Material Discrimination in Nanoparticle Hetero-Aggregates by Analysis of Scanning Transmission Electron Microscopy Images

Hetero-contacts are interfaces between different materials at the nanoscale leading to novel functional properties. In hetero-aggregates, primary particles of at least two different materials are mixed at primary particle or cluster level. Double flame spray pyrolysis (DFSP) is a versatile technique for the controlled synthesis of such materials. Characterization of hetero-aggregates by scanning transmission electron microscopy (STEM) requires acquisition and evaluation of many aggregate images in order to derive statistically significant results. Usually, STEM energy dispersive X-ray spectroscopy (EDXS) is used to acquire elemental maps providing the material distribution of the primary particles within hetero-aggregates. However, the acquisition of a single EDXS map takes up to several minutes. For this reason, determination of material types of primary particles from the intensity in high-angle annular dark field STEM images alone is desirable. These images can be acquired within a couple of seconds. In the present work, a method is suggested which allows for achieving this objective. It can be applied to distinguish materials with a significant difference in their atomic number and hence sufficient material contrast in the STEM images.     

The application of some beam-foil measurements for Co I and Co II to the cobalt photospheric abundance

The mean lives of a number of energy levels in Co I and Co II have been measured. Particular attention has been paid to the energy loss incurred by the ions in the foil, which was found to be somewhat larger than the loss forecast by Lindhard's theory.A-values derived for Co I (using relativegA-values from the literature) are found to be significantly lower than those reported previously by other authors. Fair agreement is obtained for Co II with theA-values forecast by Warner. The Co IA-values indicate that the cobalt solar abundance given by Goldberget al. (LogN _Co=4.64) should be increased to about 4.9.     

Experiences with the Application of QSAR in the Routine of the Notification Procedure

Abstract

On behalf of the Umweltbundesamt the Fraunhofer Gesellschaft has developed a software system (SAR-system) comprising more than 90 estimation models for endpoints relevant in environmental risk assessment. These estimation models are based on the approach of quantitative structure-activity relationships (QSAR). All models were checked for their validity and application range. In the last months the Umweltbundesamt started to test the applicability of some models concerning the endpoints fish acute toxicity, daphnia acute toxicity and ready (i.e., ultimate) biodegradability in the daily routine of the notification procedure. For testing these models the corresponding confidential data given in the dossiers of substances notified 1993 in Germany, were used. We were able to make calculations for 36% of the notified substances. For the remaining 64% of the chemicals it was impossible to accomplish SAR estimations due to several reasons, e.g., ionic structure of the compounds. Different results for the applicability of the mentioned endpoints are obtained. The predictions of the fish and Daphnia toxicity are in sufficient agreement with the experimental results, in case of the fish toxicity we receive 58% agreement, for the Daphnia toxicity 56% The corresponding values which were obtained in the US EPA/E.C. Joint Project on the evaluation of (quantitative) structure activity relationships were 82.3% and 70.9% About 300 different models were used for the calculations of these endpoints within the framework of the EPA/EC project. The SAR-system presented here contains 8 models for estimating the fish toxicity and 6 models for the Daphnia toxicity. For the prediction of the biodegradability the results obtained with the SAR-system are rather poor and have to be improved. Meanwhile the SAR-system is commercially available and can be ordered at the Fraunhofer Institute for Environmental Chemistry and Ecotoxicology, Schmallenberg (Germany).     

Nickel‐Catalyzed C?H Alkylations: Direct Secondary Alkylations and Trifluoroethylations of Arenes

A versatile nickel catalyst allowed for C H alkylations of unactivated arenes with challenging secondary alkyl bromides and chlorides. The high catalytic efficacy also set the stage for direct secondary alkylations of indoles as well as C H trifluoroethylations with ample substrate scope.     

Weakly Hamiltonian-connected locally semicomplete digraphs

We characterize weakly hamiltonian-connected locally semicomplete digraphs. Our result extends those of Thomassen. (J. Combinatorial Theory B 28 (1980), 142–163) for tournaments. © 1996 John Wiley & Sons, Inc.     

Anionic polymerization methods: An efficient tool for the synthesis of tailor-made macromolecules

The criteria of livingness, as applied to anionic polymerizations, are discussed. A number of restrictions have to be taken into consideration, if anionic polymerizations are to be applied to the synthesis of model polymers, Several examples of synthesis of tailor-made polymers via anionic polymerization are presented, namely end-functionalizations, chain extensions, end-to-end cyclizations, block copolymer synthesis, grafting processes, methods to make star polymers. In each case the reliability of the methods is discussed thoroughly.     

Orientational phenomena in comb-shaped liquid crystal polymers induced by laser beam irradiation

Action of the laser illumination on optical properties of liquid crystalline (LC) comb-shaped acrylic and methacrylic copolymers containing cyanobiphenyl mesogenic groups and azo dye fragments has been studied. Under an illumination the cis-trans configurational changes of dye fragments take place and reorientation of the side groups towards a direction perpendicular to the electric vector of the actinic light occurs. As a result the photoinduced optical birefringence (δn = 0.05-0.11) appears. The detailed study of dichrotic and optical properties of polymeric films, kinetics and relaxation of δn, as well as mechanism of orientational transformations during a laser illumination are discussed. The induced optical anisotropy of the films can be changed reversibly by rotating the electric vector of the laser beam in respect to the film that may be used in reversible optical data storage.     

Investigations on the crystallization of larger NaA and NaX zeolite crystals in the presence of triethanolamine (I). The influence of Na2O and SiO2 content

Sodium silicate-aluminate aqueous systems with various contents of Na₂O and SiO₂ containing triethanolamine were crystallized. Optimum Na₂O and SiO₂ contents have been observed to give NaA and NaX zeolite crystals with dimensions up to 80 μm. For NaA crystals the values are: ∼ 3.5 mass% Na₂O, ∼ 1.65 mass% SiO₂; for NaX crystals ∼ 2.5 mass% Na₂O, ∼ 1.5 mass% SiO₂. – The effect of other additives on crystal size is proved. – The results are discussed in terms of nucleation and growth, reaction rate, and supersaturation. Supposition are made to gain larger crystals by maintaining the excess of solute over a longer period of time.