Emission of a single conjugated polymer chain isolated in its single crystal monomer matrix

The excitonic luminescence of a highly ordered single conjugated polymer chain is studied by microphotoluminescence. At T< or =10 K it consists of a single Lorentzian line. The linewidth increases linearly with T between 6 and 60 K, from 350 microeV at 6 K, indicating a pure dephasing time of approximately 2 ps. Above 10 K, other neighboring regions along the chain direction start to emit at a slightly higher (by approximately 1 meV) energy. This indicates very small inhomogeneous broadening, very long chains ( > or =10 microm), and a long range and very rapid exciton energy transfer ( >10 microm in <100 ps).     

A detector telescope with charge coupled devices for particle dosimetry in space

A telescopic device with charge coupled devices (CCDs) for particle dosimetry in space has been developed. Data on ionization events of energetic particles passing the CCDs are processed in an image analyzing system of a PC. As ‘Charged Particle Telescope’ (CHAPAT), the equipment was flown on the russian space station MIR during the EUROMIR mission in 1995. The response of the CCDs to various charged particles and methods for the discrimination of heavy particles in CCDs are discussed. First results of a correlation of temporal particles fluxes to the actual orbital parameters of MIR clearly identify passages through the South Atlantic Anomaly (SAA).     

Particle detection properties of charge coupled devices

A detailed quantitative analysis of particle events observed in Charge Coupled Devices (CCDs) requires the knowledge of particle detection properties of the employed CCDs such as the detection threshold for energy deposition, efficiency for different kinds of radiation and the relation between the signal and the deposited energy inside the sensitive volume. For this purpose the CCD-chip was described by a simple geometrical model containing the effective thicknesses of the p-n semiconductor junctions dj and a covering dead layer d_T above them as parameters. The corresponding geometrical quantities were experimentally estimated to be 1.3 μm and 0.9 μm respectively by using different kinds of radiation.     

The Reclaim Screw in Mammoth Silos Operating on a Free Surface: Comparison Between Horizontal and Inclined Operation on Free Flowing Bulk Solids

Although the screw conveyor, operating on a free surface, has been used for years as reclaim and storage equipment in mammoth silos, there is no documented knowledge about its spill characteristics. Research at Delft University of Technology together with ESI Eurosilo B.V. on the inclined use of the reclaim screw to achieve homogenization in mammoth silos made this lack of knowledge apparent. This paper presents the results of experiments to gain insight into the spill during reclaiming. Experiments were conducted reclaiming a horizontal surface and up‐ and downwards along an inclined surface, using a free‐flowing bulk material. A relationship was found between the theoretical and effective fill ratio. This relationship shows a certain maximum effective fill ratio and a dependence on the reclaim‐depth. As expected, the effective fill ratio drops quickly when reclaiming upwards, mostly due to flow‐ and throwback: the fill is spilled behind the screw blades and over the axis. Unexpectedly, the effective fill ratio also decreases when reclaiming downwards due to a shift of material towards the non‐reclaiming side where it is left behind forming ridges on the surface. It is expected that all three mechanisms will cause less spill when reclaiming a cohesive material. The experiments provide the desired insight into spill mechanisms during reclaiming. Indeed, the inclined use of the reclaim screw to achieve homogenization is thought feasible when reclaiming downwards.     

Function Spaces with Exponential Weights I

In this paper we define weighted function spaces of type B^s_pq(u) and F^s_pq(u) on the Euclidean space IRⁿ, where u is a weight function of at most exponential growth. In particular, u(x) = exp(±|χ|) is an admissible weight. We prove some basic properties of these spaces, such as completeness and density of the smooth functions.     

Experiments with low-energy muons

Two experiments with low-energy muons are described: the determination of the stopping power of C, Si, Ti and Au for muons at energies down to 2 keV and the measurement of the diffusion times for pµ and dµ atoms in low-pressure (0.25–12 hPa) hydrogen gas. A pronounced Barkas effect was found for muons at the Bragg peak (about 10 keV): the stopping power for µ^– in C, e.g., is about 30% lower than that for µ⁺. The mean kinetic energy of pµ atoms at the end of the cascade in 1 hPa hydrogen gas was determined to be (2.6 ± 0.6) eV (preliminary value).     

On the local and asymptotic behavior of Brownian motion on simply connected nilpotent Lie groups

The aim of this paper is to study the local and asymptotic behavior of Brownian motion on simply connected nilpotent Lie groups. We carry over a qualitative version of the Erdös-Rényi law of large numbers for Brownian motion to simply connected step 2-nilpotent Lie groups. The method applied gives rise to a proof for qualitative results concerning the modulus of continuity of Brownian motion on simply connected step 3-resp. step 2-nilpotent Lie groups without using the Ventsel-Freidlin theory as in Baldi.     

DFT studies on coordination models for adsorption essays of Cu(II) and Ni(II) solutions in modified silica gel with iminodiacetic groups

Research in functionalized inorganic supports faces special challenges regarding the inmobilization of organic chains and efficient computational methods for the quantum chemical modeling of coordination compounds. The silylant 3-cloropropyltriethoxysilyl (R1) was anchored over silica gel in anhydrous conditions, in order to react with diethyl Iminodiacetate (DIDA) to obtain modified silica gel (R2), which was hydrolized in basic conditions previously synthesized and characterized by S _BET, TGA and FTIR spectroscopy to obtain iminodiacetic acid groups IDA to prepare an modified inorganic support (R3) that is able to get hands on metals from the first transition series such as copper and nickel. The obtained experimental values showed that the functionalized grade of R3 corresponds to 0.1598 mmol of the nitrogen indicated that the adsorbed Cu(II) or Ni(II) have the stoichiometry for both cation of 1:1. Based on this relation, the three different structures were proposed to carry out the computational studies using density functional theory (DFT) in its LDA and PW91 with the TZP slater type basis set. The primary coordination sphere of copper(II) or nickel (II) ion in R3 are optimized, structural parameters are calculated, vibrational bands are assigned and energy gaps of frontier orbital (HOMO–LUMO) have been calculated. The calculated results reproduced the experimental data with good agreement. An energy decomposition analysis (EDA) of the different models proposed here was performed and suggest a 1:1 coordination form.     

Potent "clicked" MMP2 inhibitors: synthesis, molecular modeling and biological exploration

A new series of MMP2 inhibitors is described, following a fragment-based drug design approach. One fragment containing an azide group and a well known hydroxamate Zinc Binding Group in a α-sulfone, α-tetrahydropyrane scaffold, has been synthesized. Water-LOGSY, STD and competition-STD experiments indicate that this fragment binds to the active site of the enzyme. A click chemistry reaction was used to connect the azide to lipophilic alkynes selected to interact selectively with the S1' subunit of MMP2, as shown by docking and molecular dynamic experiments of the designed compounds. The most potent compounds 18 and 19 displayed an IC(50) of 1.4 and 0.3 nM against MMP2 respectively, and showed negligible activity towards MMP1 and MMP7, two metalloproteinases which have a shallow S1' subsite. Compound 18 also showed a promising selectivity profile against some antitarget metalloproteinases, such as MMP8, and considerably less activity against MMP14 (IC(50) = 65 nM), and MMP9 (IC(50) = 98 nM), other MMPs characterized by having a deep S1' pocket and, therefore, more similar to MMP2.