Non-destructive NIR-FT-Raman analyses in practice. Part II. Analyses of ''jumping'' crystals, photosensitive crystals and gems

Using an improved sampling arrangement we observed the FT Raman spectra of the different phases of a 'jumping crystal', an inositol derivative. The phase transition produced--as consequences of large changes of the unit cell constants--changes in frequency and intensity mainly of CH deformation vibrations. Photochemical reactions, usually produced with light quanta in the visible range, are not activated with the quanta from the Nd:YAG laser at 1064 nm. The Raman spectra of the 'dark' form of a dinitrobenzyl pyridine and afterwards the 'light' form, the product of its illumination in the visible range, were recorded. We could not observe changes of most bands, especially not of the NO2-vibrations; however, a new strong band appeared at 1253 cm(-1), which may be due to the expected NH-photo-isomer. Genuine gemstones and fakes can be unambiguously identified by FT Raman spectroscopy. This is especially useful for the stones whose physical properties are quite similar to those of diamonds--moissanite and zirconia. The quality of diamonds can be estimated from relative band intensities; however, this is not in complete agreement with the internationally accepted visual qualification. Synthetic diamonds produced by CVD (chemical vapor deposition) show remarkable differences from natural ones in their FT-Raman spectra.     

Asymmetric total synthesis of the indole alkaloid cyclopiazonic acid and first structure-activity data

The indole alkaloid α-cyclopiazonic acid (CPA) is one of the few known inhibitors of sarco(endo)plasmic reticulum Ca²⁺-ATPase (SERCA) besides the terpenoids thapsigargin and artemisinin. We report here the first asymmetric total synthesis of cyclopiazonic acid by a modification of the Knight synthesis, currently the most efficient route to CPA. First structure-activity data of CPA derivatives and stereoisomers are presented and will be discussed in connection with the published crystal structures of CPA-SERCA complexes.     

Analytical prediction for multiple roll systems with negative gaps

Multiple roll coaters with deformable rolls are widely spread for the coating of thin liquid films with a wet film thickness of only a few microns and below on continuous substrates. The presented analytical solution for multiple roll systems offers for the first time the possibility to predict the performance of multiple roll coaters with a nip feed system and negative gaps. The solution is based on a previously presented solution of the authors for roll pairs and extended to multiple roll systems. The results are validated with experimental data from literature and the main influencing factors of multiple roll systems are investigated. (© 2014 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Influence of drying and wetting on the wave propagation in partially saturated soils

The propagation of sound waves in Del Monte sand filled by an air-water mixture is studied by a linear model. Even if it does not include an operator to describe the hysteresis of the capillary pressure curve, hysteresis is accounted for: the wave analysis is performed for the two limit cases of main drying and main wetting. In the van Genuchten law both drying and wetting data are applied. Four waves appear: one transversal wave and three longitudinal waves. For the waves driven mainly by the skeleton it could be expected that the influence of consideration of the hysteresis in the capillary pressure curve is negligible. In contrast, the numerical results for the waves driven by the pore fluids exhibit a smaller influence than expected. (© 2014 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

PHELIX – Status and First Experiments

The high-energy high-power laser system PHELIX (Petawatt High Energy Laser for heavy Ion eXperiments) [1] is currently under construction at the Gesellschaft fuer Schwerionenforschung mbH (GSI) Darmstadt. With PHELIX GSI will offer the unique combination of a high-current, high-energy (GeV/u) heavy-ion beam with an intense laser beam. This will open the door to a variety of fundamental science issues in the field of atomic physics, plasma physics and nuclear physics. The project will gain further interest in the near future by the dramatic increase of the accelerator performance with the starting FAIR project at GSI [2]. This paper reports the current status of the project as well as the laser architecture. The proposed physics program and a first experiment carried out with PHELIX, the realization of a transient collisionally excited x-ray laser [3], will also be reviewed briefly.     

Calixarene Dimers as Host Molecules for Biologically Important Di‐ and Oligophosphates

A dimeric calixarene, with an aliphatic C₆‐bridge and six anilinium head groups at its upper rim, preferably complexes diphosphates and oligonucleotides with more than 10 bonds between both anionic moieties. Free binding energies correlate with the length of the aliphatic bridge in a roughly linear fashion. The binding event, which is monitored by fluorescence titrations and competition experiments, relies on Coulomb interactions, as opposed to a nonpolar variant with tert‐butyl instead of ammonium groups; here, hydrophobic forces prevail, rendering the calixarene dimer selective for less polar cofactors such as FAD. The best guest for the hexaanilinium dimer is found in ssDNA, which carries multiple copies of the optimal trinucleotide for maximum attraction towards the extended cationic host. The recognition event is also observed in the environment of a lipid monolayer, and provides a means to quantify dimer diphosphate interactions by measuring p/A shifts.     

On rectangular cartograms

A rectangular cartogram is a type of map where every region is a rectangle. The size of the rectangles is chosen such that their areas represent a geographic variable (e.g., population). Good rectangular cartograms are hard to generate: The area specifications for each rectangle may make it impossible to realize correct adjacencies between the regions and so hamper the intuitive understanding of the map.

We present the first algorithms for rectangular cartogram construction. Our algorithms depend on a precise formalization of region adjacencies and build upon existing VLSI layout algorithms. Furthermore, we characterize a non-trivial class of rectangular subdivisions for which exact cartograms can be computed efficiently. An implementation of our algorithms and various tests show that in practice, visually pleasing rectangular cartograms with small cartographic error can be generated effectively.