TY - GEN A1 - Simon, Franz-Georg A1 - Holm, Olaf ED - Ludwig, C. ED - Matasci, C. ED - Edelmann, X. T1 - Recovery of metals from waste, an example for the resource cycle N2 - Bottom ash from municipal solid waste incineration (MSWI) consists of eiemental metals in considerable amounts. The fine fraction < 4 mm additionally contains chemically bound metals (oxides, carbonates, Silicates). Separation prospects with techniques as in ore processing (flotation, density separation, bioleaching, hydrothermal solution) are discussed. During alteration after wet extraction mineral material with hydraulic properties form coatings on almost all particles of the bottom ash and complicate separation procedures. ln addition bottom ash from MSWI is a heterogeneaus material. For sufficient enrichment different concerted treatment steps seemed to be essential associated with an uncertainty of economic viability. The utilisation of metal compounds present in bottom ash as secondary raw material depends on the energy- and resource-efficiency of the enrichment processes. Therefore energy and material flow considerations are presented. KW - Recyclable material KW - Recycling technology KW - Waste management PY - 2015 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-347572 UR - http://infoscience.epfl.ch/record/213010 SN - 978-3-9521409-6-3 SP - 289 EP - 293 AN - OPUS4-34757 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ye, S. A1 - Loll, B. A1 - Berger, A. A1 - Mülow, Ulrike A1 - Alings, C. A1 - Wahl, M. A1 - Koksch, B. T1 - Fluorine teams up with water to restore inhibitor activity to mutant BPTI N2 - Introducing fluorine into molecules has a wide range of effects on their physicochemical properties, often desirable but in most cases unpredictable. The fluorine atom imparts the C–F bond with low polarizability and high polarity, and significantly affects the behavior of neighboring functional groups, in a covalent or noncovalent manner. Here, we report that fluorine, present in the form of a single fluoroalkyl amino acid side chain in the P1 position of the well-characterized serine-protease inhibitor BPTI, can fully restore inhibitor activity to a mutant that contains the corresponding hydrocarbon side chain at the same site. High resolution crystal structures were obtained for four BPTI variants in complex with bovine b-trypsin, revealing changes in the stoichiometry and dynamics of water molecules in the S1 subsite. These results demonstrate that the introduction of fluorine into a protein environment can result in “chemical complementation” that has a significantly favorable impact on protein–protein interactions. KW - serine-protease inhibitor KW - crystal structures KW - Peptide synthesis PY - 2015 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-358987 DO - https://doi.org/10.1039/C4SC03227F IS - 9 SP - 5246 EP - 5254 PB - Royal Society of Chemistry CY - Cambridge AN - OPUS4-35898 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Geilert, Sonja A1 - Vogl, Jochen A1 - Rosner, M. A1 - Voerkelius, S. A1 - Eichert, T. T1 - Boron isotope fractionation in bell pepper N2 - Various plant compartments of a single bell pepper plant were studied to verify the variability of boron isotope composition in plants and to identify possible intra-plant isotope fractionation. Boron mass fractions varied from 9.8 mg/kg in the fruits to 70.0 mg/kg in the leaves. Boron (B) isotope ratios reported as δ11B ranged from -11.0‰ to +16.0‰ (U ≤ 1.9‰, k=2) and showed a distinct trend to heavier δ11B values the higher the plant compartments were located in the plant. A fractionation of Δ11Bleaf-roots = 27‰ existed in the studied bell pepper plant, which represents about about 1/3 of the overall natural boron isotope variation (ca. 80‰). Two simultaneous operating processes are a possible explanation for the observed systematic intra-plant δ11B variation: 1) B is fixed in cell walls in its tetrahedral form (borate), which preferentially incorporates the light B isotope and the remaining xylem sap gets enriched in the heavy B isotope and 2) certain transporter preferentially transport the trigonal 11B-enriched boric acid molecule and thereby the heavy 11B towards young plant compartments which were situated distal of the roots and typically high in the plant. Consequently, an enrichment of the heavy 11B isotope in the upper young plant parts located at the top of the plant could explain the observed isotope systematic. The identification and understanding of the processes generating systematic intra-plant δ11B variations will potentially enable the use of B isotope for plant metabolism studies. KW - Boron isotopes KW - Bell pepper KW - Boron transport KW - Boron isotope fractionation KW - Intra-plant isotope variability KW - Plants KW - Bell KW - Pepper KW - Isotope fractionation PY - 2015 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-352289 DO - https://doi.org/10.4172/mso.1000101 VL - 1 IS - 1 SP - Article 1000101, 1 EP - 6 AN - OPUS4-35228 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hornemann, A. A1 - Eichert, D. A1 - Flemig, Sabine A1 - Ulm, G. A1 - Beckhoff, B. T1 - Qualifying label components for effective biosensing using advanced high-throughput SEIRA methodology N2 - The need for technological progress in bio-diagnostic assays of high complexity requires both fundamental research and constructing efforts on nano-scaled assay recognition elements that can provide unique selectivity and design-enhanced sensitivity features. Nanoparticle induced sensitivity enhancement and its application related to multiplexed capability Surface-Enhanced InfraRed Absorption (SEIRA) assay formats are well suitable for these purposes. The potential of diverse fluorophore–antibody conjugates, being chemisorbed onto low-cost gold nanoparticulate SEIRA substrates, has been explored with respect to their spectral discriminability. These novel biolabels deliver molecular SEIRA fingerprints that have been successfully analyzed by both uni- and multivariate analyzing tools, to discriminate their multiplexing capabilities. We show that this robust spectral encoding via SEIRA fingerprints opens up new opportunities for a fast, reliable and multiplexed high-end screening in biodiagnostics. KW - SEIRA methodology KW - bio-diagnostic KW - nanotechnology PY - 2015 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-351389 DO - https://doi.org/10.1039/C4CP05944A SN - 1463-9076 SN - 1463-9084 VL - 17 IS - 14 SP - 9471 EP - 9479 PB - The Royal Soc. of Chemistry CY - Cambridge AN - OPUS4-35138 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Prager, Jens A1 - Grzeszkowski, M. T1 - Online-Überwachung des Bauteilzustandes von Eisenbahn-Radsatzwellen mitels geführter Ultraschallwellen N2 - Online-Strukturüberwachungssysteme sind eine Möglichkeit, den Anforderungen hinsichtlich Leichtbau und Zuverlässigkeit gleichzeitig gerecht zu werden. Die Integration solcher Systeme liefert aktuelle Informationen über die Integrität der sicherheitsrelevanten Struktur, wodurch sich Aussagen über notwendige Instandhaltungsarbeiten und möglicherweise über die zu erwartende Restlebensdauer ableiten lassen. Der zielgerichtete Einsatz der Überwachungssysteme ermöglicht es somit, die benötigten Sicherheitsfaktoren bei der Auslegung der Bauteile zu reduzieren und Wartungsintervalle zu verlängern. Dadurch können Kosten gesenkt werden, ohne die Zuverlässigkeit zu verringern. Im Rahmen einer Studie zur Machbarkeit eines Online-Überwachungssystems für Eisenbahn-Radsatzwellen wurde der Einsatz geführter Ultraschallwellen, die von Sensoren an einer Stirnseite der Wellen angeregt werden, demonstriert. Aufgrund der Bauteilgeometrie und der dispersiven, multimodalen Wellenausbreitung stellt die Interpretation der Echosignale eine wesentliche Herausforderung dar. Basierend auf dem a-priori-Wissen über die Wellenausbreitung wurden in der Studie klassifizierende Auswertealgorithmen entwickelt und erfolgreich an maßstabsgetreuen Labormodellen getestet. T2 - DACH-Jahrestagung 2015 CY - Salzburg, Austria DA - 11.05.2015 KW - Strukturüberwachung KW - Ultraschallprüfung KW - Zerstörungsfreie Prüfung PY - 2015 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-331931 SN - 978-3-940283-68-9 IS - DGZfP BB 152 SP - Poster 61, 1 EP - 2 PB - Deutsche Gesellschaft für Zerstörungsfreie Prüfung (DGZfP) AN - OPUS4-33193 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Fischer, Franziska A1 - Scholz, G. A1 - Batzdorf, Lisa A1 - Wilke, Manuel A1 - Emmerling, Franziska T1 - Synthesis, structure determination, and formation of a theobromine: oxalic acid 2:1 cocrystal N2 - The structure and the formation pathway of a new theobromine : oxalic acid (2 : 1) cocrystal are presented. The cocrystal was synthesised mechanochemically and its structure was solved based on the powder X-ray data. The mechanochemical synthesis of this model compound was studied in situ using synchrotron XRD. Based on the XRD data details of the formation mechanism were obtained. The formation can be described as a self-accelerated ('liquid like') process from a highly activated species. KW - ssNMR spectroscopy KW - Synchrotron measurements KW - API molecule PY - 2015 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-331567 DO - https://doi.org/10.1039/c4ce02066a SN - 1466-8033 VL - 17 IS - 4 SP - 824 EP - 829 CY - London, UK AN - OPUS4-33156 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Mielke, Johannes A1 - Hanke, F. A1 - Peters, M.V. A1 - Hecht, S. A1 - Persson, M. A1 - Grill, L. T1 - Adatoms underneath single porphyrin molecules on Au(111) N2 - The adsorption of porphyrin derivatives on a Au(111) surface was studied by scanning tunneling microscopy and spectroscopy at low temperatures in combination with density functional theory calculations. Different molecular appearances were found and could be assigned to the presence of single gold adatoms bonded by a coordination bond underneath the molecular monolayer, causing a characteristic change of the electronic structure of the molecules. Moreover, this interpretation could be confirmed by manipulation experiments of individual molecules on and off a single gold atom. This study provides a detailed understanding of the role of metal adatoms in surface–molecule bonding and anchoring and of the appearance of single molecules, and it should prove relevant for the imaging of related molecule–metal systems. PY - 2015 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-324144 UR - http://pubs.acs.org/doi/pdf/10.1021/ja510528x DO - https://doi.org/10.1021/ja510528x SN - 0002-7863 SN - 1520-5126 VL - 137 IS - 5 SP - 1844 EP - 1849 PB - American Chemical Society CY - Washington, DC AN - OPUS4-32414 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Krause, Christina A1 - Zorn, R. A1 - Frick, B. A1 - Schönhals, Andreas T1 - Quasi- and inelastic neutron scattering to investigate the molecular dynamics of discotic molecules in the bulk N2 - In- and quasielastic neutron scattering is employed to investigate both the vibrational density of states and the molecular dynamics of two homologous discotic liquid crystals (DLC) with different length of the alkyl side chain based on a triphenylene derivate. For both compounds characteristic low frequency excess contributions to the vibrational density of states are found. Therefore it is concluded that these liquid crystals show a glass-like behaviour. Elastic scans further show that in these materials a rich molecular dynamics takes place. T2 - QENS/WINS 2014 - 11th International Conference on Quasielastic Neutron Scattering and 6th International Workshop on Inelastic Neutron Spectrometers CY - Autrans, France DA - 2014-05-11 PY - 2015 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-325477 DO - https://doi.org/10.1051/epjconf/20158302017 SN - 2100-014X VL - 83 SP - 02017-1 EP - 02017-4 PB - EDP Sciences CY - Les Ulis AN - OPUS4-32547 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Prager, Jens A1 - Heide, M. A1 - Homann, Patrick Tobias A1 - Grzeszkowski, M. A1 - Gaal, Mate A1 - Dohse, Elmar T1 - Einseitig-berührungslose Ultraschallprüfung von Klebeverbindungen N2 - Durch den Einsatz von faserverstärkten Kunststoffen und Multi-Material-Konstruktionen zur Gewichtsreduzierung erlangen Klebeverbindungen immer stärkere Bedeutung. Die Prüfung dieser Fügeverbindungen stellt neue Anforderungen an die zerstörungsfreie Prüfung. Hinzu kommt, dass die Zugänglichkeit häufig eingeschränkt und die Verwendung flüssiger Koppelmittel aufgrund konstruktiver oder fertigungstechnischer Gegebenheiten ausgeschlossen ist. Unter Berücksichtigung dieser Beschränkungen wurde ein Prüfverfahren entwickelt, das eine luftgekoppelte Anregung geführter Ultraschallwellen mit einer laserbasierten Detektion kombiniert. Nachdem das Prüfverfahren zunächst mit einer einfachen Signalauswertung im Zeitbereich getestet wurde, konnte in nachfolgenden Untersuchungen die örtliche Auflösung durch die Implementierung von Filteralgorithmen im Frequenz-Wellenzahl-Bereich und zusätzlich durch direktionale Filter erhöht werden. Das resultierende bildgebende Prüfverfahren wurde an realitätsnahen Klebeproben mit künstlichen Fehlern getestet. Die Zuverlässigkeit und Ortsauflösung des Verfahrens wurde im Vergleich mit herkömmlichen Prüfverfahren validiert. Mithilfe des Verfahrens können Poren, Einschlüsse und Bereiche mit ungenügender Verklebung detektiert werden. T2 - DACH-Jahrestagung 2015 CY - Salzburg, Austria DA - 11.05.2015 KW - Strukturüberwachung KW - Ultraschallprüfung KW - Zerstörungsfreie Prüfung PY - 2015 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-331944 SN - 978-3-940283-68-9 IS - DGZfP BB 152 SP - Mo.2.B.4, 1 EP - 7 PB - Deutsche Gesellschaft für Zerstörungsfreie Prüfung (DGZfP) AN - OPUS4-33194 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Guo, Y. A1 - Lippitz, Andreas A1 - Saftien, P. A1 - Unger, Wolfgang A1 - Kemnitz, E. T1 - Tuning the surface properties of novel ternary iron(III) fluoride-based catalysts using the template effect of the matrix N2 - Sol–gel prepared ternary FeF3–MgF2 materials have become promising heterogeneous catalysts due to their porosity and surface Lewis/Brønsted acidity (bi-acidity). Despite the good catalytic performance, nanoscopic characterisations of this type of material are still missing and the key factors controlling the surface properties have not yet been identified, impeding both a better understanding and further development of ternary fluoride catalysts. In this study, we characterised the interaction between the bi-acidic component (FeF3) and the matrix (MgF2) on the nano-scale. For the first time, the formation pathway of FeF3–MgF2 was profiled and the template effect of MgF2 during the synthesis process was discovered. Based on these new insights two novel materials, FeF3–CaF2 and FeF3–SrF2, were established, revealing that with decreasing the atomic numbers (from Sr to Mg), the ternary fluorides exhibited increasing surface acidity and surface area but decreasing pore size. These systematic changes gave rise to a panel of catalysts with tuneable surface and bulk properties either by changing the matrix alkaline earth metal fluoride or by adjusting their ratios to Fe or both. The template effect of the alkaline earth metal fluoride matrix was identified as the most probable key factor determining the surface properties and further influencing the catalytic performance in ternary fluoride based catalysts, and paves the way to targeted design of next-generation catalysts with tunable properties. KW - Catalysis KW - Surface analysis KW - XPS PY - 2015 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-327410 DO - https://doi.org/10.1039/c4dt03229b SN - 1477-9226 SN - 1477-9234 SN - 1364-5447 VL - 44 IS - 11 SP - 5076 EP - 5085 PB - RSC CY - Cambridge AN - OPUS4-32741 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -