The 2009 edition of the GEISA spectroscopic database

The updated 2009 edition of the spectroscopic database GEISA (Gestion et Etude des Informations Spectroscopiques Atmosphériques; Management and Study of Atmospheric Spectroscopic Information) is described in this paper. GEISA is a computer-accessible system comprising three independent sub-databases devoted, respectively, to: line parameters, infrared and ultraviolet/visible absorption cross-sections, microphysical and optical properties of atmospheric aerosols. In this edition, 50 molecules are involved in the line parameters sub-database, including 111 isotopologues, for a total of 3,807,997 entries, in the spectral range from 10⁻⁶ to 35,877.031 cm⁻¹.The successful performances of the new generation of hyperspectral sounders depend ultimately on the accuracy to which the spectroscopic parameters of the optically active atmospheric gases are known, since they constitute an essential input to the forward radiative transfer models that are used to interpret their observations. Currently, GEISA is involved in activities related to the assessment of the capabilities of IASI (Infrared Atmospheric Sounding Interferometer; http://smsc.cnes.fr/IASI/index.htm) on board the METOP European satellite through the GEISA/IASI database derived from GEISA. Since the Metop-A (http://www.eumetsat.int) launch (19 October 2006), GEISA is the reference spectroscopic database for the validation of the level-1 IASI data. Also, GEISA is involved in planetary research, i.e., modeling of Titan's atmosphere, in the comparison with observations performed by Voyager, or by ground-based telescopes, and by the instruments on board the Cassini-Huygens mission.GEISA, continuously developed and maintained at LMD (Laboratoire de Météorologie Dynamique, France) since 1976, is implemented on the IPSL/CNRS (France) “Ether” Products and Services Centre WEB site (http://ether.ipsl.jussieu.fr), where all archived spectroscopic data can be handled through general and user friendly associated management software facilities. More than 350 researchers are registered for on line use of GEISA.     

Josephson junction with a magnetic-field tunable ground state

We consider an asymmetric 0-π Josephson junction consisting of 0 and π regions of different lengths L(0) and L(π). As predicted earlier this system can be described by an effective sine-Gordon equation for the spatially averaged phase ψ so that the effective current-phase relation of this system includes a negative second harmonic ∝sin(2ψ). If its amplitude is large enough, the ground state of the junction is doubly degenerate ψ=±φ, where φ depends on the amplitudes of the first and second harmonics. We study the behavior of such a junction in an applied magnetic field H and demonstrate that H induces an additional term ∝Hcosψ in the effective current-phase relation. This results in a nontrivial ground state tunable by magnetic field. The dependence of the critical current on H allows for revealing the ground state experimentally.     

Small-molecule discovery from DNA-encoded chemical libraries

Researchers seeking to improve the efficiency and cost effectiveness of the bioactive small-molecule discovery process have recently embraced selection-based approaches, which in principle offer much higher throughput and simpler infrastructure requirements compared with traditional small-molecule screening methods. Since selection methods benefit greatly from an information-encoding molecule that can be readily amplified and decoded, several academic and industrial groups have turned to DNA as the basis for library encoding and, in some cases, library synthesis. The resulting DNA-encoded synthetic small-molecule libraries, integrated with the high sensitivity of PCR and the recent development of ultra high-throughput DNA sequencing technology, can be evaluated very rapidly for binding or bond formation with a target of interest while consuming minimal quantities of material and requiring only modest investments of time and equipment. In this tutorial review we describe the development of two classes of approaches for encoding chemical structures and reactivity with DNA: DNA-recorded library synthesis, in which encoding and library synthesis take place separately, and DNA-directed library synthesis, in which DNA both encodes and templates library synthesis. We also describe in vitro selection methods used to evaluate DNA-encoded libraries and summarize successful applications of these approaches to the discovery of bioactive small molecules and novel chemical reactivity.     

Trapped electron coupled to superconducting devices

We propose to couple a trapped single electron to superconducting structures located at a variable distance from the electron. The electron is captured in a cryogenic Penning trap using electric fields and a static magnetic field in the tesla range. Measurements on the electron will allow investigating the properties of the superconductor such as vortex structure, damping and decoherence. We propose to couple a superconducting microwave resonator to the electron in order to realize a circuit QED-like experiment, as well as to couple superconducting Josephson junctions or superconducting quantum interferometers (SQUIDs) to the electron. The electron may also be coupled to a vortex which is situated in a double well potential, realized by nearby pinning centers in the superconductor, acting as a quantum mechanical two level system that can be controlled by a transport current tilting the double well potential. The electron may also be coupled to a single vortex, thus hybridizing an elementary excitation of a superconductor and an elementary particle.     

Manipulation of polarization-dependent multivortices with quasi-periodic subwavelength structures

Multiple vortices with different topological charges are formed by the use of two sequential geometric phase elements. These elements are realized by quasi-periodic subwavelength gratings. The first element is a spiral phase element and the second element is a spherical phase element. We provide a theoretical analysis and an experimental demonstration of the formation of the multiple vortices that comprise scalar vortices and a vectorial vortex.     

Sensing the Molecular Structures of Hexan-2-one by Internal Rotation and Microwave Spectroscopy

Using two molecular jet Fourier transform spectrometers, the microwave spectrum of hexan-2-one, also called methyl n-butyl ketone, was recorded in the frequency range from 2 to 40 GHz. Three conformers were assigned and fine splittings caused by the internal rotations of the two terminal methyl groups were analyzed. For the acetyl methyl group CH₃ COC₃H₆CH₃, the torsional barrier is 186.9198(50) cm⁻¹, 233.5913(97) cm⁻¹, and 182.2481(25) cm⁻¹ for the three observed conformers, respectively. The value of this parameter could be linked to the structure of the individual conformer, which enabled us to create a rule for predicting the barrier height of the acetyl methyl torsion in ketones. The very small splittings arising from the internal rotation of the butyl methyl group CH₃COC₃H₆ CH₃ could be resolved as well, yielding the respective torsional barriers of 979.99(88) cm⁻¹, 1016.30(77) cm⁻¹, and 961.9(32) cm⁻¹.     

Growth mechanism, microstructure and transport properties of Sr1−x La x CuO2 (x=0.10−0.15) thin films

Sr_1−x La _x CuO₂ (x=0.10−0.15) thin films with an infinite-layer type structure were grown on BaTiO₃ buffered (001) SrTiO₃ substrates by pulsed laser deposition (PLD). The evolution of the growth front was monitored, in-situ, by high-pressure reflection high-energy electron diffraction (RHEED), while the surface morphology was analyzed by means of atomic force microscopy (AFM), ex-situ. X-ray diffraction (XRD) was used to determine the evolution of the film structure with deposition and cooling parameters, as well as to study the type and level of epitaxial strain in the Sr_1−x La _x CuO₂ films. The RHEED data showed that the Sr_1−x La _x CuO₂ films grow on BaTiO₃/SrTiO₃ following a 2D or Stranski-Krastanov mechanism, depending on the La doping level. The transition point (critical thickness d _c) from layer-by-layer like (2D) to island (3D) growth depends on the film stoichiometry: decreasing the La doping concentration x from 0.15 to 0.10, the critical thickness d _c increases from ∼45 nm to ∼75 nm. In order to induce superconductivity, the Sr_1−x La _x CuO₂ films were cooled down under reduction conditions. The as-deposited films showed semiconducting or metallic behavior, the resistivity decreasing with increasing La concentration. Post-deposition vacuum annealing resulted in a superconducting transition onset (but no zero resistance down to 4.2 K) only for some of the x=0.15 Sr_1−x La _x CuO₂ films.     

Assignment, fit, and theoretical discussion of the ν10 band of acetaldehyde near 509 cm

The lowest small-amplitude vibration in acetaldehyde (CH₃CHO) is the in-plane aldehyde scissors mode ν₁₀ at 509 cm⁻¹. This mode lies about 175 cm⁻¹ above the top of the barrier to internal rotation of the methyl group and is relatively well separated from other small-amplitude vibrational states (the next fundamental occurring more than 250 cm⁻¹ higher). It thus provides an excellent example of an isolated small-amplitude fundamental (bright state) embedded in a bath of dark states. Since the bath states at these energies are not too dense, and since they arise purely from states of the large-amplitude torsional vibration of the methyl rotor, a detailed spectroscopic analysis of interactions between the bright state and the bath states should be possible. This paper represents the first step toward that goal. We have assigned several thousand transitions in the ν₁₀ band (J ? 28, K ? 12), and have carried out a simultaneous fit of 2400 of these transitions (J ? 15, K ? 9) with over 8100 transitions to the torsional bath state levels. Three vibration-torsion interactions, which give rise to rather global level shifts of the order of 1 cm⁻¹ in the ν₁₀ levels, have been identified and quantitatively fit. A number of vibration-torsion-rotation interactions, which give rise to localized (avoided-crossing) shifts in ν₁₀ have also been determined. The present analysis indicates the need for reliable spectroscopic information on more of the torsional bath states in the immediate vicinity of the ν₁₀ levels. Possible ways of obtaining such information in future studies are considered.