TY - JOUR A1 - Müller, Katharina A1 - Foerstendorf, Harald A1 - Steudtner, Robin A1 - Tsushima, Satoru A1 - Kumke, Michael Uwe A1 - Lefèvre, Grégory A1 - Rothe, Jörg A1 - Mason, Harris A1 - Szabó, Zoltán A1 - Yang, Ping A1 - Adam, Christian K. R. A1 - André, Rémi A1 - Brennenstuhl, Katlen A1 - Chiorescu, Ion A1 - Cho, Herman M. A1 - Creff, Gaëlle A1 - Coppin, Frédéric A1 - Dardenne, Kathy A1 - Den Auwer, Christophe A1 - Drobot, Björn A1 - Eidner, Sascha A1 - Hess, Nancy J. A1 - Kaden, Peter A1 - Kremleva, Alena A1 - Kretzschmar, Jerome A1 - Krüger, Sven A1 - Platts, James A. A1 - Panak, Petra A1 - Polly, Robert A1 - Powell, Brian A. A1 - Rabung, Thomas A1 - Redon, Roland A1 - Reiller, Pascal E. A1 - Rösch, Notker A1 - Rossberg, André A1 - Scheinost, Andreas C. A1 - Schimmelpfennig, Bernd A1 - Schreckenbach, Georg A1 - Skerencak-Frech, Andrej A1 - Sladkov, Vladimir A1 - Solari, Pier Lorenzo A1 - Wang, Zheming A1 - Washton, Nancy M. A1 - Zhang, Xiaobin T1 - Interdisciplinary Round-Robin Test on molecular spectroscopy of the U(VI) Acetate System JF - ACS omega / American Chemical Society N2 - A comprehensive molecular analysis of a simple aqueous complexing system. U(VI) acetate. selected to be independently investigated by various spectroscopic (vibrational, luminescence, X-ray absorption, and nuclear magnetic resonance spectroscopy) and quantum chemical methods was achieved by an international round-robin test (RRT). Twenty laboratories from six different countries with a focus on actinide or geochemical research participated and contributed to this scientific endeavor. The outcomes of this RRT were considered on two levels of complexity: first, within each technical discipline, conformities as well as discrepancies of the results and their sources were evaluated. The raw data from the different experimental approaches were found to be generally consistent. In particular, for complex setups such as accelerator-based X-ray absorption spectroscopy, the agreement between the raw data was high. By contrast, luminescence spectroscopic data turned out to be strongly related to the chosen acquisition parameters. Second, the potentials and limitations of coupling various spectroscopic and theoretical approaches for the comprehensive study of actinide molecular complexes were assessed. Previous spectroscopic data from the literature were revised and the benchmark data on the U(VI) acetate system provided an unambiguous molecular interpretation based on the correlation of spectroscopic and theoretical results. The multimethodologic approach and the conclusions drawn address not only important aspects of actinide spectroscopy but particularly general aspects of modern molecular analytical chemistry. Y1 - 2019 U6 - https://doi.org/10.1021/acsomega.9b00164 SN - 2470-1343 VL - 4 IS - 5 SP - 8167 EP - 8177 PB - American Chemical Society CY - Washington ER - TY - JOUR A1 - Tentschert, Jutta A1 - Jungnickel, Harald A1 - Reichardt, Philipp A1 - Leube, Peter A1 - Kretzschmar, Bernd A1 - Taubert, Andreas A1 - Luch, A. T1 - Identification of nano clay in composite polymers JF - Surface and interface analysis : an international journal devoted to the development and application of techniques for the analysis surfaces, interfaces and thin films N2 - Industrialized food production is in urgent search for alternative packaging materials, which can serve the requirements of a globalized world in terms of longer product shelf lives, reduced freight weight to decrease transport costs, and better barrier functionality to preserve its freshness. Polymer materials containing organically modified nano clay particles as additives are one example for a new generation of packaging materials with specific barrier functionality to actually hit the market. Clay types used for these applications are aluminosilicates, which belong to the mineral group of phyllosilicates. These consist of nano-scaled thin platelets, which are organically modified with quaternary ammonium compounds acting as spacers between the different clay layers, thereby increasing the hydrophobicity of the mineral additive. A variety of different organically modified clays are already available, and the use as additive for food packaging materials is one important application. To ensure valid risk assessments of emerging nano composite polymers used in the food packaging industry, exact analytical characterization of the organically modified clay within the polymer matrix is of paramount importance. Time-of-flight SIMS in combination with multivariate statistical analysis was used to differentiate modified clay reference materials from another. Time-of-flight SIMS spectra of a reference polymer plate, which contained one specific nano clay composite, were acquired. For each modified clay additive, a set of characteristic diagnostic ions could be identified, which then was used to successfully assign unknown clay additives to the corresponding reference material. Thus, the described methodology could be used to define and characterize nano clay within polymer matrices. Copyright (c) 2014 John Wiley & Sons, Ltd. KW - ToF-SIMS KW - nanoparticles KW - nano clay KW - polymer KW - food contact material Y1 - 2014 U6 - https://doi.org/10.1002/sia.5546 SN - 0142-2421 SN - 1096-9918 VL - 46 SP - 334 EP - 336 PB - Wiley-Blackwell CY - Hoboken ER -