Crystal engineering using functionalized adamantane

We performed a first-principles investigation on the structural, electronic and optical properties of crystals made of chemically functionalized adamantane molecules. Several molecular building blocks, formed by boron and nitrogen substitutional functionalizations, were considered to build zinc blende and wurtzite crystals, and the resulting structures presented large bulk moduli and cohesive energies, wide and direct bandgaps, and low dielectric constants (low-kappa materials). Those properties provide stability for such structures up to room temperature, superior to those of typical molecular crystals. This indicates a possible road map for crystal engineering using functionalized diamondoids, with potential applications ranging from space filling between conducting wires in nanodevices to nano-electromechanical systems.

The web of connections between tourism companies: Structure and dynamics

Tourism destination networks are amongst the most complex dynamical systems, involving a myriad of human-made and natural resources. In this work we report a complex network-based systematic analysis of the Elba (Italy) tourism destination network, including the characterization of its structure in terms of several traditional measurements, the investigation of its modularity, as well as its comprehensive study in terms of the recently reported superedges approach. In particular, structural (the number of paths of distinct lengths between pairs of nodes, as well as the number of reachable companies) and dynamical features (transition probabilities and the inward/outward activations and accessibilities) are measured and analyzed, leading to a series of important findings related to the interactions between tourism companies. Among the several reported results, it is shown that the type and size of the Companies influence strongly their respective activations and accessibilities, while their geographical position does not seem to matter. It is also shown that the Elba tourism network is largely fragmented and heterogeneous, so that it could benefit from increased integration. (C) 2009 Elsevier B.V. All rights reserved.

Scheduling Grid Applications with Software Requirements

The aim of task scheduling is to minimize the makespan of applications, exploiting the best possible way to use shared resources. Applications have requirements which call for customized environments for their execution. One way to provide such environments is to use virtualization on demand. This paper presents two schedulers based on integer linear programming which schedule virtual machines (VMs) in grid resources and tasks on these VMs. The schedulers differ from previous work by the joint scheduling of tasks and VMs and by considering the impact of the available bandwidth on the quality of the schedule. Experiments show the efficacy of the schedulers in scenarios with different network configurations.

Performance results of running parallel applications on the InteGrade

The InteGrade middleware intends to exploit the idle time of computing resources in computer laboratories. In this work we investigate the performance of running parallel applications with communication among processors on the InteGrade grid. As costly communication on a grid can be prohibitive, we explore the so-called systolic or wavefront paradigm to design the parallel algorithms in which no global communication is used. To evaluate the InteGrade middleware we considered three parallel algorithms that solve the matrix chain product problem, the 0-1 Knapsack Problem, and the local sequence alignment problem, respectively. We show that these three applications running under the InteGrade middleware and MPI take slightly more time than the same applications running on a cluster with only LAM-MPI support. The results can be considered promising and the time difference between the two is not substantial. The overhead of the InteGrade middleware is acceptable, in view of the benefits obtained to facilitate the use of grid computing by the user. These benefits include job submission, checkpointing, security, job migration, etc. Copyright (C) 2009 John Wiley & Sons, Ltd.

Preparation and characterization of ordered intermetallic platinum phases for electrocatalytic applications

Ordered intermetallic phases of Pt with several transition metals have been prepared and their electrocatalytic properties studied. In light of these tests it is proposed that these catalysts could be used as electrodes in fuel cells, as they combine an excellent capacity to adsorb organic fuels at the Pt sites with low susceptibility to being poisoned by intermediates and reaction products at the transition-metal sites. An experimental procedure used to obtain the four intermetallic phases Pt-M (M = Mn, Pb, Sb and Sn) is described. The phases thus produced were characterized by X-ray diffraction, scanning electron microscopy with surface analysis by energy-dispersive X-ray spectrometry, scanning tunneling microscopy and X-ray photoelectron spectroscopy. The data thus obtained support the conclusion that the method described here is highly effective for the preparation of Pt-M phases featuring a range of structural and electronic modifications that will allow a useful relation to be established between their physicochemical properties and predicted electrocatalytic activity. (C) 2007 Elsevier Ltd. All rights reserved.

Extraction of cellulose whiskers from cassava bagasse and their applications as reinforcing agent in natural rubber

In this work cassava bagasse, a by-product of cassava starch industrialization was investigated as a new raw material to extract cellulose whiskers. This by-product is basically constituted of cellulose fibers (17.5 wt%) and residual starch (82 wt%). Therefore, this residue contains both natural fibers and a considerable quantity of starch and this composition suggests the possibility of using cassava bagasse to prepare both starch nanocrystals and cellulose whiskers. In this way, the preparation of cellulose whiskers was investigated employing conditions of sulfuric acid hydrolysis treatment found in the literature. The ensuing materials were characterized by transmission electron microscopy (TEM) and X-ray diffraction experiments. The results showed that high aspect ratio cellulose whiskers were successfully obtained. The reinforcing capability of cellulose whiskers extracted from cassava bagasse was investigated using natural rubber as matrix. High mechanical properties were observed from dynamic mechanical analysis. (C) 2010 Elsevier B.V. All rights reserved.

Ensidesapplikationers kodkvalitet och förvaltningsbarhet : En jämförelse av förvaltningsbarhet hos single-page applications utvecklade med AngularJS och React

Single-page applications have historically been subject to strong market forces driving fast development and deployment in lieu of quality control and changeable code, which are important factors for maintainability. In this report we develop two functionally equivalent applications using AngularJS and React and compare their maintainability as defined by ISO/IEC 9126. AngularJS and React represent two distinct approaches to web development, with AngularJS being a general framework providing rich base functionality and React a small specialized library for efficient view rendering. The quality comparison was accomplished by calculating Maintainability Index for each application. Version control analysis was used to determine quality indicators during development and subsequent maintenance where new functionality was added in two steps.   The results show no major differences in maintainability in the initial applications. As more functionality is added the Maintainability Index decreases faster in the AngularJS application, indicating a steeper increase in complexity compared to the React application. Source code analysis reveals that changes in data flow requires significantly larger modifications of the AngularJS application due to its inherent architecture for data flow. We conclude that frameworks are useful when they facilitate development of known requirements but less so when applications and systems grow in size.

Transparent Fault Tolerance for Web Services based Architectures

Service-based architectures enable the development of new classes of Grid and distributed applications. One of the main capabilities provided by such systems is the dynamic and flexible integration of services, according to which services are allowed to be a part of more than one distributed system and simultaneously serve different applications. This increased flexibility in system composition makes it difficult to address classical distributed system issues such as fault-tolerance. While it is relatively easy to make an individual service fault-tolerant, improving fault-tolerance of services collaborating in multiple application scenarios is a challenging task. In this paper, we look at the issue of developing fault-tolerant service-based distributed systems, and propose an infrastructure to implement fault tolerance capabilities transparent to services.

PrIMe: A Methodology for Developing Provenance-Aware Applications

Provenance refers to the past processes that brought about a given (version of an) object, item or entity. By knowing the provenance of data, users can often better understand, trust, reproduce, and validate it. A provenance-aware application has the functionality to answer questions regarding the provenance of the data it produces, by using documentation of past processes. PrIMe is a software engineering technique for adapting application designs to enable them to interact with a provenance middleware layer, thereby making them provenance-aware. In this article, we specify the steps involved in applying PrIMe, analyse its effectiveness, and illustrate its use with two case studies, in bioinformatics and medicine.

Web 2.0, dilemmas 1.0: essay on an evolving market

Today the Internet is entwined into our everyday society. From the beginning days in 1980 to today, the Internet has been evolving. The creator of the World Wide Web, Tim Berners-Lee, envisioned that the Internet would be a system with everything connected to everything. The web today is changing with new applications arriving from outside the previous channels of the megalithic software companies. Thousands of individual developers are creating micro-applications to enhance the earlier framework of the web. This revolution has been coined "Web 2.0". Many observers today are skeptical that Web 2.0 is really a revolution at all, but maybe is just a continuation of Berners-Lee's original concept. This paper examines, based on a critical literature review, the discussions taking place regarding Web 2.0.

Transparent access to relational, autonomous and distributed databases using semantic web and service oriented technologies

With the constant grow of enterprises and the need to share information across departments and business areas becomes more critical, companies are turning to integration to provide a method for interconnecting heterogeneous, distributed and autonomous systems. Whether the sales application needs to interface with the inventory application, the procurement application connect to an auction site, it seems that any application can be made better by integrating it with other applications. Integration between applications can face several troublesome due the fact that applications may not have been designed and implemented having integration in mind. Regarding to integration issues, two tier software systems, composed by the database tier and by the “front-end” tier (interface), have shown some limitations. As a solution to overcome the two tier limitations, three tier systems were proposed in the literature. Thus, by adding a middle-tier (referred as middleware) between the database tier and the “front-end” tier (or simply referred application), three main benefits emerge. The first benefit is related with the fact that the division of software systems in three tiers enables increased integration capabilities with other systems. The second benefit is related with the fact that any modifications to the individual tiers may be carried out without necessarily affecting the other tiers and integrated systems and the third benefit, consequence of the others, is related with less maintenance tasks in software system and in all integrated systems. Concerning software development in three tiers, this dissertation focus on two emerging technologies, Semantic Web and Service Oriented Architecture, combined with middleware. These two technologies blended with middleware, which resulted in the development of Swoat framework (Service and Semantic Web Oriented ArchiTecture), lead to the following four synergic advantages: (1) allow the creation of loosely-coupled systems, decoupling the database from “front-end” tiers, therefore reducing maintenance; (2) the database schema is transparent to “front-end” tiers which are aware of the information model (or domain model) that describes what data is accessible; (3) integration with other heterogeneous systems is allowed by providing services provided by the middleware; (4) the service request by the “frontend” tier focus on ‘what’ data and not on ‘where’ and ‘how’ related issues, reducing this way the application development time by developers.

Uma perspectiva de extensão do modelo de aceitação de tecnologia para explicar o uso de linguagens de desenvolvimento WEB: pesquisa com desenvolvedores Pyton e Java

The spread of the Web boosted the dissemination of Information Systems (IS) based on the Web. In order to support the implementation of these systems, several technologies came up or evolved with this purpose, namely the programming languages. The Technology Acceptance Model TAM (Davis, 1986) was conceived aiming to evaluate the acceptance/use of information technologies by their users. A lot of studies and many applications have used the TAM, however, in the literature it was not found a mention of the use of such model related to the use of programming languages. This study aims to investigate which factors influence the use of programming languages on the development of Web systems by their developers, applying an extension of the TAM, proposed in this work. To do so, a research was done with Web developers in two Yahoo groups: java-br and python-brasil, where 26 Java questionnaires and 39 Python questionnaires were fully answered. The questionnaire had general questions and questions which measured intrinsic and extrinsic factors of the programming languages, the perceived usefulness, the perceived ease of use, the attitude toward the using and the programming language use. Most of the respondents were men, graduate, between 20 and 30 years old, working in the southeast and south regions. The research was descriptive in the sense of its objectives. Statistical tools, descriptive statistics, main components and linear regression analysis were used for the data analysis. The foremost research results were: Java and Python have machine independence, extensibility, generality and reliability; Java and Python are more used by corporations and international organizations than supported by the government or educational institutions; there are more Java programmers than Python programmers; the perceived usefulness is influenced by the perceived ease of use; the generality and the extensibility are intrinsic factors of programming languages which influence the perceived ease of use; the perceived ease of use influences the attitude toward the using of the programming language