Violation of the Wiedemann-Franz law in a single-electron transistor

We study the influence of Coulomb interaction on the thermoelectric transport coefficients for a metallic single-electron transistor. By performing a perturbation expansion up to second order in the tunnel-barrier conductance, we include sequential and cotunneling processes as well as quantum fluctuations that renormalize the charging energy and the tunnel conductance. We find that Coulomb interaction leads to a strong violation of the Wiedemann-Franz law: the Lorenz ratio becomes gate-voltage dependent for sequential tunneling, and is increased by a factor 9/5 in the cotunneling regime. Finally, we suggest a measurement scheme for an experimental realization.     

Copolymerisation properties of siloxy‐substituted bis(indenyl)zirconocene catalysts: modified rheological behaviour

The combination of the copolymerisation ability and vinyl end group selectivity of siloxy substitution of ethylene‐bridged bis(indenyl)zirconium dichlorides suggest these catalyst as potential ones for the production of polyethylene containing small amounts of long chain branching. The role of the polymerisation conditions with these highly active catalysts can clearly be seen. Furthermore low contents of multiple branches may occur, even though the probability of attaching several macromonomers into one chain is low. The effect on melt rheological behaviour depends on both the amount of long chain branching and the length of the branch. Moreover the position of the siloxy group is very important. Polymers synthesized with catalysts, where the siloxy group is in position 1, give peculiar rheological behaviour resembling cross‐linked networks although the polymers are completely soluble.     

On- and off-resonance spin-lock MR imaging of normal human brain at 0.1 T: possibilities to modify image contrast

The aim of the present investigation was to determine spin lock (SL) relaxation parameters for the normal brain tissues and thus, to provide basis for optimizing the imaging contrast at 0.1 T. 68 healthy volunteers were included. On-resonance spin lock relaxation time (T_1ρ) and off-resonance spin lock relaxation parameters (T_1ρ^off, M_e/M_o), MT parameters (T_1sat, M_s/M_o), and T₁, T₂ were determined for the cortical gray matter, and for the frontal and parietal white matters. The T_1ρ for the frontal and parietal white matters ranged from 110 to 133 ms and from 122 to 155 ms with locking field strengths from 50 μT to 250 μT, respectively. Accordingly, the values for the gray matter ranged from 127 to 155 ms. With a locking field strength of 50 μT, T_1ρ^off for the frontal and parietal white matters were from 114 to 217 ms and from 126 to 219 ms, and for the gray matter from 136 to 267 ms with the angle between the effective magnetic field (B_eff) and the z-axis (θ) ranging from 60° to 15°, respectively. The T_1ρ of the white and gray matters increased significantly with increasing locking field amplitude (p < 0.001). The T_1ρ^off decreased significantly with increasing θ (p < 0.001). T_1ρ and T_1ρ^off with θ ≥ 30° were statistically significantly shorter in the frontal than in the parietal white matters (p < 0.05). The duration, amplitude and θ of the locking pulse provide additional parameters to optimize contrast in brain SL imaging.     

On the Significance of the Initial Solution in Travelling Salesman Heuristics

The quality requirements set by edge exchange heuristics on their initial solutions are evaluated in connection with the travelling salesman problem. The performance of the heuristics is measured using the expected value of the best solution achievable in a certain computing time. The computational results show that the use of initial solutions generated by applying a construction heuristic, instead of random initial solutions, typically improves the performance of edge exchange heuristics. The improvement, however, is dependent on the edge exchange heuristic to be used, the properties of the problem, and the computing time available.     

Structure-activity relationships of galabioside derivatives as inhibitors of E. coli and S. suis adhesins: nanomolar inhibitors of S. suis adhesins

Four collections of Gal alpha1-4Gal derivatives were synthesised and evaluated as inhibitors of the PapG class II adhesin of uropathogenic Escherichia coli and of the P(N) and P(O) adhesins of Streptococcus suis strains. Galabiosides carrying aromatic structures at C1, methoxyphenyl O-galabiosides in particular, were identified as potent inhibitors of the PapG adhesin. Phenylurea derivatisation at C3' and methoxymethylation at O2' of galabiose provided inhibitors of the S. suis strains type P(N) adhesin with remarkably high affinities (30 and 50 nM, respectively). In addition, quantitative structure-activity relationship models for E. coli PapG adhesin and S. suis adhesin type P(O) were developed using multivariate data analysis. The inhibitory lead structures constitute an advancement towards high-affinity inhibitors as potential anti-adhesion therapeutic agents targeting bacterial infections.     

Identification of the hydrolysis products of AlCl3.6H2O by electrospray ionization mass spectrometry

The hydrolysis reactions of AlCl3 in 0.1 M aqueous solutions at pH 3.27-4.20 were monitored by electrospray ionization time-of-flight mass spectrometry (ESI-ToF MS) as a function of time. The cationic and anionic ESI mass spectra of aluminum(III) solutions gave strong evidence of the presence of a variety of monomeric and polymeric complexes. Competition between the OH- and Cl- ligands within the same aluminum core was observed. The influence of the sample cone voltage on the product distribution was also explored. The optimum sample cone voltage for the cationic spectra was 70 V. For the anionic spectra no optimum sample cone voltage was found and the appearance of the anionic spectra was strongly dependent on the sample cone voltage within the whole range explored.     

Behavior of acetonitrile confined to mesoporous silica gels as studied by 129Xe NMR: a novel method for determining the pore sizes

129Xe NMR spectra of xenon dissolved in acetonitrile confined into three mesoporous silica gels with nominal pore diameters of 40, 60, and 100 A have been measured over the temperature range 170-245 K. The spectra consist of a number of lines, which contain detailed information on the system. The most interesting result is that the chemical shift of a particular signal observed below the melting point of confined acetonitrile is highly sensitive to the pore size, and hence its shape is sensitive to the pore size distribution function. This signal originates from the xenon atoms sited in very small cavities built up inside the pores during the freezing transition. It can be used to determine the size or even the size distribution function of the pores. In addition, the emergence of this signal reveals the phase transition temperature of acetonitrile inside the pores, which can also be used to determine the size of the pores. The difference in the chemical shifts of two other signals, which arise from xenon dissolved in bulk and confined acetonitrile, provides still another novel method for determining the size of the pores.     

Relativistic spin-orbit coupling effects on secondary isotope shifts of (13)C nuclear shielding in CX(2) (X = O, S, Se, Te)

Rovibrational corrections, temperature dependence, and secondary isotope shifts of the (13)C nuclear shielding in CX(2) (X = O, S, Se, Te) are calculated taking into account the relativistic spin-orbit (SO) interaction. The SO effect is considered for the first time for the secondary isotope shifts. The nuclear shielding hypersurface in terms of nuclear displacements is calculated by using a density-functional theory method. Ab initio multiconfiguration self-consistent field calculations are done at the equilibrium geometry for comparison. (13)C NMR measurements are carried out for CS(2). The calculated results are compared with both present and earlier experimental data on CO(2), CS(2), and CSe(2). The heavy-atom SO effects on the rovibrational corrections of (13)C shielding are shown to be significant. For CSe(2) and CTe(2), reliable prediction of secondary isotope effects and their temperature dependence requires the inclusion of the SO corrections. In particular, earlier discrepancies of theory and experiment for CSe(2) are fully resolved by taking the SO interactions into account.     

Ausstrahlungsproblem des Laplace-Operators für eine Klasse der Gebiete mit unbeschränktem Rand

In this paper we prove the existence and uniqueness of a solution u satisfying the equation- u – k² y = f (k , k 0), homogeneous Dirichlet data on the boundary and a radiation condition at infinity. We consider this problem in some unbounded region with an infinite boundary for which the assumption (x) · (x) 0 holds; here denotes the exterior normal and a given field.