TY - GEN A1 - Lamprecht, Anna-Lena A1 - Margaria, Tiziana A1 - Steffen, Bernhard T1 - Bio-jETI : a framework for semantics-based service composition N2 - Background: The development of bioinformatics databases, algorithms, and tools throughout the last years has lead to a highly distributedworld of bioinformatics services. Without adequatemanagement and development support, in silico researchers are hardly able to exploit the potential of building complex, specialized analysis processes from these services. The Semantic Web aims at thoroughly equipping individual data and services with machine-processable meta-information, while workflow systems support the construction of service compositions. However, even in this combination, in silico researchers currently would have to deal manually with the service interfaces, the adequacy of the semantic annotations, type incompatibilities, and the consistency of service compositions. Results: In this paper, we demonstrate by means of two examples how Semantic Web technology together with an adequate domain modelling frees in silico researchers from dealing with interfaces, types, and inconsistencies. In Bio-jETI, bioinformatics services can be graphically combined to complex services without worrying about details of their interfaces or about type mismatches of the composition. These issues are taken care of at the semantic level by Bio-jETI’s model checking and synthesis features. Whenever possible, they automatically resolve type mismatches in the considered service setting. Otherwise, they graphically indicate impossible/incorrect service combinations. In the latter case, the workflow developermay either modify his service composition using semantically similar services, or ask for help in developing the missing mediator that correctly bridges the detected type gap. Newly developed mediators should then be adequately annotated semantically, and added to the service library for later reuse in similar situations. Conclusion: We show the power of semantic annotations in an adequately modelled and semantically enabled domain setting. Using model checking and synthesis methods, users may orchestrate complex processes from a wealth of heterogeneous services without worrying about interfaces and (type) consistency. The success of this method strongly depends on a careful semantic annotation of the provided services and on its consequent exploitation for analysis, validation, and synthesis. We are convinced that these annotations will become standard, as they will become preconditions for the success and widespread use of (preferred) services in the Semantic Web T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - paper 136 KW - European Bioinformatics Institute KW - Integration KW - Tool KW - Alignment KW - Workflow Y1 - 2009 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus-45066 ER - TY - THES A1 - Zakrevskyy, Yuriy T1 - Liquid crystallinity and alignment of ionic self-assembly complexes T1 - Flüssigkristallinität und Alignment ionischer Self-Assembly Komplexe N2 - In this work the first observation of new type of liquid crystals is presented. This is ionic self-assembly (ISA) liquid crystals formed by introduction of oppositely charged ions between different low molecular tectonic units. As practically all conventional liquid crystals consist of rigid core and alkyl chains the attention is focused to the simplest case where oppositely charged ions are placed between a rigid core and alkyl tails. The aim of this work is to investigate and understand liquid crystalline and alignment properties of these materials. It was found that ionic interactions within complexes play the main role. Presence of these interactions restricts transition to isotropic phase. In addition, these interactions hold the system (like network) allowing crystallization into a single domain from aligned LC state. Alignment of these simple ISA complexes was spontaneous on a glass substrate. In order to show potentials for application perylenediimide and azobenzene containing ISA complexes have been investigated for correlations between phase behavior and their alignment properties. The best results of macroscopic alignment of perylenediimide-based ISA complexes have been obtained by zone-casting method. In the aligned films the columns of the complex align perpendicular to the phase-transition front. The obtained anisotropy (DR = 18) is thermally stable. The investigated photosensitive (azobenzene-based) ISA complexes show formation of columnar LC phases. It was demonstrated that photo alignment of such complexes was very effective (DR = 50 has been obtained). It was shown that photo-reorientation in the photosensitive ISA complexes is cooperative process. The size of domains has direct influence on efficiency of the photo-reorientation process. In the case of small domains the photo-alignment is the most effective. Under irradiation with linearly polarized light domains reorient in the plane of the film leading to macroscopic alignment of columns parallel to the light polarization and joining of small domains into big ones. Finally, the additional distinguishable properties of the ISA liquid crystalline complexes should be noted: (I) the complexes do not solve in water but readily solve in organic solvents; (II) the complexes have good film-forming properties when cast or spin-coated from organic solvent; (III) alignment of the complexes depends on their structure and secondary interactions between tectonic units. N2 - In dieser Arbeit wird erstmalig eine neue Klasse von Flüssigkristallen auf Basis ionischer Self-Assembly (ISA) Komplexe beschrieben. Während herkömmliche thermotrope Flüssigkristalle aus steifen, formanisotropen Molekülfragmenten und kovalent gebundenen Flügelgruppen (meist Alkylketten) bestehen, entstehen diese neuartigen supramolekularen Verbindungen durch die Komplexierung gegensätzlich geladener ionischer tektonischer Einheiten und Tenside. Ziel der Arbeit war es, die flüssigkristallinen und insbesondere die Orientierungseigenschaften dieser neuen Materialien am Beispiel repräsentativer Modellverbindungen zu untersuchen. Es wurde nachgewiesen, dass die ionischen Wechselwirkungen die thermischen Eigenschaften der Verbindungen entscheidend beeinflussen. So behindern sie den Übergang in die isotrope Phase. Das System wird quasi durch ein Netzwerk ionischer Wechselwirkungen stabilisiert. Makroskopisch orientierte LC Zustände sind offensichtlich Ausgangspunkt für hochgeordnete flüssigkristalline Filme oder gar für die Kristallisation von Monodomänen. In speziellen Fällen erfolgt eine spontane Ausbildung von ISA Monodomänen bereits auf Glassubstraten. Mit Hinblick auf potentielle Anwendungen wurden Perylendiimid und Azobenzen enthaltene ISA Komplexe insbesondere hinsichtlich von Zusammenhängen zwischen Phasenverhalten und Orientierungseigenschaften untersucht. Die zone-casting Methode erwies sich als besonders geeignet für die makroskopische Orientierung perylendiimidbasierter ISA Komplexe. In orientierten Filmen richten sich die Kolumnen des Komplexes senkrecht zur Phasenübergangsfront aus. Das dabei erreichte dichroitische Verhältnis (DR=18) ist thermisch stabil. Die untersuchten Azobenzen basierten ISA Komplexe weisen kolumnare LC Phasen auf. Durch Photoalignment mittels linear polarisierten Lichts werden Komplexe sehr effektiv senkrecht bzw. die Columnen der Komplexe parallel zur Polarisation des Lichtes orientiert, wobei sehr hohe DR bis zu 50 erreicht wurden. Weiterhin wurde gezeigt, dass die Photo-Reorientierung photosensitiver ISA Komplexe kooperativ erfolgt. Die Größe der Domänen hat dabei einen entscheidenden Einfluß auf die Effektivität des Photo-Reorientierungsprozesses. So ist der Prozess im Fall kleiner Domänen effektiver. Durch die Bestrahlung mit linear polarisiertem Licht werden die Domänen in der Filmebene reorientiert, was zu einer makroskopischen Ausrichtung der Kolumnen parallel zur Lichtpolarisation und zu einer Vereinigung kleiner Domänen führt. KW - Flüssigkristall KW - ionischer Self-Assembly KW - Komplex KW - Alignment KW - Liquid crystal KW - Ionic Self-Assembly KW - Complex KW - Alignment Y1 - 2006 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus-10048 ER -