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Seit 2004 fördert die DFG durch umfangreiche Finanzierungsmaßnahmen den deutschlandweiten Zugriff auf elektronische Literatur- und Informationssysteme für fast alle Fachgebiete ...

Seit 2004 fördert die DFG durch umfangreiche Finanzierungsmaßnahmen den deutschlandweiten Zugriff auf elektronische Literatur- und Informationssysteme für fast alle Fachgebiete ...

Since 2007, PhD students of the DFG Research Training Groups (RTGs) and other doctoral student programs in computer science have been meeting annually for networking and knowledge exchange purposes at Schloss Dagstuhl. This year’s meeting is organized in cooperation by RTG 1907 RoSI – Role-based Software Infrastructures for continuous-context- sensitive Systems and RTG 1780 Crossworlds – Connecting Virtual and Real Social Worlds and takes place at the Research Center of Schloss Dagstuhl from May 22 to 25. This book includes abstracts of the PhD research areas of all computer science related RTG graduate students and associated doctoral programs and provides an insight into current research trends in Germany. / Seit 2007 treffen sich die Promotionsstudenten der DFG-Graduiertenkollegs und anderer Promotionsprogramme der Informatik jährlich auf Schloss Dagstuhl, um den akademischen Diskurs zu fördern und neue Kontakte zu knüpfen. Dieses Jahr wurde die Tagung gemeinsam von GRK 1907 RoSI – Role-based Software Infrastructures for continuous-context- sensitive Systems und GRK 1780 Crossworlds – Connecting Virtual and Real Social Worlds vorbereitet und organisiert. Sie findet im Zeitraum 22.5. – 25.5.2016 im Forschungszentrum auf Schloss Dagstuhl statt. Dieser Tagungsband enthält die Abstracts der beteiligten Promotionsstudenten aller Graduiertenkollegs aus dem Fachbereich Informatik und anderer assoziierter Promotionsprogramme und gibt Einblick in die aktuellen Forschungstrends in Deutschland.

Le récepteur tyrosine kinase Axl a été découvert en 1988. Depuis, son implication dans les phénomènes de cancérisation a été mis en lumière. Ce récepteur est surexprimé, entre autres, dans les lignées cellulaires du cancer du pancréas et du cancer du sein triple négatif. Le succès des inhibiteurs de kinase contre les cancers (imatinib, erlotinib …) nous a poussés à nous focaliser sur la conception d'inhibiteurs du domaine kinase de la protéine Axl afin d'élaborer de nouveaux anticancéreux. Pour ce faire, nous avons décidé de modéliser le domaine kinase de la protéine Axl en conformations dites ‘active' et ‘inactive'. Les modèles ont ensuite été validés par différentes méthodes : des méthodes de bioinformatique structurale mais aussi par amarrage comparatif et par criblage virtuel focalisé. Sur la base de ces modèles, une chimiothèque virtuelle focalisée a été construite et amarrée dans les modèles d'Axl. J'ai ensuite effectué la synthèse chimique de 15 des ligands conçus à l'étape précédente et ciblant la conformation ‘inactive' du domaine kinase d'Axl. Aucun de ces ligands n'est apparu actif dans les tests in vitro. Dans un second temps, nous nous sommes intéressés à la chimie des noyaux 4- et 7-azaindoles. Ces travaux ont permis la synthèse de 12 ligands dirigés contre les conformations ‘inactives' des domaines kinases d'Abl et de Src dont certains ont montré une activité prometteuse. Parallèlement, un criblage a très large échelle a été publié et nous avons utilisé ces nouveaux résultats pour réévaluer l'existence d'une conformation -inactive' – de type « DFG-out » - du domaine kinase d'Axl. Ces travaux permettront la conception de nouveaux ligands ciblant efficacement Axl. / The receptor tyrosine kinase Axl was discovered in 1988. Latter on, its involvement in the cancer development was highlighted. Axl is overexpressed in pancreatic cancer and triple-negative breast cancer cell lines. The success of kinase inhibitors (imatinib, erlotinib ...) led us to focus on the design of inhibitors targetting the kinase domain of Axl. As a guide, we modeled the protein-kinase domain in its active and inactive conformations to perform structure-based drug design. The models were then validated by different methods: structural bioinformatics, comparative docking and focused virtual screening. A virtual chemical library was built and docked into Axl models.Then, I synthetized 15 chemical compounds targetting the ‘inactive' conformation of the kinase domain of Axl. However, none were active in an in vitro assay. Then we were interested in the chemistry of 4 and 7-azaindole cores. This work led to the synthesis of 12 ligands among which several showed promising activity against the ‘inactive' conformation of the kinase domains of Abl and Src.Meanwhile, a large-scale screening was published and we used that new data to re-evaluate the modeling of a "DFG-out" inactive conformation of Axl.

Since 2007, PhD students of the DFG Research Training Groups (RTGs) and other doctoral student programs in computer science have been meeting annually for networking and knowledge exchange purposes at Schloss Dagstuhl. This year’s meeting is organized in cooperation by RTG 1907 RoSI – Role-based Software Infrastructures for continuous-context- sensitive Systems and RTG 1780 Crossworlds – Connecting Virtual and Real Social Worlds and takes place at the Research Center of Schloss Dagstuhl from May 22 to 25. This book includes abstracts of the PhD research areas of all computer science related RTG graduate students and associated doctoral programs and provides an insight into current research trends in Germany. / Seit 2007 treffen sich die Promotionsstudenten der DFG-Graduiertenkollegs und anderer Promotionsprogramme der Informatik jährlich auf Schloss Dagstuhl, um den akademischen Diskurs zu fördern und neue Kontakte zu knüpfen. Dieses Jahr wurde die Tagung gemeinsam von GRK 1907 RoSI – Role-based Software Infrastructures for continuous-context- sensitive Systems und GRK 1780 Crossworlds – Connecting Virtual and Real Social Worlds vorbereitet und organisiert. Sie findet im Zeitraum 22.5. – 25.5.2016 im Forschungszentrum auf Schloss Dagstuhl statt. Dieser Tagungsband enthält die Abstracts der beteiligten Promotionsstudenten aller Graduiertenkollegs aus dem Fachbereich Informatik und anderer assoziierter Promotionsprogramme und gibt Einblick in die aktuellen Forschungstrends in Deutschland.

A compact optical terahertz (THz) source was demonstrated based on an efficient high-repetition-rate doubly resonant optical parametric oscillator (OPO) around 2 mu m with two type-II phase-matched KTP crystals in the walk-off compensated configuration. The KTP OPO was intracavity pumped by an acousto-optical (AO) Q-switched Nd:YVO4 laser and emitted two tunable wavelengths near degeneracy. The tuning range extended continuously from 2.068 mu m to 2.191 mu m with a maximum output power of 3.29 W at 24 kHz, corresponding to an optical-optical conversion efficiency (from 808 nm to 2 mu m) of 20.69%. The stable pulsed dual-wavelength operation provided an ideal pump source for generating terahertz wave of micro-watt level by the difference frequency generation (DFG) method. A 7.84-mm-long periodically inverted quasi-phase-matched (QPM) GaAs crystal with 6 periods was used to generate a terahertz wave, the maximum voltage of 180 mV at 1.244 THz was acquired by a 4.2-K Si bolometer, corresponding to average output power of 0.6 mu W and DFG conversion efficiency of 4.32x10(-7). The acceptance bandwidth was found to be larger than 0.35 THz (FWHM). As to the 15-mm-long GaSe crystal used in the type-II collinear DFG, a tunable THz source ranging from 0.503 THz to 3.63 THz with the maximum output voltage of 268 mV at 1.65 THz had been achieved, and the corresponding average output power and DFG conversion efficiency were 0.9 mu W and 5.86x10(-7) respectively. This provides a potential practical palm-top tunable THz sources for portable applications.

Laser diagnostics are fast-response, non-intrusive and species-specific tools perfectly applicable for studying combustion processes. Quantitative measurements of species concentration and temperature require spectroscopic data to be well-known at combustion-relevant conditions. Absorption cross-section is an important spectroscopic quantity and has direct relation to the species concentration. In this work, the absorption cross-sections of basic hydrocarbons are measured using Fourier Transform Infrared (FTIR) spectrometer, tunable Difference Frequency Generation laser and fixed wavelength helium-neon laser. The studied species are methane, methanol, acetylene, ethylene, ethane, ethanol, propylene, propane, 1-butene, n-butane, n-pentane, n-hexane, and n-heptane. The Fourier Transform Infrared (FTIR) spectrometer is used for the measurements of the absorption cross-sections and the integrated band intensities of the 13 hydrocarbons. The spectral region of the spectra is 2800 – 3400 cm-1 (2.9 – 3.6 μm) and the temperature range is 673 – 1100 K. These valuable data provide huge opportunities to select interference-free wavelengths for measuring time-histories of a specific species in a shock tube or other combustion systems. Such measurements can allow developing/improving chemical kinetics mechanisms by experimentally determining reaction rates. The Difference Frequency Generation (DFG) laser is a narrow line-width, tunable laser in the 3.35 – 3.53 μm wavelength region which contains strong absorption features for most hydrocarbons due to the fundamental C-H vibrating stretch. The absorption cross-sections of propylene are measured at seven different wavelengths using the DFG laser. The temperature range is 296 – 460 K which is reached using a Reflex Cell. The DFG laser is very attractive for kinetic studies in the shock tube because of its fast time response and the potential possibility of making species-specific measurements. The Fixed wavelength helium-neon (HeNe) laser at 3.39 μm is used to measure the absorption cross-section of the fuels mentioned above. The dependence on temperature, pressure and bath gas (helium, argon and nitrogen) is also examined. The temperature and pressure ranges of this study are 296 – 800 K and 250 – 1000 Torr, respectively. These are the first measured cross-sections at HeNe laser wavelength that are applicable at combustion-relevant conditions.

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Nous reportons dans ces travaux de thèse le développement de deux spectromètres à lasers fonctionnant dans la région spectrale du moyen infrarouge (2,78 µm et 8 µm) correspondant aux deux fenêtres atmosphériques pour la détection de traces de gaz. Le premier spectromètre, basé sur la génération de différence de fréquences (DFG) vers 2,78 µm, est couplé à un spectromètre utilisant un laser à cascade quantique (QCL) vers 8 µm dans une cellule multipassages. Ce montage croisé nous a permis de déterminer pour la première fois expérimentalement les intensités de 31 raies d’absorption les plus intenses de la branche Q de la bande fondamentale ν₁ de l’isomère trans de l’acide nitreux (trans-HONO), considéré comme espèce clé pour la capacité d'oxydation atmosphérique. Nous avons exploité le spectromètre à QCL lors d’une campagne de mesures ciblée sur la surveillance continue du méthane (CH₄) pendant le mois de janvier 2013 à Dunkerque. Les observations de la variation de la concentration du CH₄ ont été analysées à l'aide des paramètres météorologiques simultanément enregistrées. Face au besoin d’identification de ses sources d’émission, nous avons développé la technique IRLS (Isotope Ratio Laser Spectrometry) pour la mesure du taux isotopique de ¹³CH₄/¹²CH₄. Les résultats préliminaires sont présentés. / I report in this PhD thesis on the development of two mid-infrared laser spectrometers, based on difference-frequency generation (DFG) and quantum cascade laser (QCL), for application to trace gas monitoring. The DFG spectrometer (2.78 µm) was coupled with the QCL spectrometer (8 µm) to simultaneously measure nitrous acid (HONO) absorption spectra of the v₁ and v₃ bands respectively. Such crossing measurements allow us to determine experimentally, for the first time, the line strengths of 31 absorption lines of the ν1 band of trans isomer of nitrous acid that significantly impacts the air quality and climate change because of its crucial role in the atmospheric oxidation capacity. The QCL spectrometer is also deployed for continuous monitoring of methane (CH₄) during January 2013 in Dunkirk. Methane concentration variation is analyzed with the help of the simultaneously recorded meteorological parameters. In order to identify the sources of CH₄ emission, I developed an Isotope Ratio Laser Spectrometry (IRLS) technique to measure the isotopic ratio of ¹³CH₄/¹²CH₄. Preliminary results are presented.