An economical method to calculate eigenvalues of the Schroedinger Equation

The method is an extension to negative energies of a spectral integral equation method to solve the Schroedinger equation, developed previously for scattering applications. One important innovation is a re-scaling procedure in order to compensate for the exponential behaviour of the negative energy Green's function. Another is the need to find approximate energy eigenvalues, to serve as starting values for a subsequent iteration procedure. In order to illustrate the new method, the binding energy of the He-He dimer is calculated, using the He-He TTY potential. In view of the small value of the binding energy, the wave function has to be calculated out to a distance of 3000 a.u. Two hundred mesh points were sufficient to obtain an accuracy of three significant figures for the binding energy, and with 320 mesh points the accuracy increased to six significant figures. An application to a potential with two wells separated by a barrier, is also made.Comment: 19 pages, 3 figures, submitted to Eur. J. Phy

Dual Dye-Enhanced FIT2 Probes for Sequence-Specific Detection of RNA

Die Fähigkeit Nukleinsäuren in lebenden Organismen nachzuweisen und zu visualisieren, ist entscheidend für das Verständnis zellulärer Prozesse. Die Forschungsgruppe von Prof. Dr. Oliver Seitz hat zu diesem Zweck fluorogene FIT-Hybridisierungssonden entwickelt, die die besondere Eigenschaft der Cyaninfarbstoffe Thiazolorange und Chinolinblau nutzen, stärker zu fluoreszieren, wenn sie in die beengte Umgebung eines Nukleinsäureduplex aus Sonde und spezifischer Zielsequenz eingebracht werden. Obwohl FIT-Sonden eine gute Fluoreszenzverstärkung und Spezifität aufweisen, wäre eine weitere Verbesserung ihrer Helligkeit und des Signal-Hintergrund-Verhältnisses wünschenswert. Um dies zu erreichen, wurde in dieser Arbeit ein Ansatz untersucht, bei dem FIT-Sonden mit zwei Fluorophoren desselben Typs ausgestattet werden (FIT2-Strategie). Dies sollte sowohl die Helligkeit der Sonde erhöhen, als auch die Fluoreszenz im Einzelstrang und bei Hybridisierung mit fehlgepaarter RNA durch eine Mischung aus kontaktvermittelter Fluo-reszenzlöschung und strahlungsfreiem Energietransfer verringern. Verschiedene Sonden-längen, Farbstoffabstände und -positionen wurden untersucht und es konnte bestätigt werden, dass FIT2-Sonden eine höhere Extinktionskoeffizienten, größere Fluoreszenzver-stärkung und eine bessere Selektivität aufweisen als einfach markierte Sonden. Außerdem behalten sie ihre Fähigkeit zur Unterscheidung von Match- und Mismatch-Zielen in visko-sem Zelllysat besser bei. Zudem konnte gezeigt werden, dass das FIT2-Konzept durch Hinzufügen eines hybridisie-rungsunempfindlichen Cyanin 7 Farbstoffs zu den Sonden dahingehend erweitert werden kann, dass eine ratiometrische Detektion der hybridisierten Sonde möglich ist und Hellig-keitsunterschiede aufgrund von lokalen Schwankungen der Sondenkonzentration bei der Bildgebung lebender Zellen korrigiert werden können. Mit diesen qFIT2-Sonden konnten Jurkat und CCRF-CEM T-Zellen in einem Mikroskopie-basierten Experiment unterschieden werden.The ability to detect and visualize nucleic acids in living organisms is crucial for under-standing cellular processes. For this purpose, the research group of Prof. Dr. Oliver Seitz has introduced fluorogenic forced intercalation (FIT) hybridization probes, which exploit the unique property of the cyanine dyes thiazole orange and quinoline blue to exhibit increased fluorescence when placed in the constrained environment of a nucleic acid du-plex formed between probe and specific target sequence. Although FIT probes demon-strate solid fluorescence enhancement and specificity, further improvement of their abso-lute brightness and signal-to-background ratio would be desirable. To achieve this, the present thesis investigated an approach that equips FIT probes with two identical fluorophores (FIT2 strategy). This should on the one hand increase probe brightness, while simultaneously reducing fluorescence in the single strand and when hy-bridized to mismatched RNA, through a combination of contact-mediated quenching and non-radiant energy transfer. Various probe lengths, dye-dye distances and positions were screened, and it could be confirmed that FIT2 probes have higher extinction coefficients, greater fluorescence enhancement and better selectivity than their mono-dye counter-parts. Moreover, they better retain their ability to discriminate match and mismatch tar-gets in viscous cell lysate. Finally, it was demonstrated that the FIT2 concept can be extended by adding a hybridiza-tion-insensitive Cyanine 7 dye to the probes, allowing ratiometric detection of hybridized probe and correction of brightness differences due to local fluctuations in probe concen-tration during live-cell imaging. Using these qFIT2 probes, Jurkat and CCRF-CEM T-cells could be distinguished in a microscopy-based experiment

Emerging beam resonances in atom diffraction from a reflection grating

We report on the observation of emerging beam resonances, well known as Rayleigh-Wood anomalies and threshold resonances in photon and electron diffraction, respectively, in an atom-optical diffraction experiment. Diffraction of He atom beams reflected from a blazed ruled grating at grazing incidence has been investigated. The total reflectivity of the grating as well as the intensities of the diffracted beams reveal anomalies at the Rayleigh angles of incidence, i.e., when another diffracted beam merges parallel to the grating surface. The observed anomalies are discussed in terms of the classical wave-optical model of Rayleigh and Fano.Comment: 4 pages, 3 figure

Matter-wave optics: Observing an ultracold atomic cloud expanding in free fall

This Research Highlight showcases the Research Paper entitled, Collective-Mode Enhanced Matter-Wave Optics https://journals.aps.org/prl/abstract/10.1103/ PhysRevLett.127.10040

Second-harmonic phonon spectroscopy of α\alpha-quartz

We demonstrate midinfrared second-harmonic generation as a highly sensitive phonon spectroscopy technique that we exemplify using $\alpha$-quartz (SiO$_2$) as a model system. A midinfrared free-electron laser provides direct access to optical phonon resonances ranging from $350\ \mathrm{cm}^{-1}$ to $1400\ \mathrm{cm}^{-1}$. While the extremely wide tunability and high peak fields of an free-electron laser promote nonlinear spectroscopic studies---complemented by simultaneous linear reflectivity measurements---azimuthal scans reveal crystallographic symmetry information of the sample. Additionally, temperature-dependent measurements show how damping rates increase, phonon modes shift spectrally and in certain cases disappear completely when approaching$T_c=846\ \mathrm{K}$where quartz undergoes a structural phase transition from trigonal$\alpha$-quartz to hexagonal$\beta$-quartz, demonstrating the technique's potential for studies of phase transitions

Bound States and Scattering Processes in the ^4He_3 Atomic System

We present a mathematically rigorous method for solving three-atomic bound state and scattering problems. The method is well suited for applications in systems where the inter-atomic interaction is of a hard-core nature. It has been employed to obtain the ground- and excited-state energies for the Helium trimer and to calculate, for the first time, the scattering phase shifts and wave-functions for the He atom-He dimer at ultra-low energies.Comment: 9 pages, main file 21 kB, 1 eps and 4 ps figure

Second Harmonic Generation from Critically Coupled Surface Phonon Polaritons

Mid-infrared nanophotonics can be realized using sub-diffractional light localization and field enhancement with surface phonon polaritons in polar dielectric materials. We experimentally demonstrate second harmonic generation due to the optical field enhancement from critically coupled surface phonon polaritons at the 6H-SiC-air interface, employing an infrared free-electron laser for intense, tunable, and narrowband mid-infrared excitation. Critical coupling to the surface polaritons is achieved using a prism in the Otto geometry with adjustable width of the air gap, providing full control over the excitation conditions along the polariton dispersion. The calculated reflectivity and second harmonic spectra reproduce the full experimental data set with high accuracy, allowing for a quantification of the optical field enhancement. We also reveal the mechanism for low out-coupling efficiency of the second harmonic light in the Otto geometry. Perspectives on surface phonon polariton-based nonlinear sensing and nonlinear waveguide coupling are discussed

AC electric trapping of neutral atoms

We study the dynamic behavior of ultracold neutral atoms in a macroscopic ac electric trap. Confinement in such a trap is achieved by switching between two saddle-point configurations of the electric field. The gradual formation of a stably trapped cloud is observed and the trap performance is studied versus the switching frequency and the symmetry of the switching cycle. Additionally, the electric field in the trap is mapped out by imaging the atom cloud while the fields are still on. Finally, the phase-space acceptance of the trap is probed by introducing a modified switching cycle. The experimental results are reproduced using full three-dimensional trajectory calculations.Comment: 10 pages, 13 figures, updated version, added journal referenc

Direct Identification of Acetaldehyde Formation and Characterization of the Active Site in the [VPO4].+/C2H4 Couple by Gas‐Phase Vibrational Spectroscopy

The gas‐phase reaction of the heteronuclear oxide cluster [VPO4].+ with C2H4 is studied under multiple collision conditions at 150 K using cryogenic ion‐trap vibrational spectroscopy combined with electronic structure calculations. The exclusive formation of acetaldehyde is directly identified spectroscopically and discussed in the context of the underlying reaction mechanism. In line with computational predictions it is the terminal P=O and not the V=O unit that provides the oxygen atom in the barrier‐free thermal C2H4→CH3CHO conversion. Interestingly, in the course of the reaction, the emerging CH3CHO product undergoes a rather complex intramolecular migration, coordinating eventually to the vanadium center prior to its liberation. Moreover, the spectroscopic structural characterization of neutral C2H4O deserves special mentioning as in most, if not all, ion/molecule reactions, the neutral product is usually only indirectly identified.DFG, 390540038, EXC 2008: UniSysCatDFG, 234149247, SFB 1109: Molekulare Einblicke in Metalloxid-Wasser-Systeme: Strukturelle Evolution, Grenzflächen und AuflösungTU Berlin, Open-Access-Mittel - 201

Enantioselective synthesis of (R)- and (S)-2-methyl-[3,3,2-2H3] alanines

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/72262/1/j.1399-3011.1986.tb03295.x.pd