Rundschau

Ohne Zusammenfassung     

Penalized splines for smooth representation of high-dimensional Monte Carlo datasets

Detector response to a high-energy physics process is often estimated by Monte Carlo simulation. For purposes of data analysis, the results of this simulation are typically stored in large multi-dimensional histograms, which can quickly become both too large to easily store and manipulate and numerically problematic due to unfilled bins or interpolation artifacts. We describe here an application of the penalized spline technique (Marx and Eilers, 1996)  [1] to efficiently compute B-spline representations of such tables and discuss aspects of the resulting B-spline fits that simplify many common tasks in handling tabulated Monte Carlo data in high-energy physics analysis, in particular their use in maximum-likelihood fitting.     

Information and communication theory in molecular biology

The DNA sequencing efforts of the past years together with rapid progress in sequencing technology have generated a huge amount of sequence data available in public molecular databases. This recent development makes it statistically feasible to apply universal concepts from Shannon’s information theory to problems in molecular biology, e.g to use mutual information for gene mapping and phylogenetic classification. Additionally, the genetic information in the cell is continuously subject to mutations. However, it has to be passed from generation to generation with high fidelity, raising the question of existence of error protection and correction mechanisms similar to those used in technical communication systems. Finally, better understanding of genetic information processing on the molecular level in the cell can be acquired by looking for parallels to well established models in communication theory, e.g. there exist analogies between gene expression and frame synchronization.     

Global Reaction Kinetics of CO and CO2 Methanation for Dynamic Process Modeling

For the design and optimization of methfanation processes detailed modeling and simulation work is advisable. However, only a few kinetics published in literature rely on wide temperature and pressure ranges, which are prevalent at modern methanation applications with dynamic operation. Especially the simulation‐based design of methanation processes with commercial catalysts is difficult due to legal restrictions regarding the publication of kinetic data of those catalysts. In this work, rate equations for the dynamic modeling and simulation of methanation processes operating with commercial Ni/Al₂O₃ catalysts are selected, adapted, and tested in a dynamic reactor model. The results suggest that the catalyst's nickel content is an indicator for the choice of a rate equation. Testing of the equations in a reactor model meets published data for CO and CO₂ methanation and own measurements.     

Alternatives to Outdoor Daylight Illumination for Photodynamic Therapy—Use of Greenhouses and Artificial Light Sources

Daylight-mediated photodynamic therapy (daylight PDT) is a simple and pain free treatment of actinic keratoses. Weather conditions may not always allow daylight PDT outdoors. We compared the spectrum of five different lamp candidates for indoor “daylight PDT” and investigated their ability to photobleach protoporphyrin IX (PpIX). Furthermore, we measured the amount of PpIX activating daylight available in a glass greenhouse, which can be an alternative when it is uncomfortable for patients to be outdoors. The lamps investigated were: halogen lamps (overhead and slide projector), white light-emitting diode (LED) lamp, red LED panel and lamps used for conventional PDT. Four of the five light sources were able to photobleach PpIX completely. For halogen light and the red LED lamp, 5000 lux could photobleach PpIX whereas 12,000 lux were needed for the white LED lamp. Furthermore, the greenhouse was suitable for daylight PDT since the effect of solar light is lowered only by 25%. In conclusion, we found four of the five light sources and the greenhouse usable for indoor daylight PDT. The greenhouse is beneficial when the weather outside is rainy or windy. Only insignificant ultraviolet B radiation (UVB) radiation passes through the greenhouse glass, so sun protection is not needed.     

The influence of spinel and magnesia powder bed on mechanical properties of alumina sintered under air and nitrogen atmosphere

ABSTRACT

The aim of the present work was changing the surface properties of alumina ceramic via sintering of samples in spinel MgAl₂O₄ and magnesia MgO powder bed. During sintering nitrogen and air atmosphere were used; and the reference material was sintered at the same conditions but in an alumina powder bed. All samples were sintered to a density higher than 99.2% of theoretical density of alumina. In order to examine samples SEM, EDX and XRD (X-ray diffraction from 18 to 70 °2Theta) analysis were performed together with B3B flexural strength measurement. Results revealed that by sintering of alumina samples in a spinel powder bed pore-free surfaces were prepared, which had a favourable effect on B3B flexural strength. This was ascribed to the high solubility of Al³⁺ in spinel at sintering temperatures, which increases the sintering driving force. A further positive effect on B3B flexural strength was observed when samples were sintered in nitrogen instead of air.     

Reappraising the Luminescence Lifetime Distributions in Silicon Nanocrystals

The luminescence dynamics in ensembles of nanocrystals are complicated by a variety of processes, including the size-dependence of the radiative and non-radiative rates in inhomogeneous broadened samples and interparticle interactions. This results in a non-exponential decay, which for the specific case of silicon nanocrystals (SiNCs) has been widely modeled with a Kohlrausch or “stretched exponential” (SE) function. We first derive the population decay function for a luminescence decay following exp[??(t/τ)^β]. We then compare the distributions and mean times calculated by assuming that either the luminescence decay or the population decay follows this function and show that the results are significantly different for β much below 1. We then apply these two types of SE functions as well as other models to the luminescence decay data from two thermally grown SiNC samples with different mean sizes. The mean lifetimes are strongly dependent on the experimental setup and the chosen fitting model, none of which appears to adequately describe the ensemble decay dynamics. Frequency-resolved spectroscopy (FRS) techniques are then applied to SiNCs in order to extract the lifetime distribution directly. The rate distribution has a half width of ~?0.5 decades and mainly resembles a somewhat high-frequency-skewed lognormal function. The combination of TRS and FRS methods appear best suited to uncovering the luminescence dynamics of NC materials having a broad emission spectrum.