A perceptually optimised bivariate visualisation scheme for high-dimensional fold-change data

Visualising data as diagrams using visual attributes such as colour, shape, size, and orientation is challenging. In particular, large data sets demand graphical display as an essential step in the analysis. In order to achieve comprehension often different attributes need to be displayed simultaneously. In this work a comprehensible bivariate, perceptually optimised visualisation scheme for high-dimensional data is proposed and evaluated. It can be used to show fold changes together with confidence values within a single diagram. The visualisation scheme consists of two parts: a uniform, symmetric, two-sided colour scale and a patch grid representation. Evaluation of uniformity and symmetry of the two-sided colour scale was performed in comparison to a standard RGB scale by twenty-five observers. Furthermore, the readability of the generated map was validated and compared to a bivariate heat map scheme.

     

Compound formation in Ni/In thin film systems

Interface compound formation in Ni/In film couples has been studied by means of the PAC method using radioactive¹¹¹In probe atoms. Subsequent occurrence of the compounds Ni₁₀In₂₇, Ni₂In₃, NiIn and Ni₃In has been observed after isochronal annealing. Interdiffusion was found to start at temperatures about 250K whereby Ni propagates into the In film.     

Carbon-13 NMR. The analysis of the relaxation times T1 of benzofuran and of a series of its methyl derivatives. Correlations between molecular motions and structural properties

Carbon-13 relaxation times (T₁) and nuclear Overhauser enhancements (η) have been measured for benzofuran and a series of its methyl derivatives. The contributions of dipolar (T₁ ^DD) and spin rotation (T₁^SR) mechanisms have both been determined. The temperature dependence of T₁ has been studied. The relationships between molecular motions and structural properties have been emphasized. The overall motional anisotropy of the benzofuran molecule is increased by substitution in positions 2 and 5. The internal rotation of a methyl group may change depending on its position in the molecule and on the influence of other methyl groups in its close neighbourhood.     

Comparaison des transformations polyreactionnelles induites par les chlorure et bromure de pyridinium : Cas de l'hexanediol-1,6

Pyridinium chloride and bromide react with 1,6-hexanediol through a complex multireactional chain process mostly furnishing unsaturated hydrocarbons, cyclic ethers, unsaturated halides and unsaturated alcohols. The similar transformations undergone by 5-hexene-1-ol and 1-hexanol under the same conditions suggest several hypotheses about the mechanism. Several original assignments from ¹³C NMR data were involved in determining the structures of the products.     

Electric field gradient at111In on Cu (100) surfaces and its utilization for indium surface diffusion

The electric field gradient at¹¹¹In probe atoms on Cu (100) surfaces was studied. At clean surfaces all probes are exposed to a well-defined surface field gradient. This is used to investigate indium surface diffusion, where the applied PAC method allows to observe diffusion steps on an atomistic scale. The jump rate for indium on Cu (100) was found to be in the order of 10^–3 Hz at 200 K.     

1H NMR. Interaction of lanthanide salts with phenols in basic solutions

Lanthanide salt induced shifts in the NMR spectra of phenols are found to increase in basic media. The empirical relationships governing the interaction of phenolic hydroxyl groups, reported earlier, still apply.     

Synthesis and NMR characterization of a dioxa-analog of benzo[a]pyrene: The 1-benzopyrano[6,5,4-mna]-xanthene (1,6-dioxabenzo[a]pyrene)

1,6-Dioxabenzo[a]pyrene, the first dioxa-analog of benzo[a]pyrene, was synthesized from 5-methoxy-1-naphthol in an eight-step reaction involving two peri-heterocyclizations.     

A Functional Hexaphenylbenzene Library Comprising of One,Three, and Six Peripheral Rylene-Diimide Substituents

Synthesis and characterization of a series of rylene-diimide substituted hexaphenylbenzenes (HPBs) is presented. The direct connection of the rylene-diimide units to the HPBs via the imide-N-position without any linkers as well as the use of naphthalene-diimides (NDIs) next to perylene-diimides (PDIs) is unprecedented. While mono-substituted products were obtained by imidization reactions with amino-HPB and the respective rylene-monoimides, key step for the formation of tri- and hexa-substituted HPBs is the Co-catalysed cyclotrimerization. Particular emphasis for physic-chemical characterization was on to the number of NDIs/PDIs per HPB and the overall substitution patterns. Lastly, Scholl oxidation conditions were applied to all HPB systems to generate the corresponding hexa-peri-hexabenzocoronenes (HBCs). Importantly, the efficiency of the transformation strongly depends on the number of NDIs/PDIs. While three rylene-diimide units already hinder the Scholl reaction, the successful synthesis of mono-substituted HBCs is possible.