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We present the fabrication of TiO2 nanotube electrodes with high biocompatibility and extraordinary spectroscopic properties. Intense surface-enhanced resonance Raman signals of the heme unit of the redox enzyme Cytochromeb(5) were observed upon covalent immobilization of the protein matrix on the TiO2 surface, revealing overall preserved structural integrity and redox behavior. The enhancement factor could be rationally controlled by varying the electrode annealing temperature, reaching a record maximum value of over 70 at 475 degrees C. For the first time, such high values are reported for non-directly surface-interacting probes, for which the involvement of charge-transfer processes in signal amplification can be excluded. The origin of the surface enhancement is exclusively attributed to enhanced localized electric fields resulting from the specific optical properties of the nanotubular geometry of the electrode.
The Sun is a star, which due to its proximity has a tremendous influence on Earth. Since its very first days mankind tried to "understand the Sun", and especially in the 20th century science has uncovered many of the Sun's secrets by using high resolution observations and describing the Sun by means of models. As an active star the Sun's activity, as expressed in its magnetic cycle, is closely related to the sunspot numbers. Flares play a special role, because they release large energies on very short time scales. They are correlated with enhanced electromagnetic emissions all over the spectrum. Furthermore, flares are sources of energetic particles. Hard X-ray observations (e.g., by NASA's RHESSI spacecraft) reveal that a large fraction of the energy released during a flare is transferred into the kinetic energy of electrons. However the mechanism that accelerates a large number of electrons to high energies (beyond 20 keV) within fractions of a second is not understood yet. The thesis at hand presents a model for the generation of energetic electrons during flares that explains the electron acceleration based on real parameters obtained by real ground and space based observations. According to this model photospheric plasma flows build up electric potentials in the active regions in the photosphere. Usually these electric potentials are associated with electric currents closed within the photosphere. However as a result of magnetic reconnection, a magnetic connection between the regions of different magnetic polarity on the photosphere can establish through the corona. Due to the significantly higher electric conductivity in the corona, the photospheric electric power supply can be closed via the corona. Subsequently a high electric current is formed, which leads to the generation of hard X-ray radiation in the dense chromosphere. The previously described idea is modelled and investigated by means of electric circuits. For this the microscopic plasma parameters, the magnetic field geometry and hard X-ray observations are used to obtain parameters for modelling macroscopic electric components, such as electric resistors, which are connected with each other. This model demonstrates that such a coronal electric current is correlated with large scale electric fields, which can accelerate the electrons quickly up to relativistic energies. The results of these calculations are encouraging. The electron fluxes predicted by the model are in agreement with the electron fluxes deduced from the measured photon fluxes. Additionally the model developed in this thesis proposes a new way to understand the observed double footpoint hard X-ray sources.
We develop a method of finding analytical sotutions of the Bogolyubov-de Gennes equations for the excitations of a Bose condensate in the Thomas-Fermi regime in harmonic traps of any asymmetry and introduce a classification of eigenstates. In the case of cylindrical symmetry we emphasize the presence of an accidental degeneracy in the excitation spectrum at certain values of the projection of orbital angular momentum on the symmetry axis and discuss possible consequences of the degeneracy in the context of new signatures of Bose- Einstein condensation
Next-generation sequencing methods provide comprehensive data for the analysis of structural and functional analysis of the genome. The draft genomes with low contig number and high N50 value can give insight into the structure of the genome as well as provide information on the annotation of the genome. In this study, we designed a pipeline that can be used to assemble prokaryotic draft genomes with low number of contigs and high N50 value. We aimed to use combination of two de novo assembly tools (SPAdes and IDBA-Hybrid) and evaluate the impact of this approach on the quality metrics of the assemblies. The followed pipeline was tested with the raw sequence data with short reads (< 300) for a total of 10 species from four different genera. To obtain the final draft genomes, we firstly assembled the sequences using SPAdes to find closely related organism using the extracted 16 s rRNA from it. IDBA-Hybrid assembler was used to obtain the second assembly data using the closely related organism genome. SPAdes assembler tool was implemented using the second assembly, produced by IDBA-hybrid as a hint. The results were evaluated using QUAST and BUSCO. The pipeline was successful for the reduction of the contig numbers and increasing the N50 statistical values in the draft genome assemblies while preserving the coverage of the draft genomes.
Measures for interoperability of phenotypic data: minimum information requirements and formatting
(2016)
Background: Plant phenotypic data shrouds a wealth of information which, when accurately analysed and linked to other data types, brings to light the knowledge about the mechanisms of life. As phenotyping is a field of research comprising manifold, diverse and time-consuming experiments, the findings can be fostered by reusing and combining existing datasets. Their correct interpretation, and thus replicability, comparability and interoperability, is possible provided that the collected observations are equipped with an adequate set of metadata. So far there have been no common standards governing phenotypic data description, which hampered data exchange and reuse. Results: In this paper we propose the guidelines for proper handling of the information about plant phenotyping experiments, in terms of both the recommended content of the description and its formatting. We provide a document called "Minimum Information About a Plant Phenotyping Experiment", which specifies what information about each experiment should be given, and a Phenotyping Configuration for the ISA-Tab format, which allows to practically organise this information within a dataset. We provide examples of ISA-Tab-formatted phenotypic data, and a general description of a few systems where the recommendations have been implemented. Conclusions: Acceptance of the rules described in this paper by the plant phenotyping community will help to achieve findable, accessible, interoperable and reusable data.
Migration and development in Senegal : a system dynamics analysis of the feedback relationships
(2011)
This thesis investigates the reciprocal relationship between migration and development in Senegal. Therewith, it contributes to the debate as to whether migration in developing countries enhances or rather impedes the development process. Even though extensive and controversial discussions can be found in the scientific literature regarding the impact of migration on development, research has scarcely examined the feedback relationships between migration and development. Science however agrees with both the fact that migration affects development as well as that the level of development in a country determines migration behaviour. Thus, both variables are neither dependent nor independent, but endogenous variables influencing each other and producing behavioural pattern that cannot be investigated using a static and unidirectional approach. On account of this, the thesis studies the feedback mechanisms existing between migration and development and the behavioural pattern generated by the high interdependence in order to be able to draw conclusions concerning the impact of changes in migration behaviour on the development process. To explore these research questions, the study applies the computer simulation method ‘System Dynamics’ and amplifies the simulation model for national development planning called ‘Threshold 21’ (T21), representing development processes endogenously and integrating economic, social and environmental aspects, using a structure that portrays the reasons and consequences of migration. The model has been customised to Senegal, being an appropriate representative of the theoretical interesting universe of cases. The comparison of the model generated scenarios - in which the intensity of emigration, the loss and gain of education, the remittances or the level of dependence changes - facilitates the analysis. The present study produces two important results. The first outcome is the development of an integrative framework representing migration and development in an endogenous way and incorporating several aspects of different theories. This model can be used as a starting point for further discussions and improvements and it is a fairly relevant and useful result against the background that migration is not integrated into most of the development planning tools despite its significant impact. The second outcome is the gained insights concerning the feedback relations between migration and development and the impact of changes in migration on development. To give two examples: It could be found that migration impacts development positively, indicated by HDI, but that the dominant behaviour of migration and development is a counteracting behaviour. That means that an increase in emigration leads to an improvement in development, while this in turn causes a decline in emigration, counterbalancing the initial increase. Another insight concerns the discovery that migration causes a decline in education in the short term, but leads to an increase in the long term, after approximately 25 years - a typical worse-before-better behaviour. From these and further observations, important policy implications can be derived for the sending and receiving countries. Hence, by overcoming the unidirectional perspective, this study contributes to an improved understanding of the highly complex relationship between migration and development and their feedback relations.
The pressure dependence of sheath gas assisted electrospray ionization (ESI) was investigated based on two complementary experimental setups, namely an ESI-ion mobility (IM) spectrometer and an ESI capillary - Faraday plate setup housed in an optically accessible vacuum chamber. The ESI-IM spectrometer is capable of working in the pressure range between 300 and 1000 mbar. Another aim was the assessment of the analytical capabilities of a subambient pressure ESI-IM spectrometer. The pressure dependence of ESI was characterized by imaging the electrospray and recording current-voltage (I-U) curves. Qualitatively different behavior was observed in both setups. While the current rises continuously with the voltage in the capillary-plate setup, a sharp increase of the current was measured in the IM spectrometer above a pressure-dependent threshold voltage. The different character can be attributed to the detection of different species in both experiments. In the capillary-plate experiment, a multitude of charged species are detected while only desolvated ions attribute to the IM spectrometer signal. This finding demonstrates the utility of IM spectrometry for the characterization of ESI, since in contrast to the capillary-plate setup, the release of ions from the electrospray droplets can be observed. The I-U curves change significantly with pressure. An important result is the reduction of the maximum current with decreasing pressure. The connected loss of ionization efficiency can be compensated by a more efficient transfer of ions in the IM spectrometer at increased E/N. Thus, similar limits of detection could be obtained at 500 mbar and 1 bar.
The capability of electrospray ionization (ESI)-ion mobility (IM) spectrometry for reaction monitoring is assessed both as a stand-alone real-time technique and in combination with HPLC. A three-step chemical reaction, consisting of a Williamson ether synthesis followed by a hydrogenation and an N-alkylation step, is chosen for demonstration. Intermediates and products are determined with a drift time to mass-per-charge correlation. Addition of an HPLC column to the setup increases the separation power and allows the determination of further species. Monitoring of the intensities of the various species over the reaction time allows the detection of the end of reaction, determination of the rate-limiting step, observation of the system response in discontinuous processes, and optimization of the mass ratios of the starting materials. However, charge competition in ESI influences the quantitative detection of substances in the reaction mixture. Therefore, two different methods are investigated, which allow the quantification and investigation of reaction kinetics. The first method is based on the pre-separation of the compounds on an HPLC column and their subsequent individual detection in the ESI-IM spectrometer. The second method involves an extended calibration procedure, which considers charge competition effects and facilitates nearly real-time quantification.
The application of electrospray ionization (ESI) ion mobility (IM) spectrometry on the detection end of a high-performance liquid chromatograph has been a subject of study for some time. So far, this method has been limited to low flow rates or has required splitting of the liquid flow. This work presents a novel concept of an ESI source facilitating the stable operation of the spectrometer at flow rates between 10 mu L min(-1) and 1500 mu L min(-1) without flow splitting, advancing the T-cylinder design developed by Kurnin and co-workers. Flow rates eight times faster than previously reported were achieved because of a more efficient dispersion of the liquid at increased electrospray voltages combined with nebulization by a sheath gas. Imaging revealed the spray operation to be in a rotationally symmetric multijet-mode. The novel ESI-IM spectrometer tolerates high water contents (<= 90%) and electrolyte concentrations up to 10 mM, meeting another condition required of high-performance liquid chromatography (HPLC) detectors. Limits of detection of 50 nM for promazine in the positive mode and 1 mu M for 1,3-dinitrobenzene in the negative mode were established. Three mixtures of reduced complexity (five surfactants, four neuroleptics, and two isomers) were separated in the millisecond regime in stand-alone operation of the spectrometer. Separations of two more complex mixtures (five neuroleptics and 13 pesticides) demonstrate the application of the spectrometer as an HPLC detector. The examples illustrate the advantages of the spectrometer over the established diode array detector, in terms of additional IM separation of substances not fully separated in the retention time domain as well as identification of substances based on their characteristic IMs.
The combination of high-performance liquid chromatography and electrospray ionization ion mobility spectrometry facilitates the two-dimensional separation of complex mixtures in the retention and drift time plane. The ion mobility spectrometer presented here was optimized for flow rates customarily used in high-performance liquid chromatography between 100 and 1500 mu L/min. The characterization of the system with respect to such parameters as the peak capacity of each time dimension and of the 2D spectrum was carried out based on a separation of a pesticide mixture containing 24 substances. While the total ion current chromatogram is coarsely resolved, exhibiting coelutions for a number of compounds, all substances can be separately detected in the 2D plane due to the orthogonality of the separations in retention and drift dimensions. Another major advantage of the ion mobility detector is the identification of substances based on their characteristic mobilities. Electrospray ionization allows the detection of substances lacking a chromophore. As an example, the separation of a mixture of 18 amino acids is presented. A software built upon the free mass spectrometry package OpenMS was developed for processing the extensive 2D data. The different processing steps are implemented as separate modules which can be arranged in a graphic workflow facilitating automated processing of data.
The increasing development of antibiotic resistance in bacteria has been a major problem for years, both in human and veterinary medicine. Prophylactic measures, such as the use of vaccines, are of great importance in reducing the use of antibiotics in livestock. These vaccines are mainly produced based on formaldehyde inactivation. However, the latter damages the recognition elements of the bacterial proteins and thus could reduce the immune response in the animal. An alternative inactivation method developed in this work is based on gentle photodynamic inactivation using carbon nanodots (CNDs) at excitation wavelengths λex > 290 nm. The photodynamic inactivation was characterized on the nonvirulent laboratory strain Escherichia coli K12 using synthesized CNDs. For a gentle inactivation, the CNDs must be absorbed into the cytoplasm of the E. coli cell. Thus, the inactivation through photoinduced formation of reactive oxygen species only takes place inside the bacterium, which means that the outer membrane is neither damaged nor altered. The loading of the CNDs into E. coli was examined using fluorescence microscopy. Complete loading of the bacterial cells could be achieved in less than 10 min. These studies revealed a reversible uptake process allowing the recovery and reuse of the CNDs after irradiation and before the administration of the vaccine. The success of photodynamic inactivation was verified by viability assays on agar. In a homemade flow photoreactor, the fastest successful irradiation of the bacteria could be carried out in 34 s. Therefore, the photodynamic inactivation based on CNDs is very effective. The membrane integrity of the bacteria after irradiation was verified by slide agglutination and atomic force microscopy. The method developed for the laboratory strain E. coli K12 could then be successfully applied to the important avian pathogens Bordetella avium and Ornithobacterium rhinotracheale to aid the development of novel vaccines.
The increasing development of antibiotic resistance in bacteria has been a major problem for years, both in human and veterinary medicine. Prophylactic measures, such as the use of vaccines, are of great importance in reducing the use of antibiotics in livestock. These vaccines are mainly produced based on formaldehyde inactivation. However, the latter damages the recognition elements of the bacterial proteins and thus could reduce the immune response in the animal. An alternative inactivation method developed in this work is based on gentle photodynamic inactivation using carbon nanodots (CNDs) at excitation wavelengths λex > 290 nm. The photodynamic inactivation was characterized on the nonvirulent laboratory strain Escherichia coli K12 using synthesized CNDs. For a gentle inactivation, the CNDs must be absorbed into the cytoplasm of the E. coli cell. Thus, the inactivation through photoinduced formation of reactive oxygen species only takes place inside the bacterium, which means that the outer membrane is neither damaged nor altered. The loading of the CNDs into E. coli was examined using fluorescence microscopy. Complete loading of the bacterial cells could be achieved in less than 10 min. These studies revealed a reversible uptake process allowing the recovery and reuse of the CNDs after irradiation and before the administration of the vaccine. The success of photodynamic inactivation was verified by viability assays on agar. In a homemade flow photoreactor, the fastest successful irradiation of the bacteria could be carried out in 34 s. Therefore, the photodynamic inactivation based on CNDs is very effective. The membrane integrity of the bacteria after irradiation was verified by slide agglutination and atomic force microscopy. The method developed for the laboratory strain E. coli K12 could then be successfully applied to the important avian pathogens Bordetella avium and Ornithobacterium rhinotracheale to aid the development of novel vaccines.
The knowledge of the largest expected earthquake magnitude in a region is one of the key issues in probabilistic seismic hazard calculations and the estimation of worst-case scenarios. Earthquake catalogues are the most informative source of information for the inference of earthquake magnitudes. We analysed the earthquake catalogue for Central Asia with respect to the largest expected magnitudes m(T) in a pre-defined time horizon T-f using a recently developed statistical methodology, extended by the explicit probabilistic consideration of magnitude errors. For this aim, we assumed broad error distributions for historical events, whereas the magnitudes of recently recorded instrumental earthquakes had smaller errors. The results indicate high probabilities for the occurrence of large events (M >= 8), even in short time intervals of a few decades. The expected magnitudes relative to the assumed maximum possible magnitude are generally higher for intermediate-depth earthquakes (51-300 km) than for shallow events (0-50 km). For long future time horizons, for example, a few hundred years, earthquakes with M >= 8.5 have to be taken into account, although, apart from the 1889 Chilik earthquake, it is probable that no such event occurred during the observation period of the catalogue.
Earthquake catalogs are probably the most informative data source about spatiotemporal seismicity evolution. The catalog quality in one of the most active seismogenic zones in the world, Japan, is excellent, although changes in quality arising, for example, from an evolving network are clearly present. Here, we seek the best estimate for the largest expected earthquake in a given future time interval from a combination of historic and instrumental earthquake catalogs. We extend the technique introduced by Zoller et al. (2013) to estimate the maximum magnitude in a time window of length T-f for earthquake catalogs with varying level of completeness. In particular, we consider the case in which two types of catalogs are available: a historic catalog and an instrumental catalog. This leads to competing interests with respect to the estimation of the two parameters from the Gutenberg-Richter law, the b-value and the event rate lambda above a given lower-magnitude threshold (the a-value). The b-value is estimated most precisely from the frequently occurring small earthquakes; however, the tendency of small events to cluster in aftershocks, swarms, etc. violates the assumption of a Poisson process that is used for the estimation of lambda. We suggest addressing conflict by estimating b solely from instrumental seismicity and using large magnitude events from historic catalogs for the earthquake rate estimation. Applying the method to Japan, there is a probability of about 20% that the maximum expected magnitude during any future time interval of length T-f = 30 years is m >= 9.0. Studies of different subregions in Japan indicates high probabilities for M 8 earthquakes along the Tohoku arc and relatively low probabilities in the Tokai, Tonankai, and Nankai region. Finally, for scenarios related to long-time horizons and high-confidence levels, the maximum expected magnitude will be around 10.
We show how the maximum magnitude within a predefined future time horizon may be estimated from an earthquake catalog within the context of Gutenberg-Richter statistics. The aim is to carry out a rigorous uncertainty assessment, and calculate precise confidence intervals based on an imposed level of confidence a. In detail, we present a model for the estimation of the maximum magnitude to occur in a time interval T-f in the future, given a complete earthquake catalog for a time period T in the past and, if available, paleoseismic events. For this goal, we solely assume that earthquakes follow a stationary Poisson process in time with unknown productivity Lambda and obey the Gutenberg-Richter law in magnitude domain with unknown b-value. The random variables. and b are estimated by means of Bayes theorem with noninformative prior distributions. Results based on synthetic catalogs and on retrospective calculations of historic catalogs from the highly active area of Japan and the low-seismicity, but high-risk region lower Rhine embayment (LRE) in Germany indicate that the estimated magnitudes are close to the true values. Finally, we discuss whether the techniques can be extended to meet the safety requirements for critical facilities such as nuclear power plants. For this aim, the maximum magnitude for all times has to be considered. In agreement with earlier work, we find that this parameter is not a useful quantity from the viewpoint of statistical inference.