Implementation and evaluation of ILLIAC 4 algorithms for multispectral image processing

Data concerning a multidisciplinary and multi-organizational effort to implement multispectral data analysis algorithms on a revolutionary computer, the Illiac 4, are reported. The effectiveness and efficiency of implementing the digital multispectral data analysis techniques for producing useful land use classifications from satellite collected data were demonstrated

Computational structure‐based drug design: Predicting target flexibility

The role of molecular modeling in drug design has experienced a significant revamp in the last decade. The increase in computational resources and molecular models, along with software developments, is finally introducing a competitive advantage in early phases of drug discovery. Medium and small companies with strong focus on computational chemistry are being created, some of them having introduced important leads in drug design pipelines. An important source for this success is the extraordinary development of faster and more efficient techniques for describing flexibility in three‐dimensional structural molecular modeling. At different levels, from docking techniques to atomistic molecular dynamics, conformational sampling between receptor and drug results in improved predictions, such as screening enrichment, discovery of transient cavities, etc. In this review article we perform an extensive analysis of these modeling techniques, dividing them into high and low throughput, and emphasizing in their application to drug design studies. We finalize the review with a section describing our Monte Carlo method, PELE, recently highlighted as an outstanding advance in an international blind competition and industrial benchmarks.We acknowledge the BSC-CRG-IRB Joint Research Program in Computational Biology. This work was supported by a grant from the Spanish Government CTQ2016-79138-R.J.I. acknowledges support from SVP-2014-068797, awarded by the Spanish Government.Peer ReviewedPostprint (author's final draft

Planning and evaluation parameters for offshore complexes

Issues are presented for consideration in the planning and design of offshore artificial complexes. The construction of such complexes, their social, economic, and ecological impacts, and the legal-political-institutional environments within which their development could occur, are discussed. Planning, design, and construction of near-shore complexes located off the Mid-Atlantic coast of the United States is emphasized

Studies of Single-Molecule Dynamics in Microorganisms

Fluorescence microscopy is one of the most extensively used techniques in the life sciences. Considering the non-invasive sample preparation, enabling live-cell compliant imaging, and the specific fluorescence labeling, allowing for a specific visualization of virtually any cellular compound, it is possible to localize even a single molecule in living cells. This makes modern fluorescence microscopy a powerful toolbox. In the recent decades, the development of new, "super-resolution" fluorescence microscopy techniques, which surpass the diffraction limit, revolutionized the field. Single-Molecule Localization Microscopy (SMLM) is a class of super-resolution microscopy methods and it enables resolution of down to tens of nanometers. SMLM methods like Photoactivated Localization Microscopy (PALM), (direct) Stochastic Optical Reconstruction Microscopy ((d)STORM), Ground-State Depletion followed by Individual Molecule Return (GSDIM) and Point Accumulation for Imaging in Nanoscale Topography (PAINT) have allowed to investigate both, the intracellular spatial organization of proteins and to observe their real-time dynamics at the single-molecule level in live cells. The focus of this thesis was the development of novel tools and strategies for live-cell SingleParticle Tracking PALM (sptPALM) imaging and implementing them for biological research. In the first part of this thesis, I describe the development of new Photoconvertible Fluorescent Proteins (pcFPs) which are optimized for sptPALM lowering the phototoxic damage caused by the imaging procedure. Furthermore, we show that we can utilize them together with Photoactivatable Fluorescent Proteins (paFPs) to enable multi-target labeling and read-out in a single color channel, which significantly simplifies the sample preparation and imaging routines as well as data analysis of multi-color PALM imaging of live cells. In parallel to developing new fluorescent proteins, I developed a high throughput data analysis pipeline. I have implemented this pipeline in my second project, described in the second part of this thesis, where I have investigated the protein organization and dynamics of the CRISPR-Cas antiviral defense mechanism of bacteria in vivo at a high spatiotemporal level with the sptPALM approach. I was successful to show the differences in the target search dynamics of the CRISPR effector complexes as well as of single Cas proteins for different target complementarities. I have also first data describing longer-lasting bound-times between effector complex and their potential targets in vivo, for which only in vitro data has been available till today. In summary, this thesis is a significant contribution for both, the advances of current sptPALM imaging methods, as well as for the understanding of the native behavior of CRISPR-Cas systems in vivo

Design Principles of Mobile Information Systems in the Digital Transformation of the Workplace - Utilization of Smartwatch-based Information Systems in the Corporate Context

During the last decades, smartwatches emerged as an innovative and promising technology and hit the consumer market due to the accessibility of affordable devices and predominant acceptance caused by the considerable similarity to common wristwatches. With the unique characteristics of permanent availability, unobtrusiveness, and hands-free operation, they can provide additional value in the corporate context. Thus, this thesis analyzes use cases for smartwatches in companies, elaborates on the design of smartwatch-based information systems, and covers the usability of smartwatch applications during the development of smartwatch-based information systems. It is composed of three research complexes. The first research complex focuses on the digital assistance of (mobile) employees who have to execute manual work and have been excluded so far from the benefits of the digitalization since they cannot operate hand-held devices. The objective is to design smartwatch-based information systems to support workflows in the corporate context, facilitate the daily work of numerous employees, and make processes more efficient for companies. During a design science research approach, smartwatch-based software artifacts are designed and evaluated in use cases of production, support, security service, as well as logistics, and a nascent design theory is proposed to complement theory according to mobile information system research. The evaluation shows that, on the one hand, smartwatches have enormous potential to assist employees with a fast and ubiquitous exchange of information, instant notifications, collaboration, and workflow guidance while they can be operated incidentally during manual work. On the other hand, the design of smartwatch-based information systems is a crucial factor for successful long-term deployment in companies, and especially limitations according to the small form-factor, general conditions, acceptance of the employees, and legal regulations have to be addressed appropriately. The second research complex addresses smartwatch-based information systems at the office workplace. This broadens and complements the view on the utilization of smartwatches in the corporate context in addition to the mobile context described in the first research complex. Though smartwatches are devices constructed for mobile use, the utilization in low mobile or stationary scenarios also has benefits due they exhibit the characteristic of a wearable computer and are directly connected to the employee’s body. Various sensors can perceive employee-, environment- and therefore context-related information and demand the employees’ attention with proactive notifications that are accompanied by a vibration. Thus, a smartwatch-based and gamified information system for health promotion at the office workplace is designed and evaluated. Research complex three provides a closer look at the topic of usability concerning applications running on smartwatches since it is a crucial factor during the development cycle. As a supporting element for the studies within the first and second research complex, a framework for the usability analysis of smartwatch applications is developed. For research, this thesis contributes a systemization of the state-of-the-art of smartwatch utilization in the corporate context, enabling and inhibiting influence factors of the smartwatch adoption in companies, and design principles as well as a nascent design theory for smartwatch-based information systems to support mobile employees executing manual work. For practice, this thesis contributes possible use cases for smartwatches in companies, assistance in decision-making for the introduction of smartwatch-based information systems in the corporate context with the Smartwatch Applicability Framework, situated implementations of a smartwatch-based information system for typical use cases, design recommendations for smartwatch-based information systems, an implementation of a smartwatch-based information system for the support of mobile employees executing manual work, and a usability-framework for smartwatches to automatically access usability of existing applications providing suggestions for usability improvement

Explaining the EU's Policy Portfolio: Applying a Federal Integration Approach to EU Cohesion Policy. Bruges Political Research Paper No. 20, December 2011

This paper engages with the debate about why the nature of the EU's policy portfolio is as it is. It does so by taking cohesion policy and asking the question, why has it come to occupy so important a position in the EU‟s policy portfolio? It is argued that the two most common conceptually-based approaches applied to cohesion policy – intergovernmentalism and multilevel governance – do not adequately explain either the timing or the dynamic of cohesion policy. A model that combines economic integration approaches and federal approaches is developed in the paper to provide a basis for a new explanatory framework for the prominent position of cohesion in the portfolio. We suggest that our approach – which we call a federal integration approach – has the potential to be applied to other policy areas

Human experience in the natural and built environment : implications for research policy and practice

22nd IAPS conference. Edited book of abstracts. 427 pp. University of Strathclyde, Sheffield and West of Scotland Publication. ISBN: 978-0-94-764988-3