Hypergraph polytopes

We investigate a family of polytopes introduced by E.M. Feichtner, A. Postnikov and B. Sturmfels, which were named nestohedra. The vertices of these polytopes may intuitively be understood as constructions of hypergraphs. Limit cases in this family of polytopes are, on the one end, simplices, and, on the other end, permutohedra. In between, as notable members one finds associahedra and cyclohedra. The polytopes in this family are investigated here both as abstract polytopes and as realized in Euclidean spaces of all finite dimensions. The later realizations are inspired by J.D. Stasheff ?s and S. Shnider?s realizations of associahedra. In these realizations, passing from simplices to permutohedra, via associahedra, cyclohedra and other interesting polytopes, involves truncating vertices, edges and other faces. The results presented here reformulate, systematize and extend previously obtained results, and in particular those concerning polytopes based on constructions of graphs, which were introduced by M. Carr and S.L. Devadoss.     

Wax treatment of wood slows photodegradation

Waxes and wax emulsions are one of the most important solutions for non-biocidal wood protection. Wax treated wood is designed for outdoor use, therefore it is of considerable importance to elucidate the influence of weathering on the photodegradation processes. It is presumed, that wax treatment will reduce water uptake and thus reduce or slow down photodegradation processes. In order to test this hypothesis, three types of wax emulsions at two different concentrations were vacuum impregnated into Norway spruce wood specimens: an emulsion of montan wax (LGE), an emulsion of polyethylene (WE1) and an emulsion of oxidized polyethylene (WE6) wax. The samples were exposed to artificial accelerated weathering (AAW) for 500 cycles. Before and after AAW colour, the contact angle of water and moisture content were determined. Chemical and morphological changes at exposed surfaces were also investigated with FTIR spectroscopy and SEM. In parallel, the uptake of wax emulsions and water into the axial surfaces of samples was determined with a tensiometer. The moisture content measurements showed that the best hydrophobic effect was achieved with LGE treated wood, where the lowest colour and FTIR changes were observed as well. These results were supported by tensiometer measurements as well. Presented data clearly showed that high loadings of waxes reduce or at least slow down weathering. Among tested waxes, montan wax was found the most effective.     

Concentration effects on the dynamics of liquid crystalline self-assembly: time-resolved X-ray scattering studies

A manifold of ordering transitions relevant to chemical and biological systems occur at interfaces from liquids to self-assembled soft solids like membranes or liquid crystals. In the present case, we were interested in understanding the phase transition from the microemulsion phase to the liquid crystal phase in terms of their driving forces, i.e., activation energy and entropy. The purpose of this work was to clarify the influence of concentration effects of the amphiphilic molecules on the nature of these self-assembly processes. By photosensitization of the model system (polyalkylglycolether (C(10)E(4)), water, decane, and cyclohexane) with laser dyes, we could effectively induce and control the phase transition through the absorption of optical photons. The photo transformation conditions were chosen in such a way that the system was in thermal equilibrium. By application of time-resolved photo small-angle X-ray scattering we could monitor the conversion process and demonstrate that the surfactant concentration has a direct impact on the activation energy, which is observable through the length of the induction time.     

Theoretical investigation of photoelectron spectra and magnetically induced current densities in ring-shaped transition-metal oxides

The molecular structures of cyclic group 6 transition-metal (M = Cr, Mo, W, Sg) oxides (M ₃O ₉ ^0/1?/2? ) species have been optimized at density functional theory (DFT) levels. The photoelectron spectra (PES) of M ₃O ₉ ^? (M = Cr, Mo, W) were calculated at the time-dependent DFT and approximate coupled-cluster singles doubles (CC2) levels and compared with experimental results. The CC2 calculations did not yield any reliable PES, whereas the molecular structures can be identified by comparing PES obtained at the DFT level with experiment. Magnetically induced current densities were calculated at the DFT level using the gauge-including magnetically induced current (gimic) approach. The current strengths and current pathways of the neutral M₃O₉ and the dianionic M₃O ₉ ^2? (M = Cr, Mo) oxides were investigated and analyzed with respect to a previous prediction of d-orbital aromaticity for Mo₃O₉ anions. Current-density calculations provide ring-current strengths that are used to assess the degree of aromaticity. Comparison of current-density calculations and calculations of nucleus-independent chemical shifts (NICS) shows that NICS calculations are not a reliable tool for determining the degree of aromaticity of the metal oxides.     

The gauge including magnetically induced current method

An overview of applications of the recently developed gauge including magnetically induced current method (GIMIC) is presented. The GIMIC method is used to obtain magnetically induced current densities in molecules. It provides detailed information about electron delocalization, aromatic character, and current pathways in molecules. The method has been employed in aromaticity studies on hydrocarbons, complex multi-ring organic nanorings, M?bius twisted molecules, inorganic and all-metal molecular rings and open-shell species. Recent studies on hydrogen-bonded molecules indicate that GIMIC can also be used to estimate hydrogen-bond strengths without fragmentation of the system. Preliminary results are presented on the applicability of GIMIC for investigating current transport in molecules attached to clusters simulating molecular conductivity measurements. Advantages and limitations of the GIMIC method are reviewed and discussed.     

Extragalactic background light: inventory of light throughout the cosmic history

The Extragalactic Background Light (EBL) stands for the mean surface brightness of the sky as we would see it from a representative vantage point in the intergalactic space outside of our Milky Way Galaxy. Averaged over the whole 4π solid angle it represents the collective light from all luminous matter radiated throughout the cosmic history. Part of the EBL is resolved into galaxies that, with the increasing detecting power of giant telescopes and sensitive detectors, are seen to deeper and deeper limiting magnitudes. This resolved part is now known to contribute a substantial or even the major part of the EBL. There still remains, however, the challenge of finding out to what extent galaxies too faint or too diffuse to be discerned individually, individual stars or emission by gas outside the galaxies, or – more speculatively – some hitherto unknown light sources such as decaying elementary particles are accounting for the remaining EBL. We review the recent progress that has been made in the measurement of EBL. The current photometric results suggest that there is, beyond the resolved galaxies, an EBL component that cannot be explained by diffuse galaxy halos or intergalactic stars.     

Itinerant antiferromagnetism of α-Titanium

The present study reports magnetic susceptibility, electrical resistivity and specific heat measurements on α-titanium. The experimental results indicate the existence of an anomaly in the temperature dependence of these parameters. The temperature dependence of the specific heat indicates that the anomaly observed in these parameters is a second order phase transition. The similarity between the temperature dependence of the magnetic susceptibility of α-titanium and of chromium suggests that α-titanium is an itinerant-electron antiferromagnet, such as chromium, with the Néel temperature at 276 ± 4 K.     

The magnetic behaviour of diluted CrAl alloys

Magnetic susceptibility as a function of temperature of binary CrAl alloys containing 0.7,1.07,1.35,1.59, 1.79,1.98, 2.18, 2.84, 3.74 and 4.36 at %A1 is investigated. Aluminium, by alloying, acts on the Néel temperature of pure chromium giving rise to a complicated phase diagram. The bahaviour of the magnetic susceptibility as a function of temperature, in the ordered phase, for the samples containing 1.28, 2.18 and 2.84 at %A1 is found to be temperature independent. In the paramagnetic region, for the samples containing between 1.07 and 2.84 at %A1, it is found a decrease of the magnetic susceptibility as a function of temperature.     

Phenols in whisky

Summary Twelve volatile phenols were identified in whisky by combined gas chromatography-mass spectrometry. Of these phenols 2,4-dimethylphenol was found for the first time in the aroma of whisky. The content of phenol, o-, m-, and p-cresol, guaiacol, p-ethylphenol, p-ethylguaiacol and eugenol in whiskies originating from different countries was determined by gas chromatography as their 2,4-dinitrophenyl ethers using electron capture detection. The results show that Scotch whiskies differ from others in the content of o-, m-, and p-cresol. The odour threshold values of phenols studied were determined in a 10% (v/v) ethanol-water mixture and in some cases also in the whiskies. Cresols have been found to make contribution to the aroma of Scotch whisky.Presented at the 14th International Symposium on Chromatography London, September, 1982