Enabling computationally intensive bioinformatics applications on the Grid platform

Bioinformatics is a recent and emerging discipline which aims at studying biological problems through computational approaches. Most branches of bioinformatics such as Genomics, Proteomics and Molecular Dynamics are particularly computationally intensive, requiring huge amount of computational resources for running algorithms of everincreasing complexity over data of everincreasing size. In the search for computational power, the EGEE Grid platform, world's largest community of interconnected clusters load balanced as a whole, seems particularly promising and is considered the new hope for satisfying the everincreasing computational requirements of bioinformatics, as well as physics and other computational sciences. The EGEE platform, however, is rather new and not yet free of problems. In addition, specific requirements of bioinformatics need to be addressed in order to use this new platform effectively for bioinformatics tasks. In my three years' Ph.D. work I addressed numerous aspects of this Grid platform, with particular attention to those needed by the bioinformatics domain. I hence created three major frameworks, Vnas, GridDBManager and SETest, plus an additional smaller standalone solution, to enhance the support for bioinformatics applications in the Grid environment and to reduce the effort needed to create new applications, additionally addressing numerous existing Grid issues and performing a series of optimizations. The Vnas framework is an advanced system for the submission and monitoring of Grid jobs that provides an abstraction with reliability over the Grid platform. In addition, Vnas greatly simplifies the development of new Grid applications by providing a callback system to simplify the creation of arbitrarily complex multistage computational pipelines and provides an abstracted virtual sandbox which bypasses Grid limitations. Vnas also reduces the usage of Grid bandwidth and storage resources by transparently detecting equality of virtual sandbox files based on content, across different submissions, even when performed by different users. BGBlast, evolution of the earlier project GridBlast, now provides a Grid Database Manager (GridDBManager) component for managing and automatically updating biological flatfile databases in the Grid environment. GridDBManager sports very novel features such as an adaptive replication algorithm that constantly optimizes the number of replicas of the managed databases in the Grid environment, balancing between response times (performances) and storage costs according to a programmed cost formula. GridDBManager also provides a very optimized automated management for older versions of the databases based on reverse delta files, which reduces the storage costs required to keep such older versions available in the Grid environment by two orders of magnitude. The SETest framework provides a way to the user to test and regressiontest Python applications completely scattered with side effects (this is a common case with Grid computational pipelines), which could not easily be tested using the more standard methods of unit testing or test cases. The technique is based on a new concept of datasets containing invocations and results of filtered calls. The framework hence significantly accelerates the development of new applications and computational pipelines for the Grid environment, and the efforts required for maintenance. An analysis of the impact of these solutions will be provided in this thesis. This Ph.D. work originated various publications in journals and conference proceedings as reported in the Appendix. Also, I orally presented my work at numerous international conferences related to Grid and bioinformatics.

Sviluppo di Applicazioni Mobile Platform-independent: il Linguaggio e Piattaforma Mobl

L’obbiettivo di questa tesi consiste in un analisi dello sviluppo di applicazioni mobile, rivolgendo particolare attenzione riguardo a quelle soluzioni che consentono di astrarre dall’ambiente su cui effettivamente queste verranno eseguite, per poi prendere in esame la piattaforma e il linguaggio Mobl. Sarà quindi necessario effettuare una panoramica sullo stato attuale del mercato, introducendo i diversi sistemi presenti e le metodologie proposte per la costruzione del software. Da questo studio sarà possibile ricavare i pregi e i difetti di una programmazione nativa. Volendo, in seguito, ricercare un processo di produzione software che favorisca un’indipendenza dai sistemi precedentemente descritti, verranno illustrati alcuni tra i più importanti Mobile Frameworks e tra questi si prenderà in esame Mobl, che si contraddistingue grazie a caratteristiche peculiari.

Neurons derived from P19 embryonic carcinoma cells as a platform for biosensor applications - optimisation and characterisation

P19 is a mouse-derived embryonal carcinoma cell line capable of differentiation toward ectodermal, mesodermal and endodermal lineages and could thus be differentiated into neurons. Different culture conditions were tested to optimise and increase the efficiency of neuronal differentiation since the population of P19-derived neurons was reported to be heterogeneous with respect to the morphology and neurotransmitters they synthesise. P19-derived neurons were cultured on microelectrode arrays as cell aggregates and as dissociated cells. Improved neuronal maturation was shown by the presence of microtubule associated protein 2, neurofilament and synaptophysin formation when initiation of neuronal differentiation was prolonged. High initial cell density cultures and coating of surfaces with polyethylenimine-laminin further improved neuronal maturation of differentiated P19 cells. Increased spontaneous activities of the P19-derived neurons were correspondingly recorded. Two to three hours recordings were performed between 17 and 25 days when extracellular signals were stabilised. It was found that P19-derived neurons developed network properties as partially synchronised network activities. P19-derived neurons appeared to give inhomogenous response to the 2 major neurotransmitters, -aminobutyric acid (GABA) and glutamate. The P19-derived neuronal networks obtained from optimised protocol in this thesis were predominantly GABAergic. The reproducible long term extracellular recordings performed showed that neurons derived from P19 embryonal carcinoma cells could be applied as a model for cell based biosensor in corporation with microelectrode arrays.

Design of virtual aircraft multipurpose platform

This report elaborates on the master degree thesis developed by the candidate within the company Superjet International. The performed activity focuses on the study and design of VAMP (Virtual Aircraft Multipurpose Platform). VAMP is a new interactive platform, not necessarily limited to the Aeronautical sector, aimed to analyse technical failures, identify risk and recommend the most appropriate corrective actions for maintenance cost reduction, taking into account reliability, availability, maintainability and safety.

An Input-Process-Output Approach to Interorganizational Teams: The Influence of Work Group Diversity, Trust and Shared Leadership on Communication Network and Team Outputs.

The market’s challenges bring firms to collaborate with other organizations in order to create Joint Ventures, Alliances and Consortia that are defined as “Interorganizational Networks” (IONs) (Provan, Fish and Sydow; 2007). Some of these IONs are managed through a shared partecipant governance (Provan and Kenis, 2008): a team composed by entrepreneurs and/or directors of each firm of an ION. The research is focused on these kind of management teams and it is based on an input-process-output model: some input variables (work group’s diversity, intra-team's friendship network density) have a direct influence on the process (team identification, shared leadership, interorganizational trust, team trust and intra-team's communication network density), which influence some team outputs, individual innovation behaviors and team effectiveness (team performance, work group satisfaction and ION affective commitment). Data was collected on a sample of 101 entrepreneurs grouped in 28 ION’s government teams and the research hypotheses are tested trough the path analysis and the multilevel models. As expected trust in team and shared leadership are positively and directly related to team effectiveness while team identification and interorganizational trust are indirectly related to the team outputs. The friendship network density among the team’s members has got positive effects on the trust in team and on the communication network density, and also, through the communication network density it improves the level of the teammates ION affective commitment. The shared leadership and its effects on the team effectiveness are fostered from higher level of team identification and weakened from higher level of work group diversity, specifically gender diversity. Finally, the communication network density and shared leadership at the individual level are related to the frequency of individual innovative behaviors. The dissertation’s results give a wider and more precise indication about the management of interfirm network through “shared” form of governance.

Uso di strumenti web per la reingegnerizzazione platform independent di applicazioni multipiattaforma.

La tesi parla del processo di modernizzazione di un software aziendale verso tecnologie web. Il trattato prosegue poi con lo studio di automatizzazione del processo, tramite strumenti di descrizione grammatiche (e DSL) come Xtext.

"Offshore tower or platform foundations: numerical analysis of a laterally loaded single pile or pile group in soft clay and analysis of actions on a jacket structure"

Laterally loaded piles are a typical situation for a large number of cases in which deep foundations are used. Dissertation herein reported, is a focus upon the numerical simulation of laterally loaded piles. In the first chapter the best model settings are largely discussed, so a clear idea about the effects of interface adoption, model dimension, refinement cluster and mesh coarseness is reached. At a second stage, there are three distinct parametric analyses, in which the model response sensibility is studied for variation of interface reduction factor, Eps50 and tensile cut-off. In addition, the adoption of an advanced soil model is analysed (NGI-ADP). This was done in order to use the complex behaviour (different undrained shear strengths are involved) that governs the resisting process of clay under short time static loads. Once set a definitive model, a series of analyses has been carried out with the objective of defining the resistance-deflection (P-y) curves for Plaxis3D (2013) data. Major results of a large number of comparisons made with curves from API (America Petroleum Institute) recommendation are that the empirical curves have almost the same ultimate resistance but a bigger initial stiffness. In the second part of the thesis a simplified structural preliminary design of a jacket structure has been carried out to evaluate the environmental forces that act on it and on its piles foundation. Finally, pile lateral response is studied using the empirical curves.

Silk Fibroin: a biopolymer platform for innovative pharmaceutical formulation and biomedical devices.

The protein silk fibroin (SF) from the silkworm Bombyx mori is a FDA-approved biomaterial used over centuries as sutures wire. Importantly, several evidences highlighted the potential of silk biomaterials obtained by using so-called regenerated silk fibroin (RSF) in biomedicine, tissue engineering and drug delivery. Indeed, by a water-based protocol, it is possible to obtain protein water-solution, by extraction and purification of fibroin from silk fibres. Notably, RSF can be processed in a variety of biomaterials forms used in biomedical and technological fields, displaying remarkable properties such as biocompatibility, controllable biodegradability, optical transparency, mechanical robustness. Moreover, RSF biomaterials can be doped and/or chemical functionalized with drugs, optically active molecules, growth factors and/or chemicals In this view, activities of my PhD research program were focused to standardize the process of extraction and purification of protein to get the best physical and chemical characteristics. The analysis of the chemo-physical properties of the fibroin involved both the RSF water-solution and the protein processed in film. Chemo-physical properties have been studied through: vibrational (FT-IR and Raman-FT) and optical (absorption and emission UV-VIS) spectroscopy, nuclear magnetic resonance (1H and 13C NMR), thermal analysis and thermo-gravimetric scan (DSC and TGA). In the last year of my PhD, activities were focused to study and define innovative methods of functionalization of the silk fibroin solution and films. Indeed, research program was the application of different methods of manufacturing approaches of the films of fibroin without the use of harsh treatments and organic solvents. New approaches to doping and chemical functionalization of the silk fibroin were studied. Two different methods have been identified: 1) biodoping that consists in the doping of fibroin with optically active molecules through the addition of fluorescent molecules in the standard diet used for the breeding of silkworms; 2) chemical functionalization via silylation.

Sviluppo cross-platform di applicazioni mobile: analisi dello stato dell'arte e sperimentazioni in titanium

Panoramica sullo stato dell’arte degli approcci di sviluppo di mobile app alternativi agli approcci nativi, e approfondimento ulteriore dell’analisi. Valutazione concreta del framework Titanium, il più interessante per architettura e offerta di componenti di UI nativi, realizzata mediante lo sviluppo di un'app e facendo quindi il confronto con lo sviluppo nativo.

Development and implementation of a S/W platform to automatically receive and share satellite data

Relazione del lavoro di creazione e implementazione della piattaforma software che sviluppa l’archivio del progetto SATNET. I satelliti universitari hanno un tempo di vista della propria Stazione di Terra di pochi minuti al giorno: SATNET risponde all’esigenza di comunicare con un satellite universitario in orbita bassa per più dei pochi minuti al giorno che una singola Stazione di Terra permette. Questo avviene grazie a una rete di Stazioni di Terra Satellitari collegate da specifiche missioni comuni che mettono in condivisione dati ricevuti da uno o più satelliti, aumentando il rendimento dati/giorno di questi e permettendo una migliore fruizione delle Stazioni di Terra stesse. Il network sfrutta Internet come canale di connessione, e prevede la presenza di un archivio nel quale memorizzare i dati ricevuti, per poi renderne possibile la consultazione e il recupero. Oggetto di questo lavoro di tesi è stato lo sviluppo e l’implementazione di tale archivio: utilizzando un sito web dinamico, il software risponde a tutte le richieste evidenziate nel paragrafo precedente, permettendo a utenti autenticati di inserire dati e ad altri di poterne avere accesso. Il software è completo e funzionante ma non finito, in quanto manca la formulazione di alcune richieste; per esempio non è stato specificato il tipo di informazioni che è possibile caricare in upload, né il tipo di campi richiesti nel modulo di registrazione dei vari utenti. In questi casi sono stati inseriti campi generici, lasciando all’utente la possibilità di modificarli in seguito. Il software è stato dunque concepito come facilmente personalizzabile e modificabile anche da utenti inesperti grazie alla sola lettura della tesi, che rappresenta quindi una vera e propria guida per l’utilizzo, l’installazione, la personalizzazione e la manutenzione della piattaforma software. La tesi evidenzia gli obiettivi e le richieste, mostrando l’aspetto del sito web e le sue funzionalità, e spiega passo per passo il procedimento per la modifica dell’aspetto delle pagine e di alcuni parametri di configurazione. Inoltre, qualora siano necessarie modifiche sostanziali al progetto, introduce i vari linguaggi di programmazione necessari allo sviluppo e alla programmazione web e aiuta l’utente nella comprensione della struttura del software. Si conclude con alcuni suggerimenti su eventuali modifiche, attuabili solo a seguito di un lavoro di definizione degli obiettivi e delle specifiche richieste. In futuro ci si aspetta l’implementazione e la personalizzazione del software, nonché l’integrazione dell’archivio all’interno del progetto SATNET, con l’obiettivo di migliorare e favorire la diffusione e la condivisione di progetti comuni tra diverse Università Europee ed Extra-Europee.

Integration of a simulation platform for electrical mobility within the arrowhead interoperability framework

This dissertation document deals with the development of a project, over a span of more than two years, carried out within the scope of the Arrowhead Framework and which bears my personal contribution in several sections. The final part of the project took place during a visiting period at the university of Luleå. The Arrowhead Project is an European project, belonging to the ARTEMIS association, which aims to foster new technologies and unify the access to them into an unique framework. Such technologies include the Internet of Things phe- nomenon, Smart Houses, Electrical Mobility and renewable energy production. An application is considered compliant with such framework when it respects the Service Oriented Architecture paradigm and it is able to interact with a set of defined components called Arrowhead Core Services. My personal contribution to this project is given by the development of several user-friendly API, published in the project's main repository, and the integration of a legacy system within the Arrowhead Framework. The implementation of this legacy system was initiated by me in 2012 and, after many improvements carried out by several developers in UniBO, it has been again significantly modified this year in order to achieve compatibility. The system consists of a simulation of an urban scenario where a certain amount of electrical vehicles are traveling along their specified routes. The vehicles are con-suming their battery and, thus, need to recharge at the charging stations. The electrical vehicles need to use a reservation mechanism to be able to recharge and avoid waiting lines, due to the long recharge process. The integration with the above mentioned framework consists in the publication of the services that the system provides to the end users through the instantiation of several Arrowhead Service Producers, together with a demo Arrowhead- compliant client application able to consume such services.

Sviluppo di applicazioni mobile platform-independent: Un caso di studio basato sul framework sencha

Negli ultimi anni si è imposto il concetto di Ubiquitous Computing, ovvero la possibilità di accedere al web e di usare applicazioni per divertimento o lavoro in qualsiasi momento e in qualsiasi luogo. Questo fenomeno sta cambiando notevolmente le abitudini delle persone e ciò è testimoniato anche dal fatto che il mercato mobile è in forte ascesa: da fine 2014 sono 45 milioni gli smartphone e 12 milioni i tablet in circolazione in Italia. Sembra quasi impossibile, dunque, rinunciare al mobile, soprattutto per le aziende: il nuovo modo di comunicare ha reso necessaria l’introduzione del Mobile Marketing e per raggiungere i propri clienti ora uno degli strumenti più efficaci e diretti sono le applicazioni. Esse si definiscono native se si pongono come traguardo un determinato smartphone e possono funzionare solo per quel sistema operativo. Infatti un’app costruita, per esempio, per Android non può funzionare su dispositivi Apple o Windows Phone a meno che non si ricorra al processo di porting. Ultimamente però è richiesto un numero sempre maggiore di app per piattaforma e i dispositivi presenti attualmente sul mercato presentano differenze tra le CPU, le interfacce (Application Programming Interface), i sistemi operativi, l’hardware, etc. Nasce quindi la necessità di creare applicazioni che possano funzionare su più sistemi operativi, ovvero le applicazioni platform-independent. Per facilitare e supportare questo genere di lavoro sono stati definiti nuovi ambienti di sviluppo tra i quali Sencha Touch e Apache Cordova. Il risultato finale dello sviluppo di un’app attraverso questi framework è proprio quello di ottenere un oggetto che possa essere eseguito su qualsiasi dispositivo. Naturalmente la resa non sarà la stessa di un’app nativa, la quale ha libero accesso a tutte le funzionalità del dispositivo (rubrica, messaggi, notifiche, geolocalizzazione, fotocamera, accelerometro, etc.), però con questa nuova app vi è la garanzia di un costo di sviluppo minore e di una richiesta considerevole sul mercato. L’obiettivo della tesi è quello di analizzare questo scenario attraverso un caso di studio proveniente da una realtà aziendale che presenta proprio la necessità di sviluppare un’applicazione per più piattaforme. Nella prima parte della tesi viene affrontata la tematica del mobile computing e quella del dualismo tra la programmazione nativa e le web app: verranno analizzate le caratteristiche delle due diverse tipologie cercando di capire quale delle due risulti essere la migliore. Nella seconda parte sarà data luce a uno dei più importanti framework per la costruzione di app multi-piattaforma: Sencha Touch. Ne verranno analizzate le caratteristiche, soffermandosi in particolare sul pattern MVC e si potrà vedere un confronto con altri framework. Nella terza parte si tratterà il caso di studio, un app mobile per Retail basata su Sencha Touch e Apache Cordova. Nella parte finale si troveranno alcune riflessioni e conclusioni sul mobile platform-independent e sui vantaggi e gli svantaggi dell’utilizzo di JavaScript per sviluppare app.