Evaluierung von Messmethodik und Kulturbedingungen zur Bestimmung volatiler Emissionen von Mykobakterien

Needletrap-Microextraction (NTME) und Solidphase-Microextraction wurden anhand von Messungen volatiler organischer Substanzen (VOC) im Headspace von Mycobacterium avium ssp. paratuberculosis Kulturen miteinander verglichen. Messungen mit NTME ergaben ein umfassenderes VOC-Profil. VOC-Profile von Mycobacterium avium ssp. paratuberculosis unterschieden sich signifikant bei Kultivierung auf verschiedenen Kulturmedien und sind zeit- und wachstumsabhängig. 17 VOCs wurden als potentielle generelle Markersubstanzen für Mykobakterien evaluiert

Apparent phonon side band modes in pi-conjugated systems: polymers, oligomers and crystals

The emission spectra of many pi-conjugated polymers and oligomers contain side-band replicas with apparent frequencies that do not match the Raman active mode frequencies. Using a time dependent model we show that in such many mode systems, the increased damping of the time dependent transition dipole moment correlation function results in an effective elimination of the vibrational modes from the emission spectrum; subsequently causing the appearance of a regularly spaced progression at a new apparent frequency. We use this damping dependent vibrational reshaping to quantitatively account for the vibronic structure in the emission spectra of pi-conjugated systems in the form of films, dilute solutions and single crystals. In particular, we show that by using the experimentally measured Raman spectrum we can account in detail for the apparent progression frequencies and their relative intensities in the emission spectrum.Comment: Presented in "Optical Probes 2005", Bangalore, Indi

Breakdown of the mirror image symmetry in the optical absorption/emission spectra of oligo(para-phenylene)s

The absorption and emission spectra of most luminescent, pi-conjugated, organic molecules are the mirror image of each other. In some cases, however, this symmetry is severely broken. In the present work, the asymmetry between the absorption and fluorescence spectra in molecular systems consisting of para-linked phenyl rings is studied. The vibronic structure of the emission and absorption bands is calculated from ab-initio quantum chemical methods and a subsequent, rigorous Franck-Condon treatment. Good agreement with experiment is achieved. A clear relation can be established between the strongly anharmonic double-well potential for the phenylene ring librations around the long molecular axis and the observed deviation from the mirror image symmetry. Consequences for related compounds and temperature dependent optical measurements are also discussed.Comment: 12 pages, 13 Figure

Orbital Approximation for the Reduced Bloch Equations: Fermi-Dirac Distribution for Interacting Fermions and Hartree-Fock Equation at Finite Temperature

In this paper, we solve a set of hierarchy equations for the reduced statistical density operator in a grand canonical ensemble for an identical many-body fermion system without or with two-body interaction. We take the single-particle approximation, and obtain an eigen-equation for the single-particle states. For the case of no interaction, it is an eigen-equation for the free particles, and solutions are therefore the plane waves. For the case with two-body interaction, however, it is an equation which is the extension of usual Hartre-Fock equation at zero temperature to the case of any finite temperature. The average occupation number for the single-particle states with mean field interaction is also obtained, which has the same Fermi-Dirac distribution from as that for the free fermion gas. The derivation demonstrates that even for an interacting fermion system, only the lowest $N$ orbitals, where $N$ is the number of particles, are occupied at zero temperature. In addition, their practical applications in such fields as studying the temperature effects on the average structure and electronic spectra for macromolecules are discussed.Comment: Modify the last paragraph regarding the applications of the equations Add reference

Analyse des Einflusses von rückwärts leitfähigen IGBTs auf die Leistungsfähigkeit und Lebensdauer von Dreipunktumrichtern

Im Rahmen dieser Arbeit wird der Einsatz eines neuartigen Leistungshalbleiters für den Mittel- und Hochspannungsbereich und die sich daraus ergebenden Vor- und Nachteile analysiert. Hierbei liegt der Fokus auf der Leistungsfähigkeit und der Lebensdauer des untersuchten Leistungshalbleiters in verschiedenen Dreipunktumrichtertopologien

Beitrag zur sensorgestützten Positionsbestimmung und Navigation autonomer Roboter

Bauwerke unterliegen aufgrund ständiger Beanspruchungen einer Degradation. Daraus resultierende Schäden können durch regelmäßige Prüfungen reduziert werden, die aber sehr zeit- und kostenintensiv sind. Durch den Einsatz automatisiert agierender Flugobjekte (UAV) wird eine effiziente visuelle Inspektion ermöglicht. Die Arbeit entwickelt die Grundlagen eines UAV-basierten Inspektionssystems zur Prüfung industrieller Hallen. Der Fokus liegt auf der Entwicklung einer automatisierten Routenplanung mittels Umgebungsdaten sowie der sensorbasierten Navigation im Innenbereich für kompakte UAV-Systeme

Bent-core liquid crystalline cyanostilbenes : fluorescence switching and thermochromism

The authors from ICMA greatly appreciate financial support from the Spanish Government (MINECO-FEDER project MAT2012-38538-C03-01), the Aragon's Government and FSE (project E04) and the Jae PreDoc-CSIC (M. M.-A.) fellowship program.Fluorescent bent-core molecules, bearing one or two cyanostilbene units in the lateral structure and different positions of the cyano group (α- or β-isomers), are described with the aim of modulating the molecular packing and fluorescence properties. These compounds give rise to a variety of crystal polymorphs and bent-core liquid crystalline phases (SmCP, Colr and B6), offering the unique chance to study the fluorescence properties of the cyanostilbene structure in different phases. Experimental and computational studies elucidate geometrical and electronic properties of these bent-core structures but especially the fluorescence properties (spectral positions, quantum yields and decay curves), in a detailed comparison between diluted solutions, in dichloromethane (DCM) or poly(methylmethacrylate) (PMMA), and condensed phases. Quantum yields as high as 70% have been obtained in some diluted solutions (PMMA) and condensed phases. Remarkably, the quantum yield values depend on the position of the cyano group, being higher for β- than for the α-isomers due to the higher radiative rates and lower non-radiative rates of the former. The photophysical characterization in the condensed phase focuses on RT studies with solid samples and different processing, and show that, upon aggregation, interactions between the cyanostilbene groups result in changes of the emission spectra and dynamics compared to the diluted systems in DCM and PMMA, giving rise to H-aggregations of varying strength. Furthermore, the compounds exhibit thermochromism, showing a green-yellow fluorescence in the pristine crystalline phase that changes to blue on heating to the liquid crystal phase. This journal isPostprintPeer reviewe

Stabilizing and Modulating Color by Copigmentation: Insights from Theory and Experiment

Natural anthocyanin pigments/dyes and phenolic copigments/co-dyes form noncovalent complexes, which stabilize and modulate (in particular blue, violet, and red) colors in flowers, berries, and food products derived from them (including wines, jams, purees, and syrups). This noncovalent association and their electronic and optical implications constitute the copigmentation phenomenon. Over the past decade, experimental and theoretical studies have enabled a molecular understanding of copigmentation. This review revisits this phenomenon to provide a comprehensive description of the nature of binding (the dispersion and electrostatic components of π–π stacking, the hydrophobic effect, and possible hydrogen-bonding between pigment and copigment) and of spectral modifications occurring in copigmentation complexes, in which charge transfer plays an important role. Particular attention is paid to applications of copigmentation in food chemistry.P.T. thanks the “Conseil Régional du Limousin” for financial support and CALI (CAlcul en LImousin). Financial support from the Czech Science Foundation (P208/12/G016), the Ministry of Education, Youth and Sports of the Czech Republic (project LO1305), and the Operational Program Education for Competitiveness-European Social Fund (project CZ.1.07/2.3.00/20.0058 of the Ministry of Education, Youth and Sports of the Czech Republic) is also gratefully acknowledged. The work at IMDEA was supported by the Spanish Ministerio de Economía y Competitividad (MINECO; project CTQ2014-58801)

Probing the molecular orientation of a single conjugated polymer via nano-gap SERS

Determining the molecular orientation at the single molecule level is of key importance for a wide range of applications ranging from molecular electronic devices to biomedical applications. In this work surface-enhanced Raman scattering (SERS) was used to probe the light-emitting conjugated polymer F8-PFB at the single molecule level using nanoparticles on an extended metallic film nanogap. The directional field enhancement of the nanogap combined with density functional theory (DFT) calculations was used to determine the orientation of the molecule. This analysis revealed that the spin-coated conjugated polymer preferentially aligns its molecular chains parallel to the metallic substrate. The integration of this approach in nanofabrication and synthesis will have a profound impact on different fields ranging from molecular electronic devices to biomedical applications