Digitizing mass spectrometry data to explore the chemical diversity and distribution of marine cyanobacteria and algae.

Natural product screening programs have uncovered molecules from diverse natural sources with various biological activities and unique structures. However, much is yet underexplored and additional information is hidden in these exceptional collections. We applied untargeted mass spectrometry approaches to capture the chemical space and dispersal patterns of metabolites from an in-house library of marine cyanobacterial and algal collections. Remarkably, 86% of the metabolomics signals detected were not found in other available datasets of similar nature, supporting the hypothesis that marine cyanobacteria and algae possess distinctive metabolomes. The data were plotted onto a world map representing eight major sampling sites, and revealed potential geographic locations with high chemical diversity. We demonstrate the use of these inventories as a tool to explore the diversity and distribution of natural products. Finally, we utilized this tool to guide the isolation of a new cyclic lipopeptide, yuvalamide A, from a marine cyanobacterium

Analysis domain model for shared virtual environments

The field of shared virtual environments, which also encompasses online games and social 3D environments, has a system landscape consisting of multiple solutions that share great functional overlap. However, there is little system interoperability between the different solutions. A shared virtual environment has an associated problem domain that is highly complex raising difficult challenges to the development process, starting with the architectural design of the underlying system. This paper has two main contributions. The first contribution is a broad domain analysis of shared virtual environments, which enables developers to have a better understanding of the whole rather than the part(s). The second contribution is a reference domain model for discussing and describing solutions - the Analysis Domain Model

Molecular and Microbial Microenvironments in Chronically Diseased Lungs Associated with Cystic Fibrosis.

To visualize the personalized distributions of pathogens and chemical environments, including microbial metabolites, pharmaceuticals, and their metabolic products, within and between human lungs afflicted with cystic fibrosis (CF), we generated three-dimensional (3D) microbiome and metabolome maps of six explanted lungs from three cystic fibrosis patients. These 3D spatial maps revealed that the chemical environments differ between patients and within the lungs of each patient. Although the microbial ecosystems of the patients were defined by the dominant pathogen, their chemical diversity was not. Additionally, the chemical diversity between locales in the lungs of the same individual sometimes exceeded interindividual variation. Thus, the chemistry and microbiome of the explanted lungs appear to be not only personalized but also regiospecific. Previously undescribed analogs of microbial quinolones and antibiotic metabolites were also detected. Furthermore, mapping the chemical and microbial distributions allowed visualization of microbial community interactions, such as increased production of quorum sensing quinolones in locations where Pseudomonas was in contact with Staphylococcus and Granulicatella, consistent with in vitro observations of bacteria isolated from these patients. Visualization of microbe-metabolite associations within a host organ in early-stage CF disease in animal models will help elucidate the complex interplay between the presence of a given microbial structure, antibiotics, metabolism of antibiotics, microbial virulence factors, and host responses.IMPORTANCE Microbial infections are now recognized to be polymicrobial and personalized in nature. Comprehensive analysis and understanding of the factors underlying the polymicrobial and personalized nature of infections remain limited, especially in the context of the host. By visualizing microbiomes and metabolomes of diseased human lungs, we reveal how different the chemical environments are between hosts that are dominated by the same pathogen and how community interactions shape the chemical environment or vice versa. We highlight that three-dimensional organ mapping methods represent hypothesis-building tools that allow us to design mechanistic studies aimed at addressing microbial responses to other microbes, the host, and pharmaceutical drugs

The live social semantics application: A platform for integrating face-to-face presence with on-line social networking

We describe a novel application that integrates real-world data on the face-to-face proximity of individuals with their identities and contacts in on-line social networks. This application was successfully deployed at two conference gatherings, ESWC09 and HT2009, and actively used by hundreds of people. Personal profiles of the participants were automatically generated using several Web 2.0 systems and semantic data sources, and integrated in real-time with face-to-face proximity relations detected using RFID-enabled badges. The integration of these heterogeneous data sources enables various services that enhance the experience of conference attendees, allowing them to explore their social neighbourhood and to connect with other participants. This paper describes the architecture of the application, the services we provided, and the results we achieved in these deployments

The role of graphics super-workstations in a supercomputing environment

A new class of very powerful workstations has recently become available which integrate near supercomputer computational performance with very powerful and high quality graphics capability. These graphics super-workstations are expected to play an increasingly important role in providing an enhanced environment for supercomputer users. Their potential uses include: off-loading the supercomputer (by serving as stand-alone processors, by post-processing of the output of supercomputer calculations, and by distributed or shared processing), scientific visualization (understanding of results, communication of results), and by real time interaction with the supercomputer (to steer an iterative computation, to abort a bad run, or to explore and develop new algorithms)

Usage of Network Simulators in Machine-Learning-Assisted 5G/6G Networks

Without any doubt, Machine Learning (ML) will be an important driver of future communications due to its foreseen performance when applied to complex problems. However, the application of ML to networking systems raises concerns among network operators and other stakeholders, especially regarding trustworthiness and reliability. In this paper, we devise the role of network simulators for bridging the gap between ML and communications systems. In particular, we present an architectural integration of simulators in ML-aware networks for training, testing, and validating ML models before being applied to the operative network. Moreover, we provide insights on the main challenges resulting from this integration, and then give hints discussing how they can be overcome. Finally, we illustrate the integration of network simulators into ML-assisted communications through a proof-of-concept testbed implementation of a residential Wi-Fi network

Providing enhanced social interaction services for industry exhibitors at large medical conferences

Large medical conferences offer opportunities for participants to find industry exhibitors that offer products and services relevant to their professional interests. Companies often invest significant effort in promotions that encourage participants to spend time at their stand (e.g. providing free gifts, leaflets, running competitions) and register some contact details. Attendees will use the conference to find others who also share similar professional interests, as well as keep up to date with developments on products such has pharmaceuticals and medical equipment. From both perspectives, a number of improvements can be made to enhance the overall experience by using existing active RFID technology: Vendors would be able to more closely monitor the success of their promotions with statistics on the stand's visitors, as well as find more potential customers by using real-time visualizations; Participants would be able to log their social interactions, keeping an electronic history of the people they have met. The SocioPatterns project and Live Social Semantics experiments have recently demonstrated a scalable and robust infrastructure that would support these kinds of improvements. In this paper, we propose an infrastructure that provides enhanced social interaction services for vendors and participants by using small active RFID badges worn by attendees and attached to fixed location

Dynamic 3D Network Data Visualization

Monitoring network traffic has always been an arduous and tedious task because of the complexity and sheer volume of network data that is being consistently generated. In addition, network growth and new technologies are rapidly increasing these levels of complexity and volume. An effective technique in understanding and managing a large dataset, such as network traffic, is data visualization. There are several tools that attempt to turn network traffic into visual stimuli. Many of these do so in 2D space and those that are 3D lack the ability to display network patterns effectively. Existing 3D network visualization tools lack user interaction, dynamic generation, and intuitiveness. This project proposes a user-friendly 3D network visualization application that creates both dynamic and interactive visuals. This application was built using the Bablyon.js graphics framework and uses anonymized data collected from a campus network