Aufbau eines MATI-Spektrometers und Messungen an Alkyl-Benzolen mit Hilfe von MATI-Spektroskopie

In dieser Arbeit ist ein Spektrometer zur Durchführung von vibrationsaufgelöster MATI-Spektroskopie aufgebaut worden. Die erreichte Auflösung beträgt 7 Wellenzahlen und ist sehr gut in Bezug auf den Standardwert von 10 Wellenzahlen, wie er typischerweise bei entsprechendem Aufbau in der MATI-Spektroskopie erreicht wird. Es wird desweiteren gezeigt, wie die MATI-Signalintensität durch Erhöhung der Laser-leistung gesteigert werden kann, ohne daß ein Verlust an Auflösungsvermögen eintritt. Die MATI-Signalstärke er-reichte durch Erhöhung der Pumplaserleistung einen Wert, der das Fünfzigfache des Wertes beträgt, der unter herkömlichen Bedingungen erhalten wird. Mit dem beschrie-benen Aufbau und der Möglichkeit, die Signalintensität zu steigern, sind MATI-Spektren von Toluol, p-Xylol und Ethylbenzol aufgenommen worden. Die Anregung fand dabei über bisher nicht verwendete Zwischenzustände statt, so daß neue MATI-Peaks der genannten Substanzen gemessen werden konnten. Im Falle des Ethylbenzols sind auf diese Weise Geometrieveränderungen beim Übergang in den kationischen Zustand festgestellt worden

Pulsed electron beams in ion mobility spectrometry

Ion mobility spectrometry is a well-known technique used to analyze trace gases in ambient air. Typically, it works by employing a radioactive source to provide electrons with high energy to ionize the analytes in a series of chemical reactions. During the past ten years non-radioactive sources have been one of the subjects of interest in ion mobility spectrometry, initially in order to replace radioactive sources as a result of general security and regulatory concerns. Among these non-radioactive sources especially pulsed sources have recently been shown to additionally improve the analytic information provided by ion mobility spectrometers. In this review we will describe the progress regarding the application of pulsed non-radioactive electron sources in ion mobility spectrometry and show the recent analytical advances that have been achieved by using pulsed electron beams

Quantitative information in decay curves obtained with a pulsed ion mobility spectrometer

Ion mobility spectrometry (IMS) is well known for its very high sensitivity, and thus IMS spectra are commonly used in the identification of trace gases. Extracting quantitative information from IMS spectra is, in contrast, difficult, especially regarding the reproducibility due to the nature of the processes involved in the measurement of the spectra. Here we present data extracted from signal decay curves obtained with a pulsed IMS, which can support the determination of substance concentrations in the lower ppb range with good stability. © 2012 The Royal Society of Chemistry

Investigation of ion-ion-recombination at atmospheric pressure with a pulsed electron gun

For future development of simple miniaturized sensors based on pulsed atmospheric pressure ionization as known from ion mobility spectrometry, we investigated the reaction kinetics of ion-ion-recombination to establish selective ion suppression as an easy to apply separation technique for otherwise non-selective ion detectors. Therefore, the recombination rates of different positive ion species, such as protonated water clusters H +(H 2O) n (positive reactant ions), acetone, ammonia and dimethyl-methylphosphonate ions, all recombining with negative oxygen clusters O 2 -(H 2O) n (negative reactant ions) in a field-free reaction region, are measured and compared. For all experiments, we use a drift tube ion mobility spectrometer equipped with a non-radioactive electron gun for pulsed atmospheric pressure ionization of the analytes. Both, ionization and recombination times are controlled by the duty cycle and repetition rate of the electron emission from the electron gun. Thus, it is possible to investigate the ion loss caused by ion-ion-recombination depending on the recombination time defined as the time delay between the end of the electron emission and the ion injection into the drift tube. Furthermore, the effect of the initial total ion density in the reaction region on the ion-ion-recombination rate is investigated by varying the density of the emitted electrons. © 2012 The Royal Society of Chemistry

Environmental Dimensionality Controls the Interaction of Phagocytes with the Pathogenic Fungi Aspergillus fumigatus and Candida albicans

The fungal pathogens Aspergillus fumigatus and Candida albicans are major health threats for immune-compromised patients. Normally, macrophages and neutrophil granulocytes phagocytose inhaled Aspergillus conidia in the two-dimensional (2-D) environment of the alveolar lumen or Candida growing in tissue microabscesses, which are composed of a three-dimensional (3-D) extracellular matrix. However, neither the cellular dynamics, the per-cell efficiency, the outcome of this interaction, nor the environmental impact on this process are known. Live imaging shows that the interaction of phagocytes with Aspergillus or Candida in 2-D liquid cultures or 3-D collagen environments is a dynamic process that includes phagocytosis, dragging, or the mere touching of fungal elements. Neutrophils and alveolar macrophages efficiently phagocytosed or dragged Aspergillus conidia in 2-D, while in 3-D their function was severely impaired. The reverse was found for phagocytosis of Candida. The phagocytosis rate was very low in 2-D, while in 3-D most neutrophils internalized multiple yeasts. In competitive assays, neutrophils primarily incorporated Aspergillus conidia in 2-D and Candida yeasts in 3-D despite frequent touching of the other pathogen. Thus, phagocytes show activity best in the environment where a pathogen is naturally encountered. This could explain why “delocalized” Aspergillus infections such as hematogeneous spread are almost uncontrollable diseases, even in immunocompetent individuals

Identification of a Putative Crf Splice Variant and Generation of Recombinant Antibodies for the Specific Detection of Aspergillus fumigatus

BACKGROUND: Aspergillus fumigatus is a common airborne fungal pathogen for humans. It frequently causes an invasive aspergillosis (IA) in immunocompromised patients with poor prognosis. Potent antifungal drugs are very expensive and cause serious adverse effects. Their correct application requires an early and specific diagnosis of IA, which is still not properly achievable. This work aims to a specific detection of A. fumigatus by immunofluorescence and the generation of recombinant antibodies for the detection of A. fumigatus by ELISA. RESULTS: The A. fumigatus antigen Crf2 was isolated from a human patient with proven IA. It is a novel variant of a group of surface proteins (Crf1, Asp f9, Asp f16) which belong to the glycosylhydrolase family. Single chain fragment variables (scFvs) were obtained by phage display from a human naive antibody gene library and an immune antibody gene library generated from a macaque immunized with recombinant Crf2. Two different selection strategies were performed and shown to influence the selection of scFvs recognizing the Crf2 antigen in its native conformation. Using these antibodies, Crf2 was localized in growing hyphae of A. fumigatus but not in spores. In addition, the antibodies allowed differentiation between A. fumigatus and related Aspergillus species or Candida albicans by immunofluorescence microscopy. The scFv antibody clones were further characterized for their affinity, the nature of their epitope, their serum stability and their detection limit of Crf2 in human serum. CONCLUSION: Crf2 and the corresponding recombinant antibodies offer a novel approach for the early diagnostics of IA caused by A. fumigatus

MedShapeNet -- A Large-Scale Dataset of 3D Medical Shapes for Computer Vision

Prior to the deep learning era, shape was commonly used to describe the objects. Nowadays, state-of-the-art (SOTA) algorithms in medical imaging are predominantly diverging from computer vision, where voxel grids, meshes, point clouds, and implicit surface models are used. This is seen from numerous shape-related publications in premier vision conferences as well as the growing popularity of ShapeNet (about 51,300 models) and Princeton ModelNet (127,915 models). For the medical domain, we present a large collection of anatomical shapes (e.g., bones, organs, vessels) and 3D models of surgical instrument, called MedShapeNet, created to facilitate the translation of data-driven vision algorithms to medical applications and to adapt SOTA vision algorithms to medical problems. As a unique feature, we directly model the majority of shapes on the imaging data of real patients. As of today, MedShapeNet includes 23 dataset with more than 100,000 shapes that are paired with annotations (ground truth). Our data is freely accessible via a web interface and a Python application programming interface (API) and can be used for discriminative, reconstructive, and variational benchmarks as well as various applications in virtual, augmented, or mixed reality, and 3D printing. Exemplary, we present use cases in the fields of classification of brain tumors, facial and skull reconstructions, multi-class anatomy completion, education, and 3D printing. In future, we will extend the data and improve the interfaces. The project pages are: https://medshapenet.ikim.nrw/ and https://github.com/Jianningli/medshapenet-feedbackComment: 16 page

Comparison of Experimental and Calculated Ion Mobilities of Small Molecules in Air

Ion mobility spectrometry is a well-known technique for analyzing gases. Examples are military applications, but also safety related applications, for example, for protection of employees in industries working with hazardous gases. In the last 15 years, this technique has been further developed as a tool for structural analysis, for example, in pharmaceutical applications. In particular, the collision cross section, which is related to the mobility, is of interest here. With help of theoretic principles, it is possible to develop molecular models that can be verified by the comparison of their calculated cross sections with experimental data. In this paper, it is analyzed how well the ion trajectory method is suitable to reproduce the measured ion mobility of small organic molecules such as the water clusters forming the positively charged reactant ions, simple aromatic substances, and n-alkanes

Influence of the coupling between an atmospheric pressure ion mobility spectrometer and the low pressure ion inlet of a mass spectrometer on the mobility measurement

Ion mobility spectrometers (IMS) are versatile gas analyzers. Due to their small size and robustness, combined with a very high sensitivity, they are often used in gas sensing applications such as environmental monitoring. In order to improve the selectivity, they are typically combined with a mass spectrometer (MS). Since IMS works at atmospheric pressure, and MS works at vacuum, a special interface reducing the pressure over normally two stages has to be used. In this paper the influence of this coupling of different pressure areas on the IMS signal will be analyzed with help of finite elements method simulations