALICE experiment at CERN. We show how we achieve a fully virtualized environment that improves the security by isolating services and Jobs without a significant performance impact. We also describe a collected dataset for Machine Learning based Intrusion Prevention and Detection Systems on Grid computing. This dataset is composed of resource consumption measurements (such as CPU, RAM and network traffic), logfiles from operating system services, and system call data collected from production Jobs running in an ALICE Grid test site and a big set of malware samples. This malware set was collected from security research sites. Based on this dataset, we will proceed to develop Machine Learning algorithms able to detect malicious Jobs.

Evaluating Water Demand Using Agent-Based Modeling

NASA Astrophysics Data System (ADS)

Lowry, T. S.

2004-12-01

The supply and demand of water resources are functions of complex, inter-related systems including hydrology, climate, demographics, economics, and policy. To assess the safety and sustainability of water resources, planners often rely on complex numerical models that relate some or all of these systems using mathematical abstractions. The accuracy of these models relies on how well the abstractions capture the true nature of the systems interactions. Typically, these abstractions are based on analyses of observations and/or experiments that account only for the statistical mean behavior of each system. This limits the approach in two important ways: 1) It cannot capture cross-system disruptive events, such as major drought, significant policy change, or terrorist attack, and 2) it cannot resolve sub-system level responses. To overcome these limitations, we are developing an agent-based water resources model that includes the systems of hydrology, climate, demographics, economics, and policy, to examine water demand during normal and extraordinary conditions. Agent-based modeling (ABM) develops functional relationships between systems by modeling the interaction between individuals (agents), who behave according to a probabilistic set of rules. ABM is a "bottom-up" modeling approach in that it defines macro-system behavior by modeling the micro-behavior of individual agents. While each agent's behavior is often simple and predictable, the aggregate behavior of all agents in each system can be complex, unpredictable, and different than behaviors observed in mean-behavior models. Furthermore, the ABM approach creates a virtual laboratory where the effects of policy changes and/or extraordinary events can be simulated. Our model, which is based on the demographics and hydrology of the Middle Rio Grande Basin in the state of New Mexico, includes agent groups of residential, agricultural, and industrial users. Each agent within each group determines its water usage based on its own condition and the condition of the world around it. For example, residential agents can make decisions to convert to or from xeriscaping and/or low-flow appliances based on policy implementation, economic status, weather, and climatic conditions. Agricultural agents may vary their usage by making decisions on crop distribution and irrigation design. Preliminary results show that water usage can be highly irrational under certain conditions. Results also identify sub-sectors within each group that have the highest influence on ensemble group behavior, providing a means for policy makers to target their efforts. Finally, the model is able to predict the impact of low-probability, high-impact events such as catastrophic denial of service due to natural and/or man-made events.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stampfl, Sibylle; Stampfl, Ulrike; Bellemann, Nadine

The objective of this study was to evaluate inflammatory response and recanalization after embolization with a new spherical embolic agent based on a core and shell design with a hydrogel core of polymethylmethacrylate (PMMA) and a Polyzene-F nanoscale coating in a porcine kidney model. Thirty-six minipigs were enrolled for superselective renal embolization. Polyzene-F-coated PMMA particles and uncoated PMMA particles with a diameter of 300-600 {mu}m were used. Either 4 or 12 weeks post-embolization, arteriography of the embolized kidneys was performed and then compared with pre- and immediate post-embolization arteriograms using a specific recanalization score to determine the extent of recanalization.more » Using a microscopic inflammation score (Banff classification), the embolized organs were examined for local inflammatory effects which occurred in response to the embolic agent. In Polyzene-F-coated particles, the Banff classification showed an average inflammation score of 0.26 {+-} 0.58 at 4 weeks and of 0.08 {+-} 0.28 at 12 weeks. In uncoated particles, the Banff score measured 0.37 {+-} 0.6 at 4 weeks, which was higher, but without a statistically significant difference. According to the recanalization score used in this study, mild angiographic recanalization was evident in all groups, without statistically significant differences (3.0 {+-} 0.71 in coated particles, 3.09 {+-} 0.81 in uncoated particles; p = 0.74). We conclude that both uncoated hydrogel particles and Polyzene-F-coated embolic agents triggered virtually no inflammatory response and effectively occluded target arteries. This study demonstrates good biocompatibility of the new embolic material. As in other spherical embolic agents, recanalization can occur to some degree.« less

Basic emotions and adaptation. A computational and evolutionary model

PubMed Central

2017-01-01

The core principles of the evolutionary theories of emotions declare that affective states represent crucial drives for action selection in the environment and regulated the behavior and adaptation of natural agents in ancestrally recurrent situations. While many different studies used autonomous artificial agents to simulate emotional responses and the way these patterns can affect decision-making, few are the approaches that tried to analyze the evolutionary emergence of affective behaviors directly from the specific adaptive problems posed by the ancestral environment. A model of the evolution of affective behaviors is presented using simulated artificial agents equipped with neural networks and physically inspired on the architecture of the iCub humanoid robot. We use genetic algorithms to train populations of virtual robots across generations, and investigate the spontaneous emergence of basic emotional behaviors in different experimental conditions. In particular, we focus on studying the emotion of fear, therefore the environment explored by the artificial agents can contain stimuli that are safe or dangerous to pick. The simulated task is based on classical conditioning and the agents are asked to learn a strategy to recognize whether the environment is safe or represents a threat to their lives and select the correct action to perform in absence of any visual cues. The simulated agents have special input units in their neural structure whose activation keep track of their actual “sensations” based on the outcome of past behavior. We train five different neural network architectures and then test the best ranked individuals comparing their performances and analyzing the unit activations in each individual’s life cycle. We show that the agents, regardless of the presence of recurrent connections, spontaneously evolved the ability to cope with potentially dangerous environment by collecting information about the environment and then switching their behavior to a genetically selected pattern in order to maximize the possible reward. We also prove the determinant presence of an internal time perception unit for the robots to achieve the highest performance and survivability across all conditions. PMID:29107988

The computation of lipophilicities of ⁶⁴Cu PET systems based on a novel approach for fluctuating charges.

PubMed

Comba, Peter; Martin, Bodo; Sanyal, Avik; Stephan, Holger

2013-08-21

A QSPR scheme for the computation of lipophilicities of ⁶⁴Cu complexes was developed with a training set of 24 tetraazamacrocylic and bispidine-based Cu(II) compounds and their experimentally available 1-octanol-water distribution coefficients. A minimum number of physically meaningful parameters were used in the scheme, and these are primarily based on data available from molecular mechanics calculations, using an established force field for Cu(II) complexes and a recently developed scheme for the calculation of fluctuating atomic charges. The developed model was also applied to an independent validation set and was found to accurately predict distribution coefficients of potential ⁶⁴Cu PET (positron emission tomography) systems. A possible next step would be the development of a QSAR-based biodistribution model to track the uptake of imaging agents in different organs and tissues of the body. It is expected that such simple, empirical models of lipophilicity and biodistribution will be very useful in the design and virtual screening of positron emission tomography (PET) imaging agents.

Kuwanon-L as a New Allosteric HIV-1 Integrase Inhibitor: Molecular Modeling and Biological Evaluation.

PubMed

Esposito, Francesca; Tintori, Cristina; Martini, Riccardo; Christ, Frauke; Debyser, Zeger; Ferrarese, Roberto; Cabiddu, Gianluigi; Corona, Angela; Ceresola, Elisa Rita; Calcaterra, Andrea; Iovine, Valentina; Botta, Bruno; Clementi, Massimo; Canducci, Filippo; Botta, Maurizio; Tramontano, Enzo

2015-11-01

HIV-1 integrase (IN) active site inhibitors are the latest class of drugs approved for HIV treatment. The selection of IN strand-transfer drug-resistant HIV strains in patients supports the development of new agents that are active as allosteric IN inhibitors. Here, a docking-based virtual screening has been applied to a small library of natural ligands to identify new allosteric IN inhibitors that target the sucrose binding pocket. From theoretical studies, kuwanon-L emerged as the most promising binder and was thus selected for biological studies. Biochemical studies showed that kuwanon-L is able to inhibit the HIV-1 IN catalytic activity in the absence and in the presence of LEDGF/p75 protein, the IN dimerization, and the IN/LEDGF binding. Kuwanon-L also inhibited HIV-1 replication in cell cultures. Overall, docking and biochemical results suggest that kuwanon-L binds to an allosteric binding pocket and can be considered an attractive lead for the development of new allosteric IN antiviral agents. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Case Study: Organotypic human in vitro models of embryonic ...

EPA Pesticide Factsheets

Morphogenetic fusion of tissues is a common event in embryonic development and disruption of fusion is associated with birth defects of the eye, heart, neural tube, phallus, palate, and other organ systems. Embryonic tissue fusion requires precise regulation of cell-cell and cell-matrix interactions that drive proliferation, differentiation, and morphogenesis. Chemical low-dose exposures can disrupt morphogenesis across space and time by interfering with key embryonic fusion events. The Morphogenetic Fusion Task uses computer and in vitro models to elucidate consequences of developmental exposures. The Morphogenetic Fusion Task integrates multiple approaches to model responses to chemicals that leaad to birth defects, including integrative mining on ToxCast DB, ToxRefDB, and chemical structures, advanced computer agent-based models, and human cell-based cultures that model disruption of cellular and molecular behaviors including mechanisms predicted from integrative data mining and agent-based models. The purpose of the poster is to indicate progress on the CSS 17.02 Virtual Tissue Models Morphogenesis Task 1 products for the Board of Scientific Counselors meeting on Nov 16-17.

Refining the treatment of advanced nonsmall cell lung cancer

PubMed Central

Ogita, Shin; Wozniak, Antoinette J

2010-01-01

Metastatic nonsmall cell lung cancer (NSCLC) is a debilitating and deadly disease with virtually no chance for long-term survival. Chemotherapy has improved both survival and quality of life for patients with advanced disease. Overall survival of patients with metastatic NSCLC has gradually increased from 8 to 12 months over the past three decades with the introduction of new chemotherapeutic drugs and agents directed at novel targets in the cancer cell. Epidermal growth factor receptor and vascular endothelial growth factor are two such targets. Recent developments also include treatment based on histology and the use of maintenance therapy. It has been recognized that lung cancer is a very complex disease. It is common practice to include a number of scientific correlative studies in the design of clinical trials in order to determine predictive markers of benefit from treatment. This article will review the current approach to the treatment of advanced NSCLC including the use of chemotherapy and molecularly targeted agents. Future directions including the use of potentially predictive biomarkers and innovative clinical trials aimed at a more individualized approach to treatment will also be discussed. PMID:28210103

Semantic Agent-Based Service Middleware and Simulation for Smart Cities

PubMed Central

Liu, Ming; Xu, Yang; Hu, Haixiao; Mohammed, Abdul-Wahid

2016-01-01

With the development of Machine-to-Machine (M2M) technology, a variety of embedded and mobile devices is integrated to interact via the platform of the Internet of Things, especially in the domain of smart cities. One of the primary challenges is that selecting the appropriate services or service combination for upper layer applications is hard, which is due to the absence of a unified semantical service description pattern, as well as the service selection mechanism. In this paper, we define a semantic service representation model from four key properties: Capability (C), Deployment (D), Resource (R) and IOData (IO). Based on this model, an agent-based middleware is built to support semantic service enablement. In this middleware, we present an efficient semantic service discovery and matching approach for a service combination process, which calculates the semantic similarity between services, and a heuristic algorithm to search the service candidates for a specific service request. Based on this design, we propose a simulation of virtual urban fire fighting, and the experimental results manifest the feasibility and efficiency of our design. PMID:28009818

Semantic Agent-Based Service Middleware and Simulation for Smart Cities.

PubMed

Liu, Ming; Xu, Yang; Hu, Haixiao; Mohammed, Abdul-Wahid

2016-12-21

With the development of Machine-to-Machine (M2M) technology, a variety of embedded and mobile devices is integrated to interact via the platform of the Internet of Things, especially in the domain of smart cities. One of the primary challenges is that selecting the appropriate services or service combination for upper layer applications is hard, which is due to the absence of a unified semantical service description pattern, as well as the service selection mechanism. In this paper, we define a semantic service representation model from four key properties: Capability (C), Deployment (D), Resource (R) and IOData (IO). Based on this model, an agent-based middleware is built to support semantic service enablement. In this middleware, we present an efficient semantic service discovery and matching approach for a service combination process, which calculates the semantic similarity between services, and a heuristic algorithm to search the service candidates for a specific service request. Based on this design, we propose a simulation of virtual urban fire fighting, and the experimental results manifest the feasibility and efficiency of our design.

Hidden multidimensional social structure modeling applied to biased social perception

NASA Astrophysics Data System (ADS)

Maletić, Slobodan; Zhao, Yi

2018-02-01

Intricacies of the structure of social relations are realized by representing a collection of overlapping opinions as a simplicial complex, thus building latent multidimensional structures, through which agents are, virtually, moving as they exchange opinions. The influence of opinion space structure on the distribution of opinions is demonstrated by modeling consensus phenomena when the opinion exchange between individuals may be affected by the false consensus effect. The results indicate that in the cases with and without bias, the road toward consensus is influenced by the structure of multidimensional space of opinions, and in the biased case, complete consensus is achieved. The applications of proposed modeling framework can easily be generalized, as they transcend opinion formation modeling.

ADAPT: The Agent Development and Prototyping Testbed.

PubMed

Shoulson, Alexander; Marshak, Nathan; Kapadia, Mubbasir; Badler, Norman I

2014-07-01

We present ADAPT, a flexible platform for designing and authoring functional, purposeful human characters in a rich virtual environment. Our framework incorporates character animation, navigation, and behavior with modular interchangeable components to produce narrative scenes. The animation system provides locomotion, reaching, gaze tracking, gesturing, sitting, and reactions to external physical forces, and can easily be extended with more functionality due to a decoupled, modular structure. The navigation component allows characters to maneuver through a complex environment with predictive steering for dynamic obstacle avoidance. Finally, our behavior framework allows a user to fully leverage a character's animation and navigation capabilities when authoring both individual decision-making and complex interactions between actors using a centralized, event-driven model.

Method for fluorination of actinide fluorides and oxyfluorides thereof using O.sub.2 F.sub.2

DOEpatents

Eller, Phillip G.; Malm, John G.; Penneman, Robert A.

1988-01-01

Method for fluorination of actinides and fluorides and oxyfluorides thereof using O.sub.2 F.sub.2 which generates actinide hexafluorides, and for removal of actinides and compounds thereof from surfaces upon which they appear as unwanted deposits. The fluorinating agent, O.sub.2 F.sub.2, has been observed to readily perform the above-described tasks at sufficiently low temperatures that there is virtually no damage to the containment vessels. Moreover, the resulting actinide hexafluorides are thereby not destroyed by high temperature reactions with the walls of the reaction vessel. Dioxygen difluoride is easily prepared, stored and transferred to the desired place of reaction.

Anticonvulsant activity of artificial sweeteners: a structural link between sweet-taste receptor T1R3 and brain glutamate receptors.

PubMed

Talevi, Alan; Enrique, Andrea V; Bruno-Blanch, Luis E

2012-06-15

A virtual screening campaign based on application of a topological discriminant function capable of identifying novel anticonvulsant agents indicated several widely-used artificial sweeteners as potential anticonvulsant candidates. Acesulfame potassium, cyclamate and saccharin were tested in the Maximal Electroshock Seizure model (mice, ip), showing moderate anticonvulsant activity. We hypothesized a probable structural link between the receptor responsible of sweet taste and anticonvulsant molecular targets. Bioinformatic tools confirmed a highly significant sequence-similarity between taste-related protein T1R3 and several metabotropic glutamate receptors from different species, including glutamate receptors upregulated in epileptogenesis and certain types of epilepsy. Copyright © 2012 Elsevier Ltd. All rights reserved.

Method for recovery of actinides from actinide-bearing scrap and waste nuclear material using O/sub 2/F/sub 2/

DOEpatents

Asprey, L.B.; Eller, P.G.

1984-09-12

Method for recovery of actinides from nuclear waste material containing sintered and other oxides thereof and from scrap materials containing the metal actinides using O/sub 2/F/sub 2/ to generate the hexafluorides of the actinides present therein. The fluorinating agent, O/sub 2/F/sub 2/, has been observed to perform the above-described tasks at sufficiently low temperatures that there is virtually no damage to the containment vessels. Moreover, the resulting actinide hexafluorides are not detroyed by high temperature reactions with the walls of the reaction vessel. Dioxygen difluoride is readily prepared, stored and transferred to the place of reaction.

Method for fluorination of actinide fluorides and oxyfluorides thereof using O[sub 2]F[sub 2

DOEpatents

Eller, P.G.; Malm, J.G.; Penneman, R.A.

1988-11-08

Method is described for fluorination of actinides and fluorides and oxyfluorides thereof using O[sub 2]F[sub 2] which generates actinide hexafluorides, and for removal of actinides and compounds thereof from surfaces upon which they appear as unwanted deposits. The fluorinating agent, O[sub 2]F[sub 2], has been observed to readily perform the above-described tasks at sufficiently low temperatures that there is virtually no damage to the containment vessels. Moreover, the resulting actinide hexafluorides are thereby not destroyed by high temperature reactions with the walls of the reaction vessel. Dioxygen difluoride is easily prepared, stored and transferred to the desired place of reaction.

Virtual Humans for Implantable Device Safety Assessment in MRI: Mitigating Magnetic Resonance Imaging Hazards for Implanted Medical Devices.

PubMed

Brown, James E; Qiang, Rui; Stadnik, Paul J; Stotts, Larry J; Von Arx, Jeffrey A

2017-01-01

Magnetic resonance imaging (MRI) is the preferred modality for soft tissue imaging because of its nonionizing radiation and lack of contrast agent. Due to interactions between the MR system and active implantable medical devices (AIMDs), patients with implants such as pacemakers are generally denied access to MRI, which presents a detriment to that population. It has been estimated that 50-75% of patients with a cardiac device were denied access to MRI scanning and, moreover, that 17% of pacemaker patients need an MRI within 12 months of implantation [1]. In recent years, AIMD manufacturers, such as Biotronik, have assessed the conditional safety of devices in MRI.

Computational Modeling and Simulation of Developmental ...

EPA Pesticide Factsheets

SYNOPSIS: The question of how tissues and organs are shaped during development is crucial for understanding human birth defects. Data from high-throughput screening assays on human stem cells may be utilized predict developmental toxicity with reasonable accuracy. Other types of models are necessary, however, for mechanism-specific analysis because embryogenesis requires precise timing and control. Agent-based modeling and simulation (ABMS) is an approach to virtually reconstruct these dynamics, cell-by-cell and interaction-by-interaction. Using ABMS, HTS lesions from ToxCast can be integrated with patterning systems heuristically to propagate key events This presentation to FDA-CFSAN will update progress on the applications of in silico modeling tools and approaches for assessing developmental toxicity.

Klinefelter's syndrome and Prader-Willi syndrome: a rare combination.

PubMed

Verhoeven, W M A; de Vries, B B A; Duffels, S J H; Egger, J I M; Noordam, C; Tuinier, S

2007-01-01

In this paper a review is presented of the rare combination of Klinefelter's syndrome and Prader-Willi syndrome (PWS) and a second case of this combination with a uniparental disomy (UPD) etiology of PWS is described. Patients outlined in all other 8 reports and the present case have a PWS phenotype. Virtually no information is available on the behavioral and psychopathological phenotype in this combination. The latter may be explained by the observation that psychiatric syndromes are especially prevalent in PWS patients with a UPD. It is concluded that instability in mood and behavior in this and other syndromes should be preferentially treated with mood stabilizing agents. Copyright (c) 2007 S. Karger AG, Basel.

System design in an evolving system-of-systems architecture and concept of operations

NASA Astrophysics Data System (ADS)

Rovekamp, Roger N., Jr.

Proposals for space exploration architectures have increased in complexity and scope. Constituent systems (e.g., rovers, habitats, in-situ resource utilization facilities, transfer vehicles, etc) must meet the needs of these architectures by performing in multiple operational environments and across multiple phases of the architecture's evolution. This thesis proposes an approach for using system-of-systems engineering principles in conjunction with system design methods (e.g., Multi-objective optimization, genetic algorithms, etc) to create system design options that perform effectively at both the system and system-of-systems levels, across multiple concepts of operations, and over multiple architectural phases. The framework is presented by way of an application problem that investigates the design of power systems within a power sharing architecture for use in a human Lunar Surface Exploration Campaign. A computer model has been developed that uses candidate power grid distribution solutions for a notional lunar base. The agent-based model utilizes virtual control agents to manage the interactions of various exploration and infrastructure agents. The philosophy behind the model is based both on lunar power supply strategies proposed in literature, as well as on the author's own approaches for power distribution strategies of future lunar bases. In addition to proposing a framework for system design, further implications of system-of-systems engineering principles are briefly explored, specifically as they relate to producing more robust cross-cultural system-of-systems architecture solutions.

Rational discovery of dengue type 2 non-competitive inhibitors.

PubMed

Heh, Choon H; Othman, Rozana; Buckle, Michael J C; Sharifuddin, Yusrizam; Yusof, Rohana; Rahman, Noorsaadah A

2013-07-01

Various works have been carried out in developing therapeutics against dengue. However, to date, no effective vaccine or anti-dengue agent has yet been discovered. The development of protease inhibitors is considered as a promising option, but most previous works have involved competitive inhibition. In this study, we focused on rational discovery of potential anti-dengue agents based on non-competitive inhibition of DEN-2 NS2B/NS3 protease. A homology model of the DEN-2 NS2B/NS3 protease (using West Nile Virus NS2B/NS3 protease complex, 2FP7, as the template) was used as the target, and pinostrobin, a flavanone, was used as the standard ligand. Virtual screening was performed involving a total of 13 341 small compounds, with the backbone structures of chalcone, flavanone, and flavone, available in the ZINC database. Ranking of the resulting compounds yielded compounds with higher binding affinities compared with the standard ligand. Inhibition assay of the selected top-ranking compounds against DEN-2 NS2B/NS3 proteolytic activity resulted in significantly better inhibition compared with the standard and correlated well with in silico results. In conclusion, via this rational discovery technique, better inhibitors were identified. This method can be used in further work to discover lead compounds for anti-dengue agents. © 2013 John Wiley & Sons A/S.

Ultra-wide range field-dependent measurements of the relaxivity of Gd1−xEuxVO4 nanoparticle contrast agents using a mechanical sample-shuttling relaxometer

PubMed Central

Chou, Ching-Yu; Abdesselem, Mouna; Bouzigues, Cedric; Chu, Minglee; Guiga, Angelo; Huang, Tai-Huang; Ferrage, Fabien; Gacoin, Thierry; Alexandrou, Antigoni; Sakellariou, Dimitris

2017-01-01

The current trend for Magnetic Resonance Imaging points towards higher magnetic fields. Even though sensitivity and resolution are increased in stronger fields, T1 contrast is often reduced, and this represents a challenge for contrast agent design. Field-dependent measurements of relaxivity are thus important to characterize contrast agents. At present, the field-dependent curves of relaxivity are usually carried out in the field range of 0 T to 2 T, using fast field cycling relaxometers. Here, we employ a high-speed sample shuttling device to switch the magnetic fields experienced by the nuclei between virtually zero field, and the center of any commercial spectrometer. We apply this approach on rare-earth (mixed Gadolinium-Europium) vanadate nanoparticles, and obtain the dispersion curves from very low magnetic field up to 11.7 T. In contrast to the relaxivity profiles of Gd chelates, commonly used for clinical applications, which display a plateau and then a decrease for increasing magnetic fields, these nanoparticles provide maximum contrast enhancement for magnetic fields around 1–1.5 T. These field-dependent curves are fitted using the so-called Magnetic Particle (MP) model and the extracted parameters discussed as a function of particle size and composition. We finally comment on the new possibilities offered by this approach. PMID:28317892

A Multi-Paradigm Modeling Framework to Simulate Dynamic Reciprocity in a Bioreactor

PubMed Central

Kaul, Himanshu; Cui, Zhanfeng; Ventikos, Yiannis

2013-01-01

Despite numerous technology advances, bioreactors are still mostly utilized as functional black-boxes where trial and error eventually leads to the desirable cellular outcome. Investigators have applied various computational approaches to understand the impact the internal dynamics of such devices has on overall cell growth, but such models cannot provide a comprehensive perspective regarding the system dynamics, due to limitations inherent to the underlying approaches. In this study, a novel multi-paradigm modeling platform capable of simulating the dynamic bidirectional relationship between cells and their microenvironment is presented. Designing the modeling platform entailed combining and coupling fully an agent-based modeling platform with a transport phenomena computational modeling framework. To demonstrate capability, the platform was used to study the impact of bioreactor parameters on the overall cell population behavior and vice versa. In order to achieve this, virtual bioreactors were constructed and seeded. The virtual cells, guided by a set of rules involving the simulated mass transport inside the bioreactor, as well as cell-related probabilistic parameters, were capable of displaying an array of behaviors such as proliferation, migration, chemotaxis and apoptosis. In this way the platform was shown to capture not only the impact of bioreactor transport processes on cellular behavior but also the influence that cellular activity wields on that very same local mass transport, thereby influencing overall cell growth. The platform was validated by simulating cellular chemotaxis in a virtual direct visualization chamber and comparing the simulation with its experimental analogue. The results presented in this paper are in agreement with published models of similar flavor. The modeling platform can be used as a concept selection tool to optimize bioreactor design specifications. PMID:23555740

Virtual management of radiology examinations in the virtual radiology environment using common object request broker architecture services.

PubMed

Martinez, R; Rozenblit, J; Cook, J F; Chacko, A K; Timboe, H L

1999-05-01

In the Department of Defense (DoD), US Army Medical Command is now embarking on an extremely exciting new project--creating a virtual radiology environment (VRE) for the management of radiology examinations. The business of radiology in the military is therefore being reengineered on several fronts by the VRE Project. In the VRE Project, a set of intelligent agent algorithms determine where examinations are to routed for reading bases on a knowledge base of the entire VRE. The set of algorithms, called the Meta-Manager, is hierarchical and uses object-based communications between medical treatment facilities (MTFs) and medical centers that have digital imaging network picture archiving and communications systems (DIN-PACS) networks. The communications is based on use of common object request broker architecture (CORBA) objects and services to send patient demographics and examination images from DIN-PACS networks in the MTFs to the DIN-PACS networks at the medical centers for diagnosis. The Meta-Manager is also responsible for updating the diagnosis at the originating MTF. CORBA services are used to perform secure message communications between DIN-PACS nodes in the VRE network. The Meta-Manager has a fail-safe architecture that allows the master Meta-Manager function to float to regional Meta-Manager sites in case of server failure. A prototype of the CORBA-based Meta-Manager is being developed by the University of Arizona's Computer Engineering Research Laboratory using the unified modeling language (UML) as a design tool. The prototype will implement the main functions described in the Meta-Manager design specification. The results of this project are expected to reengineer the process of radiology in the military and have extensions to commercial radiology environments.

Virtual Milgram: Empathic Concern or Personal Distress? Evidence from Functional MRI and Dispositional Measures

PubMed Central

Cheetham, Marcus; Pedroni, Andreas F.; Antley, Angus; Slater, Mel; Jäncke, Lutz

2009-01-01

One motive for behaving as the agent of another's aggression appears to be anchored in as yet unelucidated mechanisms of obedience to authority. In a recent partial replication of Milgram's obedience paradigm within an immersive virtual environment, participants administered pain to a female virtual human and observed her suffering. Whether the participants’ response to the latter was more akin to other-oriented empathic concern for her well-being or to a self-oriented aversive state of personal distress in response to her distress is unclear. Using the stimuli from that study, this event-related fMRI-based study analysed brain activity during observation of the victim in pain versus not in pain. This contrast revealed activation in pre-defined brain areas known to be involved in affective processing but not in those commonly associated with affect sharing (e.g., ACC and insula). We then examined whether different dimensions of dispositional empathy predict activity within the same pre-defined brain regions: While personal distress and fantasy (i.e., tendency to transpose oneself into fictional situations and characters) predicted brain activity, empathic concern and perspective taking predicted no change in neuronal response associated with pain observation. These exploratory findings suggest that there is a distinct pattern of brain activity associated with observing the pain-related behaviour of the victim within the context of this social dilemma, that this observation evoked a self-oriented aversive state of personal distress, and that the objective “reality” of pain is of secondary importance for this response. These findings provide a starting point for experimentally more rigorous investigation of obedience. PMID:19876407

The Sense of Agency Is More Sensitive to Manipulations of Outcome than Movement-Related Feedback Irrespective of Sensory Modality

PubMed Central

David, Nicole; Skoruppa, Stefan; Gulberti, Alessandro

2016-01-01

The sense of agency describes the ability to experience oneself as the agent of one's own actions. Previous studies of the sense of agency manipulated the predicted sensory feedback related either to movement execution or to the movement’s outcome, for example by delaying the movement of a virtual hand or the onset of a tone that resulted from a button press. Such temporal sensorimotor discrepancies reduce the sense of agency. It remains unclear whether movement-related feedback is processed differently than outcome-related feedback in terms of agency experience, especially if these types of feedback differ with respect to sensory modality. We employed a mixed-reality setup, in which participants tracked their finger movements by means of a virtual hand. They performed a single tap, which elicited a sound. The temporal contingency between the participants’ finger movements and (i) the movement of the virtual hand or (ii) the expected auditory outcome was systematically varied. In a visual control experiment, the tap elicited a visual outcome. For each feedback type and participant, changes in the sense of agency were quantified using a forced-choice paradigm and the Method of Constant Stimuli. Participants were more sensitive to delays of outcome than to delays of movement execution. This effect was very similar for visual or auditory outcome delays. Our results indicate different contributions of movement- versus outcome-related sensory feedback to the sense of agency, irrespective of the modality of the outcome. We propose that this differential sensitivity reflects the behavioral importance of assessing authorship of the outcome of an action. PMID:27536948

Virtual Screening as a Strategy for the Identification of Xenobiotics Disrupting Corticosteroid Action

PubMed Central

Praxmarer, Lukas; Chantong, Boonrat; Cereghetti, Diego; Winiger, Rahel; Schuster, Daniela; Odermatt, Alex

2012-01-01

Background Impaired corticosteroid action caused by genetic and environmental influence, including exposure to hazardous xenobiotics, contributes to the development and progression of metabolic diseases, cardiovascular complications and immune disorders. Novel strategies are thus needed for identifying xenobiotics that interfere with corticosteroid homeostasis. 11β-hydroxysteroid dehydrogenase 2 (11β-HSD2) and mineralocorticoid receptors (MR) are major regulators of corticosteroid action. 11β-HSD2 converts the active glucocorticoid cortisol to the inactive cortisone and protects MR from activation by glucocorticoids. 11β-HSD2 has also an essential role in the placenta to protect the fetus from high maternal cortisol concentrations. Methods and Principal Findings We employed a previously constructed 3D-structural library of chemicals with proven and suspected endocrine disrupting effects for virtual screening using a chemical feature-based 11β-HSD pharmacophore. We tested several in silico predicted chemicals in a 11β-HSD2 bioassay. The identified antibiotic lasalocid and the silane-coupling agent AB110873 were found to concentration-dependently inhibit 11β-HSD2. Moreover, the silane AB110873 was shown to activate MR and stimulate mitochondrial ROS generation and the production of the proinflammatory cytokine interleukin-6 (IL-6). Finally, we constructed a MR pharmacophore, which successfully identified the silane AB110873. Conclusions Screening of virtual chemical structure libraries can facilitate the identification of xenobiotics inhibiting 11β-HSD2 and/or activating MR. Lasalocid and AB110873 belong to new classes of 11β-HSD2 inhibitors. The silane AB110873 represents to the best of our knowledge the first industrial chemical shown to activate MR. Furthermore, the MR pharmacophore can now be used for future screening purposes. PMID:23056542

Exploring inhibitory potential of Curcumin against various cancer targets by in silico virtual screening.

PubMed

Mahajanakatti, Arpitha Badarinath; Murthy, Geetha; Sharma, Narasimha; Skariyachan, Sinosh

2014-03-01

Various types of cancer accounts for 10% of total death worldwide which necessitates better therapeutic strategies. Curcumin, a curcuminoid present in Curcuma longa, shown to exhibit antioxidant, anti-inflammatory and anticarcinogenic properties. Present study, we aimed to analyze inhibitory properties of curcumin towards virulent proteins for various cancers by computer aided virtual screening. Based on literature studies, twenty two receptors were selected which have critical virulent functions in various cancer. The binding efficiencies of curcumin towards selected targets were studied by molecular docking. Out of all, curcumin showed best results towards epidermal growth factor (EGF), virulent protein of gastric cancer; glutathione-S-transferase Pi gene (GST-PI), virulent protein for prostate cancer; platelet-derived growth factor alpha (PDGFA), virulent protein for mesothelioma and glioma compared with their natural ligands. The calculated binding energies of their docked conformations with curcumin found to be -7.59 kcal/mol, -7.98 kcal/mol and -7.93 kcal/mol respectively. Further, a comparative study was performed to screen binding efficiency of curcumin with two conventional antitumor agents, litreol and triterpene. Docking studies revealed that calculated binding energies of docked complex of litreol and EGF, GST-PI and PDGFA were found to be -5.08 kcal/mol, -3.69 kcal/mol and -1.86 kcal/mol respectively. The calculated binding energies of triterpene with EGF and PDGFA were found to be -4.02 kcal/mol and -3.11 kcal/mol respectively, whereas GST-PI showed +6.07 kcal/mol, indicate poor binding. The predicted pharmacological features of curcumin found to be better than litreol and triterpene. Our study concluded that curcumin has better interacting properties towards these cancer targets than their normal ligands and conventional antitumor agents. Our data pave insight for designing of curcumin as novel inhibitors against various types of cancer.

A first telecoupling analysis of multi-species poaching trade in Nepal: When outside demands seek and distribute a local resource in times of globalization

NASA Astrophysics Data System (ADS)

Regmi, G. R.; Lama, R. P.; Puri, G.; Huettmann, F.

2016-12-01

Asia remains one of the last wilderness resources in the world. It's widely praised for those resources and they are in a global appreciation and demand. Considering open borders, many of them virtually uncontrollable in Asia, and globalization in full swing, precious local resources become available to a global audience without much constraint though. Nepal and its unique biodiversity presents us with one of such cases while hard data remain elusive. Here we present a first telecoupling analysis based on poaching and crime statistics presented in the public print national daily newspapers (Kantipur and Gorkhapatra) in Nepal. This review highlights a few high-profile species (timber: Sal Shorea robusta , Sissoo Dalbergia sissoo, Pine Pinus species; aromatic and medicinal plants: Red Sandal Wood Santalum album, Orchid Orchid species, Paris Paris polyphylla, Jatamashi Nardostachys grandiflora, Kutki Picrorhyza scrophulariiflora and wildlife: Royal Bengal Tiger Panthera tigris tigris, Rhino Rhinoceros unicornis, Pangolin Manis species, Common Leopard Panthera pardus, Red Panda Ailurus fulgens, Snow Leopard Panthera uncia) in Nepal, traded out directly and illegally to India and China. We provide a wider perspective regarding sending, receiving and spill-over agents. Arguably, the western world as the spill-over agent set up a globalization framework that allows for items, virtually any items, to be shipped across borders, e.g. done on foot, by car or plane. It further allows to create and satisfy a demand by the receiver (=nations in wider Asia), and a system that circumvents the legal structure in the sending location (=Nepal and its biodiversity hotspots and wilderness). We extend the traditional telecoupling analysis with a flow analysis of money, remittance payments and banking networks. This research describes for the first time such a system which is by now essentially found worldwide, how it operates, what devastating impacts it leaves behind on landscapes, and how to resolve it for betterment.

Computational redesign of bacterial biotin carboxylase inhibitors using structure-based virtual screening of combinatorial libraries.

PubMed

Brylinski, Michal; Waldrop, Grover L

2014-04-02

As the spread of antibiotic resistant bacteria steadily increases, there is an urgent need for new antibacterial agents. Because fatty acid synthesis is only used for membrane biogenesis in bacteria, the enzymes in this pathway are attractive targets for antibacterial agent development. Acetyl-CoA carboxylase catalyzes the committed and regulated step in fatty acid synthesis. In bacteria, the enzyme is composed of three distinct protein components: biotin carboxylase, biotin carboxyl carrier protein, and carboxyltransferase. Fragment-based screening revealed that amino-oxazole inhibits biotin carboxylase activity and also exhibits antibacterial activity against Gram-negative organisms. In this report, we redesigned previously identified lead inhibitors to expand the spectrum of bacteria sensitive to the amino-oxazole derivatives by including Gram-positive species. Using 9,411 small organic building blocks, we constructed a diverse combinatorial library of 1.2×10⁸ amino-oxazole derivatives. A subset of 9×10⁶ of these compounds were subjected to structure-based virtual screening against seven biotin carboxylase isoforms using similarity-based docking by eSimDock. Potentially broad-spectrum antibiotic candidates were selected based on the consensus ranking by several scoring functions including non-linear statistical models implemented in eSimDock and traditional molecular mechanics force fields. The analysis of binding poses of the top-ranked compounds docked to biotin carboxylase isoforms suggests that: (1) binding of the amino-oxazole anchor is stabilized by a network of hydrogen bonds to residues 201, 202 and 204; (2) halogenated aromatic moieties attached to the amino-oxazole scaffold enhance interactions with a hydrophobic pocket formed by residues 157, 169, 171 and 203; and (3) larger substituents reach deeper into the binding pocket to form additional hydrogen bonds with the side chains of residues 209 and 233. These structural insights into drug-biotin carboxylase interactions will be tested experimentally in in vitro and in vivo systems to increase the potency of amino-oxazole inhibitors towards both Gram-negative as well as Gram-positive species.

Plant Tissues in 3D via X-Ray Tomography: Simple Contrasting Methods Allow High Resolution Imaging

PubMed Central

Staedler, Yannick M.; Masson, David; Schönenberger, Jürg

2013-01-01

Computed tomography remains strongly underused in plant sciences despite its high potential in delivering detailed 3D phenotypical information because of the low X-ray absorption of most plant tissues. Existing protocols to study soft tissues display poor performance, especially when compared to those used on animals. More efficient protocols to study plant material are therefore needed. Flowers of Arabidopsis thaliana and Marcgravia caudata were immersed in a selection of contrasting agents used to treat samples for transmission electron microscopy. Grayscale values for floral tissues and background were measured as a function of time. Contrast was quantified via a contrast index. The thick buds of Marcgravia were scanned to determine which contrasting agents best penetrate thick tissues. The highest contrast increase with cytoplasm-rich tissues was obtained with phosphotungstate, whereas osmium tetroxide and bismuth tatrate displayed the highest contrast increase with vacuolated tissues. Phosphotungstate also displayed the best sample penetration. Furthermore, infiltration with phosphotungstate allowed imaging of all plants parts at a high resolution of 3 µm, which approaches the maximum resolution of our equipment: 1.5 µm. The high affinity of phosphotungstate for vasculature, cytoplasm-rich tissue, and pollen causes these tissues to absorb more X-rays than the surrounding tissues, which, in turn, makes these tissues appear brighter on the scan data. Tissues with different brightness can then be virtually dissected from each other by selecting the bracket of grayscale to be visualized. Promising directions for the future include in silico phenotyping and developmental studies of plant inner parts (e.g., ovules, vasculature, pollen, and cell nuclei) via virtual dissection as well as correlations of quantitative phenotypes with omics datasets. Therefore, this work represents a crucial improvement of previous methods, allowing new directions of research to be undertaken in areas ranging from morphology to systems biology. PMID:24086499

An internet-based virtual coach to promote physical activity adherence in overweight adults: randomized controlled trial.

PubMed

Watson, Alice; Bickmore, Timothy; Cange, Abby; Kulshreshtha, Ambar; Kvedar, Joseph

2012-01-26

Addressing the obesity epidemic requires the development of effective, scalable interventions. Pedometers and Web-based programs are beneficial in increasing activity levels but might be enhanced by the addition of nonhuman coaching. We hypothesized that a virtual coach would increase activity levels, via step count, in overweight or obese individuals beyond the effect observed using a pedometer and website alone. We recruited 70 participants with a body mass index (BMI) between 25 and 35 kg/m(2) from the Boston metropolitan area. Participants were assigned to one of two study arms and asked to wear a pedometer and access a website to view step counts. Intervention participants also met with a virtual coach, an automated, animated computer agent that ran on their home computers, set goals, and provided personalized feedback. Data were collected and analyzed in 2008. The primary outcome measure was change in activity level (percentage change in step count) over the 12-week study, split into four 3-week time periods. Major secondary outcomes were change in BMI and participants' satisfaction. The mean age of participants was 42 years; the majority of participants were female (59/70, 84%), white (53/70, 76%), and college educated (68/70, 97%). Of the initial 70 participants, 62 completed the study. Step counts were maintained in intervention participants but declined in controls. The percentage change in step count between those in the intervention and control arms, from the start to the end, did not reach the threshold for significance (2.9% vs -12.8% respectively, P = .07). However, repeated measures analysis showed a significant difference when comparing percentage changes in step counts between control and intervention participants over all time points (analysis of variance, P = .02). There were no significant changes in secondary outcome measures. The virtual coach was beneficial in maintaining activity level. The long-term benefits and additional applications of this technology warrant further study. ClinicalTrials.gov NCT00792207; http://clinicaltrials.gov/ct2/show/NCT00792207 (Archived by WebCite at http://www.webcitation.org/63sm9mXUD).

Rational drug design for anti-cancer chemotherapy: multi-target QSAR models for the in silico discovery of anti-colorectal cancer agents.

PubMed

Speck-Planche, Alejandro; Kleandrova, Valeria V; Luan, Feng; Cordeiro, M Natália D S

2012-08-01

The discovery of new and more potent anti-cancer agents constitutes one of the most active fields of research in chemotherapy. Colorectal cancer (CRC) is one of the most studied cancers because of its high prevalence and number of deaths. In the current pharmaceutical design of more efficient anti-CRC drugs, the use of methodologies based on Chemoinformatics has played a decisive role, including Quantitative-Structure-Activity Relationship (QSAR) techniques. However, until now, there is no methodology able to predict anti-CRC activity of compounds against more than one CRC cell line, which should constitute the principal goal. In an attempt to overcome this problem we develop here the first multi-target (mt) approach for the virtual screening and rational in silico discovery of anti-CRC agents against ten cell lines. Here, two mt-QSAR classification models were constructed using a large and heterogeneous database of compounds. The first model was based on linear discriminant analysis (mt-QSAR-LDA) employing fragment-based descriptors while the second model was obtained using artificial neural networks (mt-QSAR-ANN) with global 2D descriptors. Both models correctly classified more than 90% of active and inactive compounds in training and prediction sets. Some fragments were extracted from the molecules and their contributions to anti-CRC activity were calculated using mt-QSAR-LDA model. Several fragments were identified as potential substructural features responsible for the anti-CRC activity and new molecules designed from those fragments with positive contributions were suggested and correctly predicted by the two models as possible potent and versatile anti-CRC agents. Copyright © 2012 Elsevier Ltd. All rights reserved.

Curious discoveries in antiviral drug development: the role of serendipity.

PubMed

De Clercq, Erik

2015-07-01

Antiviral drug development has often followed a curious meandrous route, guided by serendipity rather than rationality. This will be illustrated by ten examples. The polyanionic compounds (i) polyethylene alanine (PEA) and (ii) suramin were designed as an antiviral agent (PEA) or known as an antitrypanosomal agent (suramin), before they emerged as, respectively, a depilatory agent, or reverse transcriptase inhibitor. The 2',3'-dideoxynucleosides (ddNs analogues) (iii) have been (and are still) used in the "Sanger" DNA sequencing technique, although they are now commercialized as nucleoside reverse transcriptase inhibitors (NRTIs) in the treatment of HIV infections. (E)-5-(2-Bromovinyl)-2'-deoxyuridine (iv) was discovered as a selective anti-herpes simplex virus compound and is now primarily used for the treatment of varicella-zoster virus infections. The prototype of the acyclic nucleoside phosphonates (ANPs), (S)-9-(3-hydroxy-2-phosphonylmethoxypropyl)adenine [(S)-HPMPA], (v) was never commercialized, although it gave rise to several marketed products (cidofovir, adefovir, and tenofovir). 1-[2-(Hydroxyethoxy)methyl]-6-(phenylthio)thymine (vi) and TIBO (tetrahydroimidazo[4,5,1-jk][1,4-benzodiazepin-2(1H)]-one and -thione) (vii) paved the way to a number of compounds (i.e., nevirapine, delavirdine, etravirine, and rilpivirine), which are now collectively called non-NRTIs. The bicyclam AMD3100 (viii) was originally described as an anti-HIV agent before it became later marketed as a stem cell mobilizer. The S-adenosylhomocysteine hydrolase inhibitors (ix), while active against a broad range of (-)RNA viruses and poxviruses may be particularly effective against Ebola virus, and for (x) the O-ANP derivatives, the potential application range encompasses virtually all DNA viruses. © 2015 Wiley Periodicals, Inc.

Easy and Fast Method for the Determination of Biogenic Amines in Fish and Fish Products with Liquid Chromatography Coupled to Orbitrap Tandem Mass Spectrometry.

PubMed

Kaufmann, Anton; Maden, Kathryn

2018-03-01

A quantitative method for the determination of biogenic amines was developed. The method is characterized by the virtual absence of sample cleanup and does not require a derivatization reaction. Diluted extracts are centrifuged, filtrated, and directly injected into an ultra-HPLC column, which is coupled to a single-stage high-resolution mass spectrometer (Orbitrap). The chromatography is based on a reversed-phase column and an eluent containing an ion-pairing agent (heptafluorobutyric acid). The high sensitivity of the instrument permits the injection of very diluted extracts, which ensures stable retention times and the virtual absence of signal suppression effects. In addition, the quantification of histamine (a regulated compound) is further aided by the use of an isotopically labeled internal standard. The method was validated for three fish-based matrixes. Both the sample processing and the analytical measurement are very fast; hence, the methodology is ideal for high-throughput work. In addition, the method is significantly more selective than conventional methods (i.e., derivatization followed by LC with UV/fluorescence (FL) detection) for biogenic amines. A comparison showed that LC-UV/FL methods can produce false-positive findings due to coeluting matrix compounds.

Training of Community Health Agents in health hearing children: current perspectives.

PubMed

Castro, Taís Teixeira de Oliveira; Zucki, Fernanda

2015-01-01

To characterize the training of Community Health Workers in the field of child hearing health. A systematic literature review on Biblioteca Virtual em Saúde (BVS) and Biblioteca Digital de Teses e Dissertações of USP databases was performed. The search strategy was oriented by the specific question: "How have the Community Health Workers been trained to work in the field of child hearing health?" The study selection criteria involved consistency with the proposed theme, belonging to the category of scientific papers, dissertation or thesis, and publication in Brazilian Portuguese. A total of 2,687 studies were found. After analyzing the title and abstract, eight studies were chosen for full reading, however, only four of them met the proposed criteria and were included in the review. The studies indicated live and virtual classes with the use of video conferencing or CD-ROM as training strategies for Community Health Workers. Trainings were effective. Only one questionnaire about hearing and language monitoring was described. Different possibilities for the activities of Community Health Workers were identified. Different learning methodologies have been used for training the Community Health Worker in the field of child hearing health, and all of have proven effective for knowledge acquisition. Community Health Workers play an important role in promoting and monitoring child hearing health.

Acoustic radiation force impulse (ARFI) ultrasound imaging of pancreatic cystic lesions.

PubMed

D'Onofrio, M; Gallotti, A; Salvia, R; Capelli, P; Mucelli, R Pozzi

2011-11-01

To evaluate the ARFI ultrasound imaging with Virtual Touch tissue quantification in studying pancreatic cystic lesions, compared with phantom fluid models. Different phantom fluids at different viscosity or density (water, iodinate contrast agent, and oil) were evaluated by two independent operators. From September to December 2008, 23 pancreatic cystic lesions were prospectively studied. All lesions were pathologically confirmed. Non-numerical values on water and numerical values on other phantoms were obtained. Inter-observer evaluation revealed a perfect correlation (rs=1.00; p<0.0001) between all measurements achieved by both operators per each balloon and fluid. Among the pancreatic cystic lesions, 14 mucinous cystadenomas, 4 pseudocysts, 3 intraductal papillary-mucinous neoplasms and 2 serous cystadenomas were studied. The values obtained ranged from XXXX/0-4,85 m/s in mucinous cystadenomas, from XXXX/0-3,11 m/s in pseudocysts, from XXXX/0-4,57 m/s in intraductal papillary-mucinous neoplasms. In serous cystadenomas all values measured were XXXX/0m/s. Diagnostic accuracy in benign and non-benign differentiation of pancreatic cystic lesions was 78%. Virtual Touch tissue quantification can be applied in the analysis of fluids and is potentially able to differentiate more complex (mucinous) from simple (serous) content in studying pancreatic cystic lesions. Copyright © 2010 Elsevier Ireland Ltd. All rights reserved.

Torrenting values, feelings, and thoughts—Cyber nursing and virtual self-care in a breast augmentation forum

PubMed Central

Martin Salzmann-Erikson, R.N.; Henrik Eriksson, R.N.T.

2011-01-01

Earlier research shows that breast augmentation is positively correlated with positive psychological states. The aim of this study was to explore the shared values, feelings, and thoughts within the culture of breast enlargement among women visiting Internet-based forums when considering and/or undergoing esthetic plastic surgery. The study used a netnographic method for gathering and analyzing data. The findings show that the women used the Internet forum to provide emotional support to other women. Through electronic postings, they cared for and nursed each others’ anxiety and feelings throughout the whole process. Apart from the process, another central issue was that the women's relationships were frequently discussed; specifically their relationship to themselves, their environment, and with the surgeons. The findings suggest that Internet forums represent a channel through which posters can share values, feelings, and thoughts from the position of an agent of action as well as from a position as the object of action. These dual positions and the medium endow the women with a virtual nursing competence that would otherwise be unavailable. By introducing the concept of torrenting as a means of sharing important self-care information, the authors provide a concept that can be further explored in relation to post modern self-care strategies within contemporary nursing theories and practice. PMID:22053162

Novel colchicine-site binders with a cyclohexanedione scaffold identified through a ligand-based virtual screening approach.

PubMed

Canela, María-Dolores; Pérez-Pérez, María-Jesús; Noppen, Sam; Sáez-Calvo, Gonzalo; Díaz, J Fernando; Camarasa, María-José; Liekens, Sandra; Priego, Eva-María

2014-05-22

Vascular disrupting agents (VDAs) constitute an innovative anticancer therapy that targets the tumor endothelium, leading to tumor necrosis. Our approach for the identification of new VDAs has relied on a ligand 3-D shape similarity virtual screening (VS) approach using the ROCS program as the VS tool and as query colchicine and TN-16, which both bind the α,β-tubulin dimer. One of the hits identified, using TN-16 as query, has been explored by the synthesis of its structural analogues, leading to 2-(1-((2-methoxyphenyl)amino)ethylidene)-5-phenylcyclohexane-1,3-dione (compound 16c) with an IC50 = 0.09 ± 0.01 μM in HMEC-1 and BAEC, being 100-fold more potent than the initial hit. Compound 16c caused cell cycle arrest in the G2/M phase and interacted with the colchicine-binding site in tubulin, as confirmed by a competition assay with N,N'-ethylenebis(iodoacetamide) and by fluorescence spectroscopy. Moreover, 16c destroyed an established endothelial tubular network at 1 μM and inhibited the migration and invasion of human breast carcinoma cells at 0.4 μM. In conclusion, our approach has led to a new chemotype of promising antiproliferative compounds with antimitotic and potential VDA properties.

Silylated Acid Hardened Resist [SAHR] Technology: Positive, Dry Developable Deep UV Resists

NASA Astrophysics Data System (ADS)

Thackeray, James W.; Bohland, John F.; Pavelchek, , Edward K.; Orsula, George W.; McCullough, Andrew W.; Jones, Susan K.; Bobbio, Stephen M.

1990-01-01

This paper describes continuing efforts in the development of Acid Hardened Resist (AHR) systems for use in deep UV photolithography. The Silylated AHR (SAHR) process treats a highly absorbing resist, such as XP-8928, with trimethylsilyldiethylamine. The exposed, crosslinked areas show virtually no reactivity with the silylating agent, and the unexposed areas incorporate 10 to 12% by weight silicon in the film. The silicon appears to incorporate from the exterior in a constant concentration, consistent with Case II diffusion. Subsequent dry etching leads to a positive tone image. The contrast is 5, and the photospeed is ~10 mJ/cm2. Resolution of 0.5 μm line/space pairs has been demonstrated, although substantial proximity effects are encountered.

Acceptability of a Virtual Patient Educator for Hispanic Women.

PubMed

Wells, Kristen J; Vàzquez-Otero, Coralia; Bredice, Marissa; Meade, Cathy D; Chaet, Alexis; Rivera, Maria I; Arroyo, Gloria; Proctor, Sara K; Barnes, Laura E

2015-01-01

There are few Spanish language interactive, technology-driven health education programs. Objectives of this feasibility study were to (a) learn more about computer and technology usage among Hispanic women living in a rural community and (b) evaluate acceptability of the concept of using an embodied conversational agent (ECA) computer application among this population. A survey about computer usage history and interest in computers was administered to a convenience sample of 26 women. A sample video prototype of a hospital discharge ECA was administered followed by questions to gauge opinion about the ECA. Data indicate women exhibited both a high level of computer experience and enthusiasm for the ECA. Feedback from community is essential to ensure equity in state of the art dissemination of health information.

The VTIE telescope resource management system

NASA Astrophysics Data System (ADS)

Busschots, B.; Keating, J. G.

2005-06-01

The VTIE Telescope Resource Management System (TRMS) provides a frame work for managing a distributed group of internet telescopes as a single "Virtual Observatory". The TRMS provides hooks which allow for it to be connected to any Java Based web portal and for a Java based scheduler to be added to it. The TRMS represents each telescope and observatory in the system with a software agent and then allows the scheduler and web portal to communicate with these distributed resources in a simple transparent way, hence allowing the scheduler and portal designers to concentrate only on what they wish to do with these resources rather than how to communicate with them. This paper outlines the structure and implementation of this frame work.

Virtualization - A Key Cost Saver in NASA Multi-Mission Ground System Architecture

NASA Technical Reports Server (NTRS)

Swenson, Paul; Kreisler, Stephen; Sager, Jennifer A.; Smith, Dan

2014-01-01

With science team budgets being slashed, and a lack of adequate facilities for science payload teams to operate their instruments, there is a strong need for innovative new ground systems that are able to provide necessary levels of capability processing power, system availability and redundancy while maintaining a small footprint in terms of physical space, power utilization and cooling.The ground system architecture being presented is based off of heritage from several other projects currently in development or operations at Goddard, but was designed and built specifically to meet the needs of the Science and Planetary Operations Control Center (SPOCC) as a low-cost payload command, control, planning and analysis operations center. However, this SPOCC architecture was designed to be generic enough to be re-used partially or in whole by other labs and missions (since its inception that has already happened in several cases!)The SPOCC architecture leverages a highly available VMware-based virtualization cluster with shared SAS Direct-Attached Storage (DAS) to provide an extremely high-performing, low-power-utilization and small-footprint compute environment that provides Virtual Machine resources shared among the various tenant missions in the SPOCC. The storage is also expandable, allowing future missions to chain up to 7 additional 2U chassis of storage at an extremely competitive cost if they require additional archive or virtual machine storage space.The software architecture provides a fully-redundant GMSEC-based message bus architecture based on the ActiveMQ middleware to track all health and safety status within the SPOCC ground system. All virtual machines utilize the GMSEC system agents to report system host health over the GMSEC bus, and spacecraft payload health is monitored using the Hammers Integrated Test and Operations System (ITOS) Galaxy Telemetry and Command (TC) system, which performs near-real-time limit checking and data processing on the downlinked data stream and injects messages into the GMSEC bus that are monitored to automatically page the on-call operator or Systems Administrator (SA) when an off-nominal condition is detected. This architecture, like the LTSP thin clients, are shared across all tenant missions.Other required IT security controls are implemented at the ground system level, including physical access controls, logical system-level authentication authorization management, auditing and reporting, network management and a NIST 800-53 FISMA-Moderate IT Security plan Risk Assessment Contingency Plan, helping multiple missions share the cost of compliance with agency-mandated directives.The SPOCC architecture provides science payload control centers and backup mission operations centers with a cost-effective, standardized approach to virtualizing and monitoring resources that were traditionally multiple racks full of physical machines. The increased agility in deploying new virtual systems and thin client workstations can provide significant savings in personnel costs for maintaining the ground system. The cost savings in procurement, power, rack footprint and cooling as well as the shared multi-mission design greatly reduces upfront cost for missions moving into the facility. Overall, the authors hope that this architecture will become a model for how future NASA operations centers are constructed!

Targeted delivery of antibody-based therapeutic and imaging agents to CNS tumors: Crossing the blood-brain-barrier divide

PubMed Central

Chacko, Ann-Marie; Li, Chunsheng; Pryma, Daniel A.; Brem, Steven; Coukos, George; Muzykantov, Vladimir R.

2014-01-01

Introduction Brain tumors are inherently difficult to treat in large part due to the cellular blood-brain barriers (BBB) that limit the delivery of therapeutics to the tumor tissue from the systemic circulation. Virtually no large-molecules, including antibody-based proteins, can penetrate the BBB. With antibodies fast becoming attractive ligands for highly specific molecular targeting to tumor antigens, a variety of methods are being investigated to enhance the access of these agents to intracranial tumors for imaging or therapeutic applications. Areas covered This review describes the characteristics of the BBB and the vasculature in brain tumors, described as the blood-brain tumor barrier (BBTB). Antibodies targeted to molecular markers of CNS tumors will be highlighted, and current strategies for enhancing the delivery of antibodies across these cellular barriers into the brain parenchyma to the tumor will be discussed. Non-invasive imaging approaches to assess BBB/BBTB permeability and/or antibody targeting will be presented as a means of guiding the optimal delivery of targeted agents to brain tumors. Expert Opinion Pre-clinical and clinical studies highlight the potential of several approaches in increasing brain tumor delivery across the blood-brain barrier divide. However, each carries its own risks and challenges. There is tremendous potential in using neuroimaging strategies to assist in understanding and defining the challenges to translating and optimizing molecularly-targeted antibody delivery to CNS tumors to improve clinical outcomes. PMID:23751126

Identifying and Modeling Dynamic Preference Evolution in Multipurpose Water Resources Systems

NASA Astrophysics Data System (ADS)

Mason, E.; Giuliani, M.; Castelletti, A.; Amigoni, F.

2018-04-01

Multipurpose water systems are usually operated on a tradeoff of conflicting operating objectives. Under steady state climatic and socioeconomic conditions, such tradeoff is supposed to represent a fair and/or efficient preference. Extreme variability in external forcing might affect water operators' risk aversion and force a change in her/his preference. Properly accounting for these shifts is key to any rigorous retrospective assessment of the operator's behaviors, and to build descriptive models for projecting the future system evolution. In this study, we explore how the selection of different preferences is linked to variations in the external forcing. We argue that preference selection evolves according to recent, extreme variations in system performance: underperforming in one of the objectives pushes the preference toward the harmed objective. To test this assumption, we developed a rational procedure to simulate the operator's preference selection. We map this selection onto a multilateral negotiation, where multiple virtual agents independently optimize different objectives. The agents periodically negotiate a compromise policy for the operation of the system. Agents' attitudes in each negotiation step are determined by the recent system performance measured by the specific objective they maximize. We then propose a numerical model of preference dynamics that implements a concept from cognitive psychology, the availability bias. We test our modeling framework on a synthetic lake operated for flood control and water supply. Results show that our model successfully captures the operator's preference selection and dynamic evolution driven by extreme wet and dry situations.

An agent-based model for an air emissions cap and trade program: A case study in Taiwan.

PubMed

Huang, Hsing-Fu; Ma, Hwong-Wen

2016-12-01

To determine the actual status of individuals in a system and the trading interaction between polluters, this study uses an agent-based model to set up a virtual world that represents the Kaohsiung and Pingtung regions in Taiwan, which are under the country's air emissions cap and trade program. The model can simulate each controlled industry's dynamic behavioral condition with the bottom-up method and can investigate the impact of the program and determine the industry's emissions reduction and trading condition. This model can be used elastically to predict the impact of the trading market through adjusting different settings of the program rules or combining the settings with other measures. The simulation results show that the emissions trading market has an oversupply, but we find that the market trading amounts are low. Additionally, we find that increasing the air pollution fee and offset rate restrains the agents' trading decision, according to the simulation results of each scenario. In particular, NO x and SO x trading amounts are easily impacted by the pollution fee, reduction rate, and offset rate. Also, the more transparent the market, the more it can help polluters trade. Therefore, if authorities want to intervene in the emissions trading market, they must be careful in adjusting the air pollution fee and program rules; otherwise, the trading market system cannot work effectively. We also suggest setting up a trading platform to help the dealers negotiate successfully. Copyright © 2016 Elsevier Ltd. All rights reserved.

Biomedical applications of polymers derived by reversible addition - fragmentation chain-transfer (RAFT).

PubMed

Fairbanks, Benjamin D; Gunatillake, Pathiraja A; Meagher, Laurence

2015-08-30

RAFT- mediated polymerization, providing control over polymer length and architecture as well as facilitating post polymerization modification of end groups, has been applied to virtually every facet of biomedical materials research. RAFT polymers have seen particularly extensive use in drug delivery research. Facile generation of functional and telechelic polymers permits straightforward conjugation to many therapeutic compounds while synthesis of amphiphilic block copolymers via RAFT allows for the generation of self-assembled structures capable of carrying therapeutic payloads. With the large and growing body of literature employing RAFT polymers as drug delivery aids and vehicles, concern over the potential toxicity of RAFT derived polymers has been raised. While literature exploring this complication is relatively limited, the emerging consensus may be summed up in three parts: toxicity of polymers generated with dithiobenzoate RAFT agents is observed at high concentrations but not with polymers generated with trithiocarbonate RAFT agents; even for polymers generated with dithiobenzoate RAFT agents, most reported applications call for concentrations well below the toxicity threshold; and RAFT end-groups may be easily removed via any of a variety of techniques that leave the polymer with no intrinsic toxicity attributable to the mechanism of polymerization. The low toxicity of RAFT-derived polymers and the ability to remove end groups via straightforward and scalable processes make RAFT technology a valuable tool for practically any application in which a polymer of defined molecular weight and architecture is desired. Copyright © 2015. Published by Elsevier B.V.

Agent-based dynamic knowledge representation of Pseudomonas aeruginosa virulence activation in the stressed gut: Towards characterizing host-pathogen interactions in gut-derived sepsis.

PubMed

Seal, John B; Alverdy, John C; Zaborina, Olga; An, Gary

2011-09-19

There is a growing realization that alterations in host-pathogen interactions (HPI) can generate disease phenotypes without pathogen invasion. The gut represents a prime region where such HPI can arise and manifest. Under normal conditions intestinal microbial communities maintain a stable, mutually beneficial ecosystem. However, host stress can lead to changes in environmental conditions that shift the nature of the host-microbe dialogue, resulting in escalation of virulence expression, immune activation and ultimately systemic disease. Effective modulation of these dynamics requires the ability to characterize the complexity of the HPI, and dynamic computational modeling can aid in this task. Agent-based modeling is a computational method that is suited to representing spatially diverse, dynamical systems. We propose that dynamic knowledge representation of gut HPI with agent-based modeling will aid in the investigation of the pathogenesis of gut-derived sepsis. An agent-based model (ABM) of virulence regulation in Pseudomonas aeruginosa was developed by translating bacterial and host cell sense-and-response mechanisms into behavioral rules for computational agents and integrated into a virtual environment representing the host-microbe interface in the gut. The resulting gut milieu ABM (GMABM) was used to: 1) investigate a potential clinically relevant laboratory experimental condition not yet developed--i.e. non-lethal transient segmental intestinal ischemia, 2) examine the sufficiency of existing hypotheses to explain experimental data--i.e. lethality in a model of major surgical insult and stress, and 3) produce behavior to potentially guide future experimental design--i.e. suggested sample points for a potential laboratory model of non-lethal transient intestinal ischemia. Furthermore, hypotheses were generated to explain certain discrepancies between the behaviors of the GMABM and biological experiments, and new investigatory avenues proposed to test those hypotheses. Agent-based modeling can account for the spatio-temporal dynamics of an HPI, and, even when carried out with a relatively high degree of abstraction, can be useful in the investigation of system-level consequences of putative mechanisms operating at the individual agent level. We suggest that an integrated and iterative heuristic relationship between computational modeling and more traditional laboratory and clinical investigations, with a focus on identifying useful and sufficient degrees of abstraction, will enhance the efficiency and translational productivity of biomedical research.

Agent-based dynamic knowledge representation of Pseudomonas aeruginosa virulence activation in the stressed gut: Towards characterizing host-pathogen interactions in gut-derived sepsis

PubMed Central

2011-01-01

Background There is a growing realization that alterations in host-pathogen interactions (HPI) can generate disease phenotypes without pathogen invasion. The gut represents a prime region where such HPI can arise and manifest. Under normal conditions intestinal microbial communities maintain a stable, mutually beneficial ecosystem. However, host stress can lead to changes in environmental conditions that shift the nature of the host-microbe dialogue, resulting in escalation of virulence expression, immune activation and ultimately systemic disease. Effective modulation of these dynamics requires the ability to characterize the complexity of the HPI, and dynamic computational modeling can aid in this task. Agent-based modeling is a computational method that is suited to representing spatially diverse, dynamical systems. We propose that dynamic knowledge representation of gut HPI with agent-based modeling will aid in the investigation of the pathogenesis of gut-derived sepsis. Methodology/Principal Findings An agent-based model (ABM) of virulence regulation in Pseudomonas aeruginosa was developed by translating bacterial and host cell sense-and-response mechanisms into behavioral rules for computational agents and integrated into a virtual environment representing the host-microbe interface in the gut. The resulting gut milieu ABM (GMABM) was used to: 1) investigate a potential clinically relevant laboratory experimental condition not yet developed - i.e. non-lethal transient segmental intestinal ischemia, 2) examine the sufficiency of existing hypotheses to explain experimental data - i.e. lethality in a model of major surgical insult and stress, and 3) produce behavior to potentially guide future experimental design - i.e. suggested sample points for a potential laboratory model of non-lethal transient intestinal ischemia. Furthermore, hypotheses were generated to explain certain discrepancies between the behaviors of the GMABM and biological experiments, and new investigatory avenues proposed to test those hypotheses. Conclusions/Significance Agent-based modeling can account for the spatio-temporal dynamics of an HPI, and, even when carried out with a relatively high degree of abstraction, can be useful in the investigation of system-level consequences of putative mechanisms operating at the individual agent level. We suggest that an integrated and iterative heuristic relationship between computational modeling and more traditional laboratory and clinical investigations, with a focus on identifying useful and sufficient degrees of abstraction, will enhance the efficiency and translational productivity of biomedical research. PMID:21929759

Community and Virtual Community.

ERIC Educational Resources Information Center

Ellis, David; Oldridge, Rachel; Vasconcelos, Ana

2004-01-01

Presents a literature review that covers the following topics related to virtual communities: (1) information and virtual community; (2) virtual communities and communities of practice; (3) virtual communities and virtual arenas, including virtual community networks; and (4) networked virtual communities. (Contains 175 references.) (MES)

Pilot trials with a fluorescent whitening agent of the bis(triazoly) stilbene-disulfonic acid type in golden orfes.

PubMed

Hamburger, B; Maul, W; Patzschke, K; Theidel, H; Wegner, L A

1975-01-01

Golden orfes were examined for uptake, distribution, and elimination of radioactivity administered in the form of a 14C-labelled fluorescent whitening agent (FWA) of the bis(triazolyl)stilbenedisulfonic acid type. Results of these studies are given below. Pilot trials using FWA concentrations of 10 and 100 ppb and a population density of 1 fish per liter show that an equilibrium between uptake and elimination of the FWA develops in the animals within a period of one week; i.e., the incorporated traces of the FWA are not irreversibly bound. The radioactivity is mainly located in the gall bladder and in the intestinal contents, as well as in the liver, throat, and gills. The muscular system (filet) is virtually free from activity. Approximately 1-2% of the FWA amount administered per animal (corresponding to the concentration factors of 7-14) can be temporarily detected in the fish. Radioactivity is eliminated comparatively quickly. Two days following the transfer of the fish into water free from FWA a concentration factor as low as 1 is reached, i.e. from this time the FWA concentration in the animals decreases to less than 10 resp. 100 ppb.

In-silico screening for anti-Zika virus phytochemicals.

PubMed

Byler, Kendall G; Ogungbe, Ifedayo Victor; Setzer, William N

2016-09-01

Zika virus (ZIKV) is an arbovirus that has infected hundreds of thousands of people and is a rapidly expanding epidemic across Central and South America. ZIKV infection has caused serious, albeit rare, complications including Guillain-Barré syndrome and congenital microcephaly. There are currently no vaccines or antiviral agents to treat or prevent ZIKV infection, but there are several ZIKV non-structural proteins that may serve as promising antiviral drug targets. In this work, we have carried out an in-silico search for potential anti-Zika viral agents from natural sources. We have generated ZIKV protease, methyltransferase, and RNA-dependent RNA polymerase using homology modeling techniques and we have carried out molecular docking analyses of our in-house virtual library of phytochemicals with these protein targets as well as with ZIKV helicase. Overall, 2263 plant-derived secondary metabolites have been docked. Of these, 43 compounds that have drug-like properties have exhibited remarkable docking profiles to one or more of the ZIKV protein targets, and several of these are found in relatively common herbal medicines, suggesting promise for natural and inexpensive antiviral therapy for this emerging tropical disease. Copyright © 2016 Elsevier Inc. All rights reserved.

Complex adaptive systems: A new approach for understanding health practices.

PubMed

Gomersall, Tim

2018-06-22

This article explores the potential of complex adaptive systems theory to inform behaviour change research. A complex adaptive system describes a collection of heterogeneous agents interacting within a particular context, adapting to each other's actions. In practical terms, this implies that behaviour change is 1) socially and culturally situated; 2) highly sensitive to small baseline differences in individuals, groups, and intervention components; and 3) determined by multiple components interacting "chaotically". Two approaches to studying complex adaptive systems are briefly reviewed. Agent-based modelling is a computer simulation technique that allows researchers to investigate "what if" questions in a virtual environment. Applied qualitative research techniques, on the other hand, offer a way to examine what happens when an intervention is pursued in real-time, and to identify the sorts of rules and assumptions governing social action. Although these represent very different approaches to complexity, there may be scope for mixing these methods - for example, by grounding models in insights derived from qualitative fieldwork. Finally, I will argue that the concept of complex adaptive systems offers one opportunity to gain a deepened understanding of health-related practices, and to examine the social psychological processes that produce health-promoting or damaging actions.

Enhancement of exposure therapy in participants with specific phobia: A randomized controlled trial comparing yohimbine, propranolol and placebo.

PubMed

Meyerbröker, K; Morina, N; Emmelkamp, P M G

2018-06-01

Recent research indicates that pharmacological agents may enhance psychotherapeutic outcome. Yet, empirical results have not been conclusive with respect to two pharmacological agents, yohimbine hydrochloride (YOH) and propranolol. YOH is suggested to enhance emotional memory by elevating norepinephrine, whereas the β-adrenergic receptor antagonist propranolol might help better cope with feared situations by reducing accompanying bodily sensations. In this controlled trial, fifty-six participants with specific phobia were randomly assigned to either 1) virtual reality exposure therapy (VRET) plus YOH, 2) VRET plus Propranolol, or 3) VRET plus placebo. Participants in all conditions received three sessions of VRET over a period of two weeks. We conducted 2 × 3 repeated measures MANOVA's. Results showed a significant effect for time, with partial eta squared ranging from ηp2 = 0.647 to ηp2 = 0.692, for specific phobia, yet no significant interaction effects were found. No significant differences were found when VRET with YOH or a beta-blocker was compared to VRET with a non-active placebo. Implications for clinical practice and future research are discussed. Copyright © 2018 Elsevier Ltd. All rights reserved.

Laser Speckle Contrast Imaging: theory, instrumentation and applications.

PubMed

Senarathna, Janaka; Rege, Abhishek; Li, Nan; Thakor, Nitish V

2013-01-01

Laser Speckle Contrast Imaging (LSCI) is a wide field of view, non scanning optical technique for observing blood flow. Speckles are produced when coherent light scattered back from biological tissue is diffracted through the limiting aperture of focusing optics. Mobile scatterers cause the speckle pattern to blur; a model can be constructed by inversely relating the degree of blur, termed speckle contrast to the scatterer speed. In tissue, red blood cells are the main source of moving scatterers. Therefore, blood flow acts as a virtual contrast agent, outlining blood vessels. The spatial resolution (~10 μm) and temporal resolution (10 ms to 10 s) of LSCI can be tailored to the application. Restricted by the penetration depth of light, LSCI can only visualize superficial blood flow. Additionally, due to its non scanning nature, LSCI is unable to provide depth resolved images. The simple setup and non-dependence on exogenous contrast agents have made LSCI a popular tool for studying vascular structure and blood flow dynamics. We discuss the theory and practice of LSCI and critically analyze its merit in major areas of application such as retinal imaging, imaging of skin perfusion as well as imaging of neurophysiology.

Virtual Team Governance: Addressing the Governance Mechanisms and Virtual Team Performance

NASA Astrophysics Data System (ADS)

Zhan, Yihong; Bai, Yu; Liu, Ziheng

As technology has improved and collaborative software has been developed, virtual teams with geographically dispersed members spread across diverse physical locations have become increasingly prominent. Virtual team is supported by advancing communication technologies, which makes virtual teams able to largely transcend time and space. Virtual teams have changed the corporate landscape, which are more complex and dynamic than traditional teams since the members of virtual teams are spread on diverse geographical locations and their roles in the virtual team are different. Therefore, how to realize good governance of virtual team and arrive at good virtual team performance is becoming critical and challenging. Good virtual team governance is essential for a high-performance virtual team. This paper explores the performance and the governance mechanism of virtual team. It establishes a model to explain the relationship between the performance and the governance mechanisms in virtual teams. This paper is focusing on managing virtual teams. It aims to find the strategies to help business organizations to improve the performance of their virtual teams and arrive at the objectives of good virtual team management.

Personal Virtual Libraries

ERIC Educational Resources Information Center

Pappas, Marjorie L.

2004-01-01

Virtual libraries are becoming more and more common. Most states have a virtual library. A growing number of public libraries have a virtual presence on the Web. Virtual libraries are a growing addition to school library media collections. The next logical step would be personal virtual libraries. A personal virtual library (PVL) is a collection…

Plasmid-Mediated Antibiotic Resistance and Virulence in Gram-Negatives: the Klebsiella pneumoniae Paradigm.

PubMed

Ramirez, Maria S; Traglia, German M; Lin, David L; Tran, Tung; Tolmasky, Marcelo E

2014-10-01

Plasmids harbor genes coding for specific functions including virulence factors and antibiotic resistance that permit bacteria to survive the hostile environment found in the host and resist treatment. Together with other genetic elements such as integrons and transposons, and using a variety of mechanisms, plasmids participate in the dissemination of these traits, resulting in the virtual elimination of barriers among different kinds of bacteria. In this article we review the current information about the physiology of plasmids and their role in virulence and antibiotic resistance from the Gram-negative opportunistic pathogen Klebsiella pneumoniae. This bacterium has acquired multidrug resistance and is the causative agent of serious community- and hospital-acquired infections. It is also included in the recently defined ESKAPE group of bacteria that cause most U.S. hospital infections.

Plasmid-Mediated Antibiotic Resistance and Virulence in Gram-negatives: the Klebsiella pneumoniae Paradigm.

PubMed

Ramirez, Maria S; Traglia, German M; Lin, David L; Tran, Tung; Tolmasky, Marcelo E

Plasmids harbor genes coding for specific functions including virulence factors and antibiotic resistance that permit bacteria to survive the hostile environment found in the host and resist treatment. Together with other genetic elements such as integrons and transposons, and using a variety of mechanisms, plasmids participate in the dissemination of these traits resulting in the virtual elimination of barriers among different kinds of bacteria. In this article we review the current information about physiology and role in virulence and antibiotic resistance of plasmids from the gram-negative opportunistic pathogen Klebsiella pneumoniae . This bacterium has acquired multidrug resistance and is the causative agent of serious communityand hospital-acquired infections. It is also included in the recently defined ESKAPE group of bacteria that cause most of US hospital infections.

Where to look? Automating attending behaviors of virtual human characters

NASA Technical Reports Server (NTRS)

Chopra Khullar, S.; Badler, N. I.

2001-01-01

This research proposes a computational framework for generating visual attending behavior in an embodied simulated human agent. Such behaviors directly control eye and head motions, and guide other actions such as locomotion and reach. The implementation of these concepts, referred to as the AVA, draws on empirical and qualitative observations known from psychology, human factors and computer vision. Deliberate behaviors, the analogs of scanpaths in visual psychology, compete with involuntary attention capture and lapses into idling or free viewing. Insights provided by implementing this framework are: a defined set of parameters that impact the observable effects of attention, a defined vocabulary of looking behaviors for certain motor and cognitive activity, a defined hierarchy of three levels of eye behavior (endogenous, exogenous and idling) and a proposed method of how these types interact.

Coccidia of gallinaceous meat birds in Brazil.

PubMed

Teixeira, Marcel; Melo, Antônio Diego Brandão; Albuquerque, George Rego; Rocha, Patrícia Tironi; Monteiro, Jomar Patrício

2015-01-01

Coccidiosis is a disease that limits the production and marketing of gallinaceous birds in North America, especially quails, pheasants and chukar partridges. Virtually no research has been conducted in South America on the causative agents of diseases among these birds, including coccidia. The aim of this work was to make first observations on Eimeria spp. in the chukar partridge Alectoris chukar and the grey quail Coturnix coturnix, which are reared for meat in Brazil. Fecal and tissue samples were collected from commercial farms and were examined for oocysts, gross and microscopic lesions or endogenous stages. From this examination, it was found that partridges raised in Brazil did not have any visible infection. However, grey quails presented mild infection and two Eimeria species that had previously been described in other birds were identified.

Exploiting Motion Capture to Enhance Avoidance Behaviour in Games

NASA Astrophysics Data System (ADS)

van Basten, Ben J. H.; Jansen, Sander E. M.; Karamouzas, Ioannis

Realistic simulation of interacting virtual characters is essential in computer games, training and simulation applications. The problem is very challenging since people are accustomed to real-world situations and thus, they can easily detect inconsistencies and artifacts in the simulations. Over the past twenty years several models have been proposed for simulating individuals, groups and crowds of characters. However, little effort has been made to actually understand how humans solve interactions and avoid inter-collisions in real-life. In this paper, we exploit motion capture data to gain more insights into human-human interactions. We propose four measures to describe the collision-avoidance behavior. Based on these measures, we extract simple rules that can be applied on top of existing agent and force based approaches, increasing the realism of the resulting simulations.

Identification of novel antilipogenic agents targeting fatty acid biosynthesis through structure-based virtual screening.

PubMed

Soulère, Laurent; Alix, Pascaline M; Croze, Marine L; Soulage, Christophe O

2018-04-10

An Asinex Gold Platinium chemical library subset of 12 055 compounds was screened employing docking simulations in the active site of the human FAS KS domain. Among them, 13 compounds were further evaluated for their ability to inhibit fatty acid biosynthesis. Four compounds were found to be active in particular ASN05064661 and ASN05374526 with IC50 values of 6.6 and 10.5 μm, respectively. A binding mode study was further conducted with these two compounds structurally related to benzene sulfonamide and aromatic polyamide. This study showed that they fit tightly with the active site with several interactions, notably with the key residues Cys161, His293, and His331. © 2018 John Wiley & Sons A/S.

New NED XML/VOtable Services and Client Interface Applications

NASA Astrophysics Data System (ADS)

Pevunova, O.; Good, J.; Mazzarella, J.; Berriman, G. B.; Madore, B.

2005-12-01

The NASA/IPAC Extragalactic Database (NED) provides data and cross-identifications for over 7 million extragalactic objects fused from thousands of survey catalogs and journal articles. The data cover all frequencies from radio through gamma rays and include positions, redshifts, photometry and spectral energy distributions (SEDs), sizes, and images. NED services have traditionally supplied data in HTML format for connections from Web browsers, and a custom ASCII data structure for connections by remote computer programs written in the C programming language. We describe new services that provide responses from NED queries in XML documents compliant with the international virtual observatory VOtable protocol. The XML/VOtable services support cone searches, all-sky searches based on object attributes (survey names, cross-IDs, redshifts, flux densities), and requests for detailed object data. Initial services have been inserted into the NVO registry, and others will follow soon. The first client application is a Style Sheet specification for rendering NED VOtable query results in Web browsers that support XML. The second prototype application is a Java applet that allows users to compare multiple SEDs. The new XML/VOtable output mode will also simplify the integration of data from NED into visualization and analysis packages, software agents, and other virtual observatory applications. We show an example SED from NED plotted using VOPlot. The NED website is: http://nedwww.ipac.caltech.edu.

Experimentally Validated Novel Inhibitors of Helicobacter pylori Phosphopantetheine Adenylyltransferase Discovered by Virtual High-Throughput Screening

PubMed Central

Cheng, Chao-Sheng; Jia, Kai-Fan; Chen, Ting; Chang, Shun-Ya; Lin, Ming-Shen; Yin, Hsien-Sheng

2013-01-01

Helicobacter pylori is a major etiologic agent associated with the development and maintenance of human gastritis. The goal of this study was to develop novel antibiotics against H. pylori, and we thus targeted H. pylori phosphopantetheine adenylyltransferase (HpPPAT). PPAT catalyzes the penultimate step in coenzyme A biosynthesis. Its inactivation effectively prevents bacterial viability, making it an attractive target for antibacterial drug discovery. We employed virtual high-throughput screening and the HpPPAT crystal structure to identify compounds in the PubChem database that might act as inhibitors of HpPPAT. d-amethopterin is a potential inhibitor for blocking HpPPAT activity and suppressing H. pylori viability. Following treatment with d-amethopterin, H. pylori exhibited morphological characteristics associated with cell death. d-amethopterin is a mixed inhibitor of HpPPAT activity; it simultaneously occupies the HpPPAT 4'-phosphopantetheine- and ATP-binding sites. Its binding affinity is in the micromolar range, implying that it is sufficiently potent to serve as a lead compound in subsequent drug development. Characterization of the d-amethopterin and HpPPAT interaction network in a docked model will allow us to initiate rational drug optimization to improve the inhibitory efficacy of d-amethopterin. We anticipate that novel, potent, and selective HpPPAT inhibitors will emerge for the treatment of H. pylori infection. PMID:24040220

Human Papillomavirus Testing in the Prevention of Cervical Cancer

PubMed Central

Wentzensen, Nicolas; Wacholder, Sholom; Kinney, Walter; Gage, Julia C.; Castle, Philip E.

2011-01-01

Strong evidence now supports the adoption of cervical cancer prevention strategies that explicitly focus on persistent infection with the causal agent, human papillomavirus (HPV). To inform an evidence-based transition to a new public health approach for cervical cancer screening, we summarize the natural history and cervical carcinogenicity of HPV and discuss the promise and uncertainties of currently available screening methods. New HPV infections acquired at any age are virtually always benign, but persistent infections with one of approximately 12 carcinogenic HPV types explain virtually all cases of cervical cancer. In the absence of an overtly persistent HPV infection, the risk of cervical cancer is extremely low. Thus, HPV test results predict the risk of cervical cancer and its precursors (cervical intraepithelial neoplasia grade 3) better and longer than cytological or colposcopic abnormalities, which are signs of HPV infection. The logical and inevitable move to HPV-based cervical cancer prevention strategies will require longer screening intervals that will disrupt current gynecologic and cytology laboratory practices built on frequent screening. A major challenge will be implementing programs that do not overtreat HPV-positive women who do not have obvious long-term persistence of HPV or treatable lesions at the time of initial evaluation. The greatest potential for reduction in cervical cancer rates from HPV screening is in low-resource regions that can implement infrequent rounds of low-cost HPV testing and treatment. PMID:21282563

Ligand- and structure-based in silico studies to identify kinesin spindle protein (KSP) inhibitors as potential anticancer agents.

PubMed

Balakumar, Chandrasekaran; Ramesh, Muthusamy; Tham, Chuin Lean; Khathi, Samukelisiwe Pretty; Kozielski, Frank; Srinivasulu, Cherukupalli; Hampannavar, Girish A; Sayyad, Nisar; Soliman, Mahmoud E; Karpoormath, Rajshekhar

2017-11-29

Kinesin spindle protein (KSP) belongs to the kinesin superfamily of microtubule-based motor proteins. KSP is responsible for the establishment of the bipolar mitotic spindle which mediates cell division. Inhibition of KSP expedites the blockade of the normal cell cycle during mitosis through the generation of monoastral MT arrays that finally cause apoptotic cell death. As KSP is highly expressed in proliferating/cancer cells, it has gained considerable attention as a potential drug target for cancer chemotherapy. Therefore, this study envisaged to design novel KSP inhibitors by employing computational techniques/tools such as pharmacophore modelling, virtual database screening, molecular docking and molecular dynamics. Initially, the pharmacophore models were generated from the data-set of highly potent KSP inhibitors and the pharmacophore models were validated against in house test set ligands. The validated pharmacophore model was then taken for database screening (Maybridge and ChemBridge) to yield hits, which were further filtered for their drug-likeliness. The potential hits retrieved from virtual database screening were docked using CDOCKER to identify the ligand binding landscape. The top-ranked hits obtained from molecular docking were progressed to molecular dynamics (AMBER) simulations to deduce the ligand binding affinity. This study identified MB-41570 and CB-10358 as potential hits and evaluated these experimentally using in vitro KSP ATPase inhibition assays.

Spontaneous mentalizing during an interactive real world task: an fMRI study.

PubMed

Spiers, Hugo J; Maguire, Eleanor A

2006-01-01

There are moments in everyday life when we need to consider the thoughts and intentions of other individuals in order to act in a socially appropriate manner. Most of this mentalizing occurs spontaneously as we go about our business in the complexity of the real world. As such, studying the neural basis of spontaneous mentalizing has been virtually impossible. Here we devised a means to achieve this by employing a unique combination of functional magnetic resonance imaging (fMRI), a detailed and interactive virtual reality simulation of a bustling familiar city, and a retrospective verbal report protocol. We were able to provide insights into the content of spontaneous mentalizing events and identify the brain regions that underlie them. We found increased activity in a number of regions, namely the right posterior superior temporal sulcus, the medial prefrontal cortex and the right temporal pole associated with spontaneous mentalizing. Furthermore, we observed the right posterior superior temporal sulcus to be consistently active during several different subtypes of mentalizing events. By contrast, medial prefrontal cortex seemed to be particularly involved in thinking about agents that were visible in the environment. Our findings show that it is possible to investigate the neural basis of mentalizing in a manner closer to its true context, the real world, opening up intriguing possibilities for making comparisons with those who have mentalizing problems.

Functional Validation of Virtual Screening for Novel Agents with General Anesthetic Action at Ligand-Gated Ion Channels

PubMed Central

Heusser, Stephanie A.; Howard, Rebecca J.; Borghese, Cecilia M.; Cullins, Madeline A.; Broemstrup, Torben; Lee, Ui S.; Lindahl, Erik; Carlsson, Jens

2013-01-01

GABAA receptors play a crucial role in the actions of general anesthetics. The recently published crystal structure of the general anesthetic propofol bound to Gloeobacter violaceus ligand-gated ion channel (GLIC), a bacterial homolog of GABAA receptors, provided an opportunity to explore structure-based ligand discovery for pentameric ligand-gated ion channels (pLGICs). We used molecular docking of 153,000 commercially available compounds to identify molecules that interact with the propofol binding site in GLIC. In total, 29 compounds were selected for functional testing on recombinant GLIC, and 16 of these compounds modulated GLIC function. Active compounds were also tested on recombinant GABAA receptors, and point mutations around the presumed binding pocket were introduced into GLIC and GABAA receptors to test for binding specificity. The potency of active compounds was only weakly correlated with properties such as lipophilicity or molecular weight. One compound was found to mimic the actions of propofol on GLIC and GABAA, and to be sensitive to mutations that reduce the action of propofol in both receptors. Mutant receptors also provided insight about the position of the binding sites and the relevance of the receptor’s conformation for anesthetic actions. Overall, the findings support the feasibility of the use of virtual screening to discover allosteric modulators of pLGICs, and suggest that GLIC is a valid model system to identify novel GABAA receptor ligands. PMID:23950219