TY - JOUR A1 - Belsey, N. A. A1 - Cant, D. J. H. A1 - Minelli, C. A1 - Araujo, J. R. A1 - Bock, B. A1 - Brüner, P. A1 - Castner, D. G. A1 - Ceccone, G. A1 - Counsell, J. D. P. A1 - Dietrich, Paul M. A1 - Engelhardt, M. H. A1 - Fearn, S. A1 - Galhardo, C. E. A1 - Kalbe, H. A1 - Kim, J. W. A1 - Lartundo-Rojas, L. A1 - Luftman, H. S. A1 - Nunney, T. S. A1 - Pseiner, J. A1 - Smith, E. F. A1 - Spampinato, V. A1 - Sturm, J. M. A1 - Thomas, A. G. A1 - Treacy, J. P. W. A1 - Veith, L. A1 - Wagstaffe, M. A1 - Wang, H. A1 - Wang, M. A1 - Wang, Y.-C. A1 - Werner, W. A1 - Yang, L. A1 - Shard, A. G. T1 - Versailles Project on Advanced Materials and Standards Interlaboratory Study on Measuring the Thickness and Chemistry of Nanoparticle Coatings Using XPS and LEIS N2 - We report the results of a Versailles Project on Advanced Materials and Standards (VAMAS) interlaboratory study on the measurement of the shell thickness and chemistry of nanoparticle coatings. Peptide-coated gold particles were supplied to laboratories in two forms: a colloidal suspension in pure water and particles dried onto a silicon wafer. Participants prepared and analyzed these samples using either X-ray photoelectron spectroscopy (XPS) or low energy ion scattering (LEIS). Careful data analysis revealed some significant sources of discrepancy, particularly for XPS. Degradation during transportation, storage, or sample preparation resulted in a variability in thickness of 53%. The calculation method chosen by XPS participants contributed a variability of 67%. However, variability of 12% was achieved for the samples deposited using a single method and by choosing photoelectron peaks that were not adversely affected by instrumental transmission effects. The study identified a need for more consistency in instrumental transmission functions and relative sensitivity factors since this contributed a variability of 33%. The results from the LEIS participants were more consistent, with variability of less than 10% in thickness, and this is mostly due to a common method of data analysis. The calculation was performed using a model developed for uniform, flat films, and some participants employed a correction factor to account for the sample geometry, which appears warranted based upon a simulation of LEIS data from one of the participants and comparison to the XPS results. KW - VAMAS KW - Interlaboratory Study KW - Nanoparticle coating KW - XPS KW - LEIS KW - shell thicknss and chemistry PY - 2016 UR - http://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.6b06713 U6 - https://doi.org/10.1021/acs.jpcc.6b06713 IS - 120 SP - 24070 EP - 24079 PB - ACS Publications AN - OPUS4-38428 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lin, R. A1 - Li, X. A1 - Krajnc, A. A1 - Li, Z. A1 - Li, M. A1 - Wang, W. A1 - Zhuang, L. A1 - Smart, S. A1 - Zhu, Z. A1 - Appadoo, D. A1 - Harmer, J. R. A1 - Wang, Z. A1 - de Oliveira Guilherme Buzanich, Ana A1 - Beyer, S. A1 - Wang, L. A1 - Mali, G. A1 - Bennett, T. D. A1 - Chen, V. A1 - Hou, J. T1 - Mechanochemically Synthesised Flexible Electrodes Based on Bimetallic Metal–Organic Framework Glasses for the Oxygen Evolution Reaction N2 - The melting behaviour of metal–organic frameworks (MOFs) has aroused significant research interest in the areas of materials science, condensed matter physics and chemical engineering. This work first introduces a novel method to fabricate a bimetallic MOF glass, through meltquenching of the cobalt-based zeolitic imidazolate Framework (ZIF) [ZIF-62(Co)] with an adsorbed ferric coordination complex. The high-temperature chemically reactive ZIF-62-(Co) liquid facilitates the formation of coordinative bonds between Fe and imidazolate ligands, incorporating Fe nodes into the framework after quenching. The resultant Co–Fe bimetallic MOF glass therefore shows a significantly enhanced oxygen evolution reaction performance. The novel bimetallic MOF glass, when combined with the facile and scalable mechanochemical synthesis technique for both discrete powders and surface coatings on flexible substrates, enables significant opportunities for catalytic device Assembly KW - Electrodes KW - MOF KW - OER KW - XANES KW - XAS KW - Bimetallic frameworks PY - 2022 U6 - https://doi.org/10.1002/anie.202112880 VL - 61 IS - 4 SP - e202112880 PB - Wiley AN - OPUS4-54018 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kim, K. J. A1 - Kim, A. S. A1 - Jang, J. S. A1 - Suh, J. K. A1 - Wirth, Thomas A1 - Hodoroaba, Vasile-Dan A1 - Unger, Wolfgang A1 - Araujo, J. R. A1 - Archanjo, B. S. A1 - Galhardo, C. E. A1 - Damasceno, J. A1 - Achete, C. A. A1 - Wang, H. A1 - Wang, M. A1 - Bennett, J. A1 - Simons, D. A1 - Kurokawa, A. A1 - Terauchi, S. A1 - Fujimoto, T. A1 - Streeck, C. A1 - Beckhoff, B. A1 - Spencer, S. A1 - Shard, A. T1 - Measurement of mole fractions of Cu, In, Ga and Se in Cu(In,Ga)Se2 films N2 - CCQM key comparison K-129 for the quantitative analysis of Cu(In,Ga)Se2 (CIGS) films has been performed by the Surface Analysis Working Group (SAWG) of the Consultative Committee for Amount of Substance (CCQM). The objective of this key comparison is to compare the equivalency of the National Metrology Institutes (NMIs) and Designated Institutes (DIs) for the measurement of mole fractions of Cu, In, Ga and Se in a thin CIGS film. The measurand of this key comparison is the average mole fractions of Cu, In, Ga and Se of a test CIGS alloy film in the unit of mole fraction (mol/mol). Mole fraction with the metrological unit of mol/mol can be practically converted to atomic fraction with the unit of at%. In this key comparison, a CIGS film with certified mole fractions was supplied as a reference specimen to determine the relative sensitivity factors (RSFs) of Cu, In, Ga and Se. The mole fractions of the reference specimen were certified by isotope dilution - inductively coupled plasma/mass spectrometry (ID-ICP/MS) and are traceable to the SI. A total number counting (TNC) method was recommended as a method to determine the signal intensities of the constituent elements acquired in the depth profiles by Secondary Ion Mass Spectrometry (SIMS), X-ray Photoelectron Spectroscopy (XPS) and Auger Electron Spectroscopy (AES). Seven NMIs and one DI participated in this key comparison. The mole fractions of the CIGS films were measured by depth profiling based-SIMS, AES and XPS. The mole fractions were also measured by non-destructive X-Ray Fluorescence (XRF) Analysis and Electron Probe Micro Analysis (EPMA) with Energy Dispersive X-ray Spectrometry (EDX). In this key comparison, the average degrees of equivalence uncertainties for Cu, In, Ga and Se are 0.0093 mol/mol, 0.0123 mol/mol, 0.0047 mol/mol and 0.0228 mol/mol, respectively. These values are much smaller than that of Fe in a Fe-Ni alloy film in CCQM K-67 (0.0330 mol/mol). This means that the quantification of multi-element alloy films is possible by depth profiling analysis using the TNC method. KW - CIGS KW - Key comparison KW - CCQM KW - SIMS KW - XPS KW - AES KW - XRF KW - EPMA PY - 2016 UR - http://iopscience.iop.org/article/10.1088/0026-1394/53/1A/08011 U6 - https://doi.org/10.1088/0026-1394/53/1A/08011 SN - 0026-1394 SN - 1681-7575 VL - 53, Technical Supplement SP - Article 08011, 1 EP - 19 PB - IOP Publishing AN - OPUS4-38110 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kim, K.J. A1 - Kim, C.S. A1 - Ruh, S. W. A1 - Unger, Wolfgang A1 - Radnik, Jörg A1 - Mata-Salazar, J. A1 - Juarez-Garcia, J.M. A1 - Cortazar-Martinez, O. A1 - Herrera-Gomez, A. A1 - Hansen, P.E. A1 - Madesen, J.S. A1 - Senna, C.A. A1 - Archanjo, B.S. A1 - Damasceno, J.C. A1 - Achete, C.A. A1 - Wang, H. A1 - Wang, M. A1 - Windover, D. A1 - Steel, E. A1 - Kurokawa, A. A1 - Fujimoto, T. A1 - Azuma, Y. A1 - Terauchi, S. A1 - Zhang, L. A1 - Jordaan, W.A. A1 - Spencer, S.J. A1 - Shard, A.G. A1 - Koenders, L. A1 - Krumrey, M. A1 - Busch, I. A1 - Jeynes, C. T1 - Thickness measurement of nm HfO2 films N2 - A pilot study for the thickness measurement of HfO2 films was performed by the Surface Analysis Working Group (SAWG) of the Consultative Committee for Amount of Substance (CCQM). The aim of this pilot study was to ensure the equivalency in the measurement capability of national metrology institutes for the thickness measurement of HfO2 films. In this pilot study, the thicknesses of six HfO2 films with nominal thickness from 1 nm to 4 nm were measured by X-ray Photoelectron Spectroscopy (XPS), X-ray Reflectometry(XRR), X-ray Fluorescence Analysis (XRF), Transmission Electron Spectroscopy (TEM), Spectroscopic Ellipsometry (SE) and Rutherford Backscattering Spectrometry (RBS). The reference thicknesses were determined by mutual calibration of a zero-offset method (Medium Energy Ion Scattering Spectroscopy (MEIS) of KRISS) and a method traceable to the length unit (the average thicknesses of three XRR data except the thinnest film). These reference thicknesses are traceable to the length unit because they are based on the traceability of XRR. For the thickness measurement by XPS, the effective attenuation length of Hf 4f electrons was determined. In the cases of XRR and TEM, the offset values were determined from a linear fitting between the reference thicknesses and the individual data by XRR and TEM. The amount of substance of HfO2, expressed as thickness of HfO2 films (in both linear and areal density units), was found to be a good subject for a CCQM key comparison. To reach the main text of this paper, click on Final Report. The final report has been peer-reviewed and approved for publication by the CCQM. KW - Thickness measurements KW - nm films KW - X-ray Photoelectron Spectroscopy KW - Mutual calibration PY - 2021 U6 - https://doi.org/10.1088/0026-1394/58/1A/08016 SN - 0026-1394 VL - 58 IS - 1a SP - 08016 PB - IOP Publishing Lt. CY - Bristol AN - OPUS4-54175 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kim, K.J. A1 - Jang, J. S. A1 - Kim, A. S. A1 - Suh, J.K. A1 - Chung, Y.-D. A1 - Hodoroaba, Vasile-Dan A1 - Wirth, Thomas A1 - Unger, Wolfgang A1 - Kang, H. J. A1 - Popov, O. A1 - Popov, I. A1 - Kuselman, I. A1 - Lee, Y. H. A1 - Sykes, D. E. A1 - Wang, M. A1 - Wang, H. A1 - Ogiwara, T. A1 - Nishio, M. A1 - Tanuma, S. A1 - Simons, D. A1 - Szakal, C. A1 - Osborn, W. A1 - Terauchi, S. A1 - Ito, M. A1 - Kurokawa, A. A1 - Fujiimoto, T. A1 - Jordaan, W. A1 - Jeong, C. S. A1 - Havelund, R. A1 - Spencer, S. A1 - Shard, A. A1 - Streeck, C. A1 - Beckhoff, B. A1 - Eicke, A. A1 - Terborg, R. T1 - CCQM pilot study P-140: Quantitative surface analysis of multi-element alloy films N2 - A pilot study for the quantitative surface analysis of multi-element alloy films has been performed by the Surface Analysis Working Group (SAWG) of the Consultative Committee for Amount of Substance (CCQM). The aim of this pilot study is to ensure the equivalency in the measurement capability of national metrology institutes for the quantification of multi-element alloy films. A Cu(In,Ga)Se2 (CIGS) film with non-uniform depth distribution was chosen as a representative multi-element alloy film. The atomic fractions of the reference and the test CIGS films were certified by isotope dilution - inductively coupled plasma/mass spectrometry. A total number counting (TNC) method was used as a method to determine the signal intensities of the constituent elements, which are compared with their certified atomic fractions. The atomic fractions of the CIGS films were measured by various methods, such as Secondary Ion Mass Spectrometry (SIMS), Auger Electron Spectroscopy (AES), X-ray Photoelectron Spectroscopy (XPS), X-Ray Fluorescence (XRF) analysis and Electron Probe Micro Analysis (EPMA) with Energy Dispersive X-ray Spectrometry (EDX). Fifteen laboratories from eight National Metrology Institutes (NMIs), one Designated Institute (DI) and six non-NMIs participated in this pilot study. Although the average atomic fractions of 18 data sets showed rather poor relative standard deviations of about 5.5 % to 6.8 %, they were greatly improved to about 1.5 % to 2.2 % by excluding 5 strongly deviating data sets from the average atomic fractions. In this pilot study, the average expanded uncertainties of SIMS, XPS, AES, XRF and EPMA were 3.84%, 3.68%, 3.81%, 2.88% and 2.90%, respectively. These values are much better than those in the key comparison K-67 for composition of a Fe-Ni alloy film. As a result, the quantification of CIGS films using the TNC method was found to be a good candidate as a subject for a CCQM key comparison. KW - CCQM KW - Pilot study KW - Surface analysis KW - Alloy films KW - CIGS PY - 2015 U6 - https://doi.org/10.1088/0026-1394/52/1A/08017 SN - 0026-1394 SN - 1681-7575 VL - 52 IS - Technical Supplement SP - Article 08017 PB - Inst. of Physics Publ. CY - Bristol AN - OPUS4-35306 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Noble, J.E. A1 - Wang, L. A1 - Cerasoli, E. A1 - Knight, A.E. A1 - Porter, R.A. A1 - Gray, E. A1 - Howe, C. A1 - Hannes, E. A1 - Corbisier, P. A1 - Wang, J. A1 - Wu, L. A1 - Altieri, I. A1 - Patriarca, M. A1 - Hoffmann, Angelika A1 - Resch-Genger, Ute A1 - Ebert, B. A1 - Voigt, Jan A1 - Shigeri, Y. A1 - Vonsky, M.S. A1 - Konopelko, L.A. A1 - Gaigalas, A.K. A1 - Bailey, M. J. A. T1 - An international comparability study to determine the sources of uncertainty associated with a non-competitive sandwich fluorescent ELISA KW - ELISA KW - Fluorescence KW - Interferon KW - Uncertainty KW - Round Robin KW - Immunoassay KW - Quality assurance KW - Fluorescein PY - 2008 SN - 1434-6621 SN - 1437-8523 VL - 46 IS - 7 SP - 1033 EP - 1045 PB - De Gruyter CY - Berlin AN - OPUS4-18283 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Sadowski, A. A1 - Seidel, M. A1 - Al-Lawati, H. A1 - Azizi, E. A1 - Balscheit, Hagen A1 - Böhm, M. A1 - Chen, Lei A1 - van Dijk, I. A1 - Doerich-Stavridis, C. A1 - Kunle Fajuyitan, O. A1 - Filippidis, A. A1 - Winther Fischer, A. A1 - Fischer, C. A1 - Gerasimidis, S. A1 - Karampour, H. A1 - Kathirkamanathan, L. A1 - Subramanian, S. A1 - Topkaya, Cem A1 - Wagner, H. N. R. A1 - Wang, J. A1 - Wang, J. A1 - Kumar Yadav, K. A1 - Yun, X. A1 - Zhang, P. T1 - 8-MW wind turbine tower computational shell buckling benchmark - Part 1: An international ‘round-robin’ exercise N2 - An assessment of the elastic-plastic buckling limit state for multi-strake wind turbine support towers poses a particular challenge for the modern finite element analyst, who must competently navigate numerous modelling choices related to the tug-of-war between meshing and computational cost, the use of solvers that are robust to highly nonlinear behaviour, the potential for multiple near-simultaneously critical failure locations, the complex issue of imperfection sensitivity and finally the interpretation of the data into a safe and economic design. This paper reports on an international ‘round-robin’ exercise conducted in 2022 aiming to take stock of the computational shell buckling expertise around the world which attracted 29 submissions. Participants were asked to perform analyses of increasing complexity on a standardised benchmark of an 8-MW multi-strake steel wind turbine support tower segment, from a linear elastic stress analysis to a linear bifurcation analysis to a geometrically and materially nonlinear buckling analysis with imperfections. The results are a showcase of the significant shell buckling expertise now available in both industry and academia. This paper is the first of a pair. The second paper presents a detailed reference solution to the benchmark, including an illustration of the Eurocode-compliant calibration of two important imperfection forms. KW - Wind turbine tower KW - Computational KW - Shell buckling KW - Benchmark PY - 2023 U6 - https://doi.org/10.1016/j.engfailanal.2023.107124 SN - 1350-6307 VL - 148 SP - 1 EP - 23 PB - Elsevier Science CY - Oxford AN - OPUS4-57019 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bennet, Francesca A1 - Opitz, R. A1 - Ghoreishi, N. A1 - Plate, K. A1 - Barnes, J.-P. A1 - Bellew, A. A1 - Bellu, A. A1 - Ceccone, G. A1 - de Vito, E. A1 - Delcorte, A. A1 - Franquet, A. A1 - Fumageli, F. A1 - Gilliland, D. A1 - Jungnickel, H. A1 - Lee, T.G. A1 - Poleunis, C. A1 - Rading, D. A1 - Shon, H.K. A1 - Spampinato, V. A1 - Son, J.G. A1 - Wang, F. A1 - Wang, Y.-C. A. A1 - Zhao, Y. A1 - Roloff, A. A1 - Tentschert, J. A1 - Radnik, Jörg T1 - VAMAS TWA2 interlaboratory comparison: Surface analysis of TiO2 nanoparticles using ToF-SIMS N2 - Due to the extremely high specific surface area of nanoparticles and corresponding potential for adsorption, the results of surface analysis can be highly dependent on the history of the particles, particularly regarding sample preparation and storage. The sample preparation method has, therefore, the potential to have a significant influence on the results. This report describes an interlaboratory comparison (ILC) with the aim of assessing which sample preparation methods for ToF-SIMS analysis of nanoparticles provided the most intra- and interlaboratory consistency and the least amount of sample contamination. The BAM reference material BAM-P110 (TiO2 nanoparticles with a mean Feret diameter of 19 nm) was used as a sample representing typical nanoparticles. A total of 11 participants returned ToF-SIMS data,in positive and (optionally) negative polarity, using sample preparation methods of “stick-and-go” as well as optionally “drop-dry” and “spin-coat.” The results showed that the largest sources of variation within the entire data set were caused by adventitious hydrocarbon contamination or insufficient sample coverage, with the spin-coating protocol applied in this ILC showing a tendency toward insufficient sample coverage; the sample preparation method or the participant had a lesser influence on results. KW - Secondary Ion Mass Spectrometry KW - VMAAS KW - Titania KW - Interlaboratory comparison KW - Reproducibility PY - 2023 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-582290 SN - 0734-2101 VL - 41 IS - 5 SP - 053210-1 EP - 053210-13 PB - AIP (American Institute of Physics) AN - OPUS4-58229 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Sun, F. A1 - Wang, C. A1 - Osenberg, M. A1 - Dong, K. A1 - Zhang, S. A1 - Yang, C. A1 - Wang, Y. A1 - Hilger, A. A1 - Zhang, J. A1 - Dong, S. A1 - Markötter, Henning A1 - Manke, I. A1 - Cui, G. T1 - Clarifying the Electro-Chemo-Mechanical Coupling in Li10SnP2S12 based All-Solid-State Batteries N2 - A fundamental clarification of the electro-chemo-mechanical coupling at the solid–solid electrode|electrolyte interface in all-solid-state batteries (ASSBs) is of crucial significance but has proven challenging. Herein, (synchrotron) X-ray tomography, electrochemical impedance spectroscopy (EIS), time-of-flight secondary-ion mass spectrometry (TOF-SIMS), and finite element analysis (FEA) modeling are jointly used to decouple the electro-chemo-mechanical coupling in Li10SnP2S12-based ASSBs. Non-destructive (synchrotron) X-ray tomography results visually disclose unexpected mechanical deformation of the solid electrolyte and electrode as well as an unanticipated evolving behavior of the (electro)chemically generated interphase. The EIS and TOFSIMS probing results provide additional information that links the interphase/electrode properties to the overall battery performance. The modeling results complete the picture by providing the detailed distribution of the mechanical stress/strain and the potential/ionic flux within the electrolyte. Collectively, these results suggest that 1) the interfacial volume changes induced by the (electro)chemical reactions can trigger the mechanical deformation of the solid electrode and electrolyte; 2) the overall electrochemical process can accelerate the interfacial chemical reactions; 3) the reconfigured interfaces in turn influence the electric potential distribution as well as charge transportation within the SE. These fundamental discoveries that remain unreported until now significantly improve the understanding of the complicated electro-chemo-mechanical couplings in ASSBs. KW - All-solid-state batteries KW - Lithium metal batteries KW - Solid electrolytes KW - Sulfide solid electrolytes KW - Synchrotron X-ray tomography PY - 2022 U6 - https://doi.org/10.1002/aenm.202103714 SN - 1614-6832 SP - 2103714 PB - Wiley VHC-Verlag AN - OPUS4-54431 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Titirici, M. A1 - Baird, S. G. A1 - Sparks, T. D. A1 - Yang, S. M. A1 - Brandt-Talbot, A. A1 - Hosseinaei, O. A1 - Harper, D. P. A1 - Parker, R. M. A1 - Vignolini, S. A1 - Berglund, L. A. A1 - Li, Y. A1 - Gao, H.-L. A1 - Mao, L.-B. A1 - Yu, S.-H. A1 - Díez, N. A1 - Ferrero, G. A. A1 - Sevilla, M. A1 - Szilágyi, P. Á. A1 - Stubbs, C. J. A1 - Worch, J. C. A1 - Huang, Y. A1 - Luscombe, C. K. A1 - Lee, K.-Y. A1 - Luo, H. A1 - Platts, M. J. A1 - Tiwari, D. A1 - Kovalevskiy, D. A1 - Fermin, D. J. A1 - Au, H. A1 - Alptekin, H. A1 - Crespo-Ribadeneyra, M. A1 - Ting, V. P. A1 - Fellinger, Tim-Patrick A1 - Barrio, J. A1 - Westhead, O. A1 - Roy, C. A1 - Stephens, I. E. L. A1 - Nicolae, S. A. A1 - Sarma, S. C. A1 - Oates, R. P. A1 - Wang, C.-G. A1 - Li, Z. A1 - Loh, X. J. A1 - Myers, R. J. A1 - Heeren, N. A1 - Grégoire, A. A1 - Périssé, C. A1 - Zhao, X. A1 - Vodovotz, Y. A1 - Earley, B. A1 - Finnveden, G. A1 - Björklund, A. A1 - Harper, G. D. J. A1 - Walton, A. A1 - Anderson, P. A. T1 - The sustainable materials roadmap N2 - Our ability to produce and transform engineered materials over the past 150 years is responsible for our high standards of living today, especially in the developed economies. Yet, we must carefully think of the effects our addiction to creating and using materials at this fast rate will have on the future generations. The way we currently make and use materials detrimentally affects the planet Earth, creating many severe environmental problems. It affects the next generations by putting in danger the future of economy, energy, and climate. We are at the point where something must drastically change, and it must change NOW. We must create more sustainable materials alternatives using natural raw materials and inspiration from Nature while making sure not to deplete important resources, i.e. in competition with the food chain supply. We must use less materials, eliminate the use of toxic materials and create a circular materials economy where reuse and recycle are priorities. We must develop sustainable methods for materials recycling and encourage design for disassembly. We must look across the whole materials life cycle from raw resources till end of life and apply thorough life cycle assessments based on reliable and relevant data to quantify sustainability. KW - Electrochemistry KW - Fe-N-C catalysts KW - Fuel cells KW - Catalysis PY - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-550126 SN - 2515-7639 VL - 5 IS - 3 SP - 1 EP - 98 PB - IOP Publishing CY - Bristol AN - OPUS4-55012 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Prohaska, T. A1 - Irrgeher, J. A1 - Benefield, J. A1 - Böhlke, J. K. A1 - Chesson, L. A. A1 - Coplen, T. B. A1 - Ding, T. A1 - Dunn, P. J. H. A1 - Gröning, M. A1 - Holden, N. E. A1 - Meijer, H. A. J. A1 - Moossen, H. A1 - Possolo, A. A1 - Takahashi, Y. A1 - Vogl, Jochen A1 - Walczyk, T. A1 - Wang, J. A1 - Wieser, M. E. A1 - Yoneda, S. A1 - Zhu, X.-K. A1 - Meija, J. T1 - Standard atomic weights of the elements 2021 (IUPAC Technical Report) N2 - Following the reviews of atomic-weight determinations and other cognate data in 2015, 2017, 2019 and 2021, the IUPAC (International Union of Pure and Applied Chemistry) Commission on Isotopic Abundances and Atomic Weights (CIAAW) reports changes of standard atomic weights. The symbol Ar(E) was selected for standard atomic weight of an element to distinguish it from the atomic weight of an element E in a specific substance P, designated Ar(E, P). The CIAAW has changed the values of the standard atomic weights of five elements based on recent determinations of terrestrial isotopic abundances: Ar (argon): from 39.948 ± 0.001 to [39.792, 39.963] Hf (hafnium): from 178.49 ± 0.02 to 178.486 ± 0.006 Ir (iridium): from 192.217 ± 0.003 to 192.217 ± 0.002 Pb (lead): from 207.2 ± 0.1 to [206.14, 207.94] Yb (ytterbium): from 173.054 ± 0.005 to 173.045 ± 0.010 The standard atomic weight of argon and lead have changed to an interval to reflect that the natural variation in isotopic composition exceeds the measurement uncertainty of Ar(Ar) and Ar(Pb) in a specific substance. The standard atomic weights and/or the uncertainties of fourteen elements have been changed based on the Atomic Mass Evaluations 2016 and 2020 accomplished under the auspices of the International Union of Pure and Applied Physics (IUPAP). Ar of Ho, Tb, Tm and Y were changed in 2017 and again updated in 2021: Al (aluminium), 2017: from 26.981 5385 ± 0.000 0007 to 26.981 5384 ± 0.000 0003 Au (gold), 2017: from 196.966 569 ± 0.000 005 to 196.966 570 ± 0.000 004 Co (cobalt), 2017: from 58.933 194 ± 0.000 004 to 58.933 194 ± 0.000 003 F (fluorine), 2021: from 18.998 403 163 ± 0.000 000 006 to 18.998 403 162 ± 0.000 000 005 (Ho (holmium), 2017: from 164.930 33 ± 0.000 02 to 164.930 328 ± 0.000 007) Ho (holmium), 2021: from 164.930 328 ± 0.000 007 to 164.930 329 ± 0.000 005 Mn (manganese), 2017: from 54.938 044 ± 0.000 003 to 54.938 043 ± 0.000 002 Nb (niobium), 2017: from 92.906 37 ± 0.000 02 to 92.906 37 ± 0.000 01 Pa (protactinium), 2017: from 231.035 88 ± 0.000 02 to 231.035 88 ± 0.000 01 Pr (praseodymium), 2017: from 140.907 66 ± 0.000 02 to 140.907 66 ± 0.000 01 Rh (rhodium), 2017: from 102.905 50 ± 0.000 02 to 102.905 49 ± 0.000 02 Sc (scandium), 2021: from 44.955 908 ± 0.000 005 to 44.955 907 ± 0.000 004 (Tb (terbium), 2017: from 158.925 35 ± 0.000 02 to 158.925 354 ± 0.000 008) Tb (terbium), 2021: from 158.925 354 ± 0.000 008 to 158.925 354 ± 0.000 007 (Tm (thulium), 2017: from 168.934 22 ± 0.000 02 to 168.934 218 ± 0.000 006) Tm (thulium), 2021: from 168.934 218 ± 0.000 006 to 168.934 219 ± 0.000 005 (Y (yttrium), 2017: from 88.905 84 ± 0.000 02 to 88.905 84 ± 0.000 01) Y (yttrium), 2021: from 88.905 84 ± 0.000 01 to 88.905 838 ± 0.000 002 KW - Argon KW - Ciaaw.org KW - Hafnium KW - Iridium KW - Lead KW - LSVEC KW - Ytterbium PY - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-548443 SN - 0033-4545 VL - 94 IS - 5 SP - 573 EP - 600 PB - De Gruyter Verlag CY - Berlin AN - OPUS4-54844 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Westwood, S. A1 - Martos, G. A1 - Josephs, R. A1 - Choteau, T. A1 - Wielgosz, R. A1 - Davies, S. A1 - Moawad, M. A1 - Tarrant, G. A1 - Chan, B. A1 - Alamgir, M. A1 - de Rego, E. A1 - Wollinger, W. A1 - Garrido, B. A1 - Fernandes, J. A1 - de Sena, R. A1 - Oliveira, R. A1 - Melanson, J. A1 - Bates, J. A1 - Mai Le, P. A1 - Meija, J. A1 - Quan, C. A1 - Huang, T. A1 - Zhang, W. A1 - Ma, R. A1 - Zhang, S. A1 - Hao, Y. A1 - He, Y. A1 - Song, S. A1 - Wang, H. A1 - Su, F. A1 - Zhang, T. A1 - Li, H. A1 - Lam, W. A1 - Wong, W. A1 - Fung, W. A1 - Philipp, Rosemarie A1 - Dorgerloh, Ute A1 - Meyer, Klas A1 - Piechotta, Christian A1 - Riedel, Juliane A1 - Westphalen, Tanja A1 - Giannikopoulou, P. A1 - Alexopoulos, Ch. A1 - Kakoulides, E. A1 - Kitamaki, Y. A1 - Yamazaki, T. A1 - Shimizu, Y. A1 - Kuroe, M. A1 - Numata, M. A1 - Pérez-Castorena, A. A1 - Balderas-Escamilla, M. A1 - Garcia-Escalante, J. A1 - Krylov, A. A1 - Mikheeva, A. A1 - Beliakov, M. A1 - Palagina, M. A1 - Tkachenko, I. A1 - Spirin, S. A1 - Smirnov, V. A1 - Tang Lin, T. A1 - Pui Sze, C. A1 - Juan, W. A1 - Lingkai, W. A1 - Ting, L. A1 - Quinde, L. A1 - Yizhao, C. A1 - Lay Peng, S. A1 - Fernandes-Whaley, M. A1 - Prevoo-Franzsen, D. A1 - Quinn, L. A1 - Nhlapo, N. A1 - Mkhize, D. A1 - Marajh, D. A1 - Chamane, S. A1 - Ahn, S. A1 - Choi, K. A1 - Lee, S. A1 - Han, J. A1 - Baek, S. A1 - Kim, B. A1 - Marbumrung, S. A1 - Jongmesuk, P. A1 - Shearman, K. A1 - Boonyakong, C. A1 - Bilsel, M. A1 - Gündüz, S. A1 - Ün, I. A1 - Yilmaz, H. A1 - Bilsel, G. A1 - Gökçen, T. A1 - Clarkson, C. A1 - Warren, J. A1 - Achtar, E. T1 - Mass fraction assignment of Bisphenol-A high purity material N2 - The CCQM-K148.a comparison was coordinated by the BIPM on behalf of the CCQM Organic Analysis Working Group for NMIs and DIs which provide measurement services in organic analysis under the CIPM MRA. It was undertaken as a "Track A" comparison within the OAWG strategic plan. CCQM-K148.a demonstrates capabilities for assigning the mass fraction content of a solid organic compound having moderate molecular complexity, where the compound has a molar mass in the range (75 - 500) g/mol and is non-polar (pKow < −2), when present as the primary organic component in a neat organic solid and where the mass fraction content of the primary component in the material is in excess of 950 mg/g. Participants were required to report the mass fraction of Bisphenol A present in one supplied unit of the comparison material. Participants using a mass balance method for the assignment were also required to report their assignments of the impurity components present in the material. Methods used by the seventeen participating NMIs or DIs were predominantly based on either stand-alone mass balance (summation of impurities) or qNMR approaches, or the combination of data obtained using both methods. The results obtained using thermal methods based on freezing-point depression methods were also reported by a limited number of participants. There was excellent agreement between assignments obtained using all three approaches to assign the BPA content. The assignment of the values for the mass fraction content of BPA consistent with the KCRV was achieved by most of the comparison participants with an associated relative standard uncertainty in the assigned value in the range (0.1 - 0.5)%. KW - Bisphenol-A KW - Purity assessment KW - Interlaboratory key comparison KW - Metrology PY - 2021 U6 - https://doi.org/10.1088/0026-1394/58/1A/08015 VL - 58 IS - 1A SP - 08015 PB - IOP Publishing AN - OPUS4-54188 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Mi, W. A1 - Josephs, R. D. A1 - Melanson, J. E. A1 - Dai, X. A1 - Wang, Y. A1 - Zhai, R. A1 - Chu, Z. A1 - Fang, X. A1 - Thibeault, M.-P. A1 - Stocks, B. B. A1 - Meija, J. A1 - Bedu, M. A1 - Martos, G. A1 - Westwood, S. A1 - Wielgosz, R. I. A1 - Liu, Q. A1 - Teo, T. L. A1 - Liu, H. A1 - Tan, Y. J. A1 - Öztuğ, M. A1 - Saban, E. A1 - Kinumi, T. A1 - Saikusa, K. A1 - Schneider, Rudolf A1 - Weller, Michael G. A1 - Konthur, Zoltán A1 - Jaeger, Carsten A1 - Quaglia, M. A1 - Mussell, C. A1 - Drinkwater, G. A1 - Giangrande, C. A1 - Vaneeckhoutte, H. A1 - Boeuf, A. A1 - Delatour, V. A1 - Lee, J. E. A1 - O'Connor, G. A1 - Ohlendorf, R. A1 - Henrion, A. A1 - Beltrão, P. J. A1 - Naressi Scapin, S. M. A1 - Sade, Y. B. T1 - PAWG Pilot Study on Quantification of SARS-CoV-2 Monoclonal Antibody - Part 1 N2 - Under the auspices of the Protein Analysis Working Group (PAWG) of the Comité Consultatif pour la Quantité de Matière (CCQM) a pilot study, CCQM-P216, was coordinated by the Chinese National Institute of Metrology (NIM), National Research Council of Canada (NRC) and the Bureau International des Poids et Mesures (BIPM). Eleven Metrology Institutes or Designated Institutes and the BIPM participated in the first phase of the pilot study (Part 1). The purpose of this pilot study was to develop measurement capabilities for larger proteins using a recombinant humanized IgG monoclonal antibody against Spike glycoprotein of SARS-CoV-2 (Anti-S IgG mAb) in solution. The first phase of the study was designed to employ established methods that had been previously studies by the CCQM Protein Analysis Working Group, involving the digestion of protein down to the peptide or amino acid level. The global coronavirus pandemic has also led to increased focus on antibody quantitation methods. IgG are among the immunoglobulins produced by the immune system to provide protection against SARS-CoV-2. Anti-SARS-CoV-2 IgG can therefore be detected in samples from affected patients. Antibody tests can show whether a person has been exposed to the SARS-CoV-2, and whether or not they potentially show lasting immunity to the disease. With the constant spread of the virus and the high pressure of re-opening economies, antibody testing plays a critical role in the fight against COVID-19 by helping healthcare professionals to identify individuals who have developed an immune response, either via vaccination or exposure to the virus. Many countries have launched large-scale antibody testing for COVID-19. The development of measurement standards for the antibody detection of SARS-CoV-2 is critically important to deal with the challenges of the COVID-19 pandemic. In this study, the SARS-CoV-2 monoclonal antibody is being used as a model system to build capacity in methods that can be used in antibody quantification. Amino acid reference values with corresponding expanded uncertainty of 36.10 ± 1.55 mg/kg, 38.75 ± 1.45 mg/kg, 18.46 ± 0.78 mg/kg, 16.20 ± 0.67 mg/kg and 30.61 ± 1.30 mg/kg have been established for leucine, valine, phenylalanine, isoleucine and proline, respectively. Agreement between nearly all laboratories was achieved for the amino acid analysis within 2 to 2.5 %, with one participant achieving markedly higher results due to a technical issue found in their procedure; this result was thus excluded from the reference value calculations. The relatively good agreement within a laboratory between different amino acids was not dissimilar to previous results for peptides or small proteins, indicating that factors such as hydrolysis conditions and calibration procedures could be the largest sources of variability. Peptide reference values with corresponding expanded uncertainty of 4.99 ± 0.28 mg/kg and 6.83 ± 0.65 mg/kg have been established for ALPAPIEK and GPSVFPLAPSSK, respectively. Not surprisingly due to prior knowledge from previous studies on peptide quantitation, agreement between laboratories for the peptide-based analysis was slightly poorer at 3 to 5 %, with one laboratory's result excluded for the peptide GPSVFPLAPSSK. Again, this level of agreement was not significantly poorer than that achieved in previous studies with smaller or less complex proteins. To reach the main text of this paper, click on Final Report. KW - Antibody quantification KW - Amino acid analysis KW - Peptide analysis KW - Round robin test PY - 2021 U6 - https://doi.org/10.1088/0026-1394/59/1a/08001 VL - 59 IS - 1A SP - 08001 AN - OPUS4-54972 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Yang, L. A1 - Vogl, Jochen A1 - Mann, J. A1 - Kraft, R. A1 - Vocke, R. A1 - Pramann, A. A1 - Eberhardt, J. A1 - Rienitz, O. A1 - Lee, K.-S. A1 - Lim, J. S. A1 - Sobina, E. A1 - Song, P. A1 - Wang, J. A1 - Mester, Z. A1 - Meija, J. T1 - Copper isotope delta measurements in high purity materials: CCQM-P213 pilot study N2 - Accurate and precise isotope ratio measurements of heavy elements are playing an increasinglyimportant role in modern analytical sciences and have numerous applications. Today, isotope ratio measurements are typically performed with two principal techniques: thermal ionization mass spectrometry (TIMS) and multiple collector-inductively coupled plasma mass spectrometry (MC-ICP-MS). To obtain accurate results by mass spectrometry, isotopic certified reference materials (iCRMs) are needed for mass bias correction and for the validation of the method used for analysis.Thus, it is of paramount importance to achieve measurement comparability of all data reported, and to assess measurement capability of each CRM producer/National Metrology Institute (NMI). Therefore, the international comparison (CCQM-P213) was performed to assess the analytical capabilities of NMIs for the accurate determination of copper isotope ratio delta values in high purity materials. The study was proposed by the coordinating laboratories, National Research Council Canada (NRC), National Institute of Standards and Technology (NIST), Bundesanstalt für Materialforschung und -prüfung (BAM) and Physikalisch-Technische Bundesanstalt (PTB), as an activity of the Isotope Ratio Working Group (IRWG) of the Consultative Committee for Amount of Substance - Metrology in Chemistry and Biology (CCQM). Participants included six NMIs and one designated institute (DI) from the six countries. Although no measurement method was prescribed by the coordinating laboratories, MC-ICP-MS with either standard-sample bracketing (SSB) or combined SSB with internal normalization (C-SSBIN) models for mass bias correction were recommended. Results obtained from the six NMIs and one DI were in good agreement. KW - Comparability KW - Traceability KW - Metrology KW - Isotope delta KW - Copper PY - 2023 U6 - https://doi.org/10.1088/0026-1394/60/1A/08019 VL - 60 IS - 1A SP - 1 EP - 23 PB - IOP Science AN - OPUS4-58040 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Meng, M. A1 - Zhang, T. A1 - Wang, J. A1 - Cheng, Z. A1 - Yang, J. A1 - Qiao, X. A1 - Wen, J. A1 - Resch-Genger, Ute A1 - Ou, J. T1 - Fluorescence temperature sensing of NaYF4:Yb3+/Tm3+@NaGdF4:Nd3+/Yb3+ nanoparticles at low and high temperatures N2 - NaYF4:Yb3+/Tm3+@NaGdF4:Nd3+/Yb3+ upconversion nanoparticles (UCNPs) were prepared using a solvothermal method, and the effects of key factors such as the content of sensitiser Nd 3+ and Yb3+ on their luminescence properties were investigated. The nanoparticles are homogeneous in size and well dispersed. Under 808 nm excitation, it can produce strong upconversion fluorescence. At the same time, the nanoparticles have good temperature-sensing properties at the thermally coupled energy levels of 700 nm and 646 nm for Tm3+. Using its fluorescence intensity ratio (FIR), accurate temperature measurements can be performed, and it has been found that it exhibits different temperature sensing properties in low and high-temperature regions. The maximum relative sensitivity was found to be 0.88% K-1 and 1.89% K-1 for the lowtemperature region of 285 K-345 K and the high-temperature region of 345 K-495 K. The nanoparticles were applied to the internal temperature measurement of lithium batteries and the actual high-temperature environment, respectively, and were found to have good temperature measurementt performance. KW - Fluorescence KW - Sensor KW - Temperature KW - Ratiometric KW - Lanthanide KW - Quantum yield KW - Integrating sphere spectroscopy KW - Absolute fluorescence KW - Quality assurance KW - Nano KW - Particle KW - Application KW - Upconversion nanoparticle PY - 2022 U6 - https://doi.org/10.1088/1361-6528/ac84e4 SN - 1361-6528 VL - 33 IS - 34 SP - 1 EP - 15 PB - IOP Publishing CY - Bristol AN - OPUS4-55454 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Westwood, S. A1 - Josephs, R. A1 - Daireaux, A. A1 - Wielgosz, R. A1 - Davies, S. A1 - Wang, H. A1 - Rodrigues, J. A1 - Wollinger, W. A1 - Windust, A. A1 - Kang, M. A1 - Fuhai, S. A1 - Philipp, Rosemarie A1 - Kuhlich, Paul A1 - Wong, S.-K. A1 - Shimizu, Y. A1 - Pérez, M. A1 - Avila, M. A1 - Fernandes-Whaley, M. A1 - Prevoo, D. A1 - de Vos, J. A1 - Visser, R. A1 - Archer, M. A1 - LeGoff, T. A1 - Wood, S. A1 - Bearden, D. A1 - Bedner, M. A1 - Boroujerdi, A. A1 - Duewer, D. A1 - Hancock, D. A1 - Lang, B. A1 - Porter, B. A1 - Schantz, M. A1 - Sieber, J. A1 - White, E. A1 - Wise, S. A. T1 - Final report on key comparison CCQM-K55.a (estradiol): an international comparison of mass fraction purity assignment of estradiol N2 - Under the auspices of the Organic Analysis Working Group (OAWG) of the Comité Consultatif pour la Quantité de Matière (CCQM) a key comparison, CCQM K55.a, was coordinated by the Bureau International des Poids et Mesures (BIPM) in 2009/2010. Eleven national measurement institutes and the BIPM participated. Participants were required to assign the mass fraction of estradiol present as the main component in the comparison sample (CCQM-K55.a) which consisted of a bulk estradiol hemihydrate material obtained from a commercial supplier that had been extensively but not exhaustively dried prior to sub-division into the units supplied for the comparison. Estradiol was selected to be representative of the performance of a laboratory's measurement capability for the purity assignment of organic compounds of medium structural complexity [molar mass range 300–500 Da] and low polarity (pKOW < -2) for which related structure impurities can be quantified by capillary gas phase chromatography (GC) or by high performance liquid chromatography (LC). The majority of participants used a mass balance approach to determine the estradiol content. The key comparison reference value (KCRV) for estradiol in CCQM-K55.a was assigned by combination of KCRVs assigned by consensus from participant results for each orthogonal impurity class. This allowed participants to demonstrate the efficacy (or otherwise) of their implementation of the mass balance approach and to demonstrate that their assigned value for the main component agreed with the KCRV through use of internally consistent contributing methods. The KCRV for the estradiol content of the material was 984.3 mg/g with a combined standard uncertainty of 0.42 mg/g. The individual participant results showed that a relative expanded uncertainty for the purity assignment of 0.2% is a reasonable estimate of the best achievable result by an individual laboratory for a material of this complexity available in this amount at this level of purity. The relative expanded uncertainties reported by laboratories having results consistent with the KCRV ranged from 0.2% to 0.8%. The review of results that were biased from the KCRV showed that two major analytical challenges are posed by the material: the measurement of its water content and controlling for related substance artefact formation during the analysis process. The results displaying a positive bias relative to the KCRV (overestimation of estradiol content) were due to underestimation of the water content of the material, while those with a negative bias (underestimation of estradiol) overestimated the total related substance impurities through a failure to detect and control for artefact formation arising from in situ oxidative dimerization of estradiol in neutral solution prior to analysis. There was however good agreement between all participants in the identification and the quantification of the individual related structure impurities actually present in the sample. The comparison also demonstrated the utility of high-field 1H NMR for both quantitative and qualitative analysis of high purity compounds. It is noted that all the participants who used qNMR as a major or contributing technique and included it as part of, combined it or confirmed it with a conventional 'mass balance' data estimate, obtained results consistent with the KCRV. PY - 2012 U6 - https://doi.org/10.1088/0026-1394/49/1A/08009 SN - 0026-1394 SN - 1681-7575 VL - 49 IS - 1A Tech. Suppl. / 08009 SP - 1 EP - 33 PB - Inst. of Physics Publ. CY - Bristol AN - OPUS4-26411 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Meng, M. A1 - Zhang, T. A1 - Wang, J. A1 - Cheng, Z. A1 - Liu, Y. A1 - Qiao, X. A1 - Wen, J. A1 - Resch-Genger, Ute A1 - Long, W. A1 - Ou, J. T1 - NaYF4:Yb3+/Tm3+@NaYF4:Yb3+ Upconversion Nanoparticles for Optical Temperature Monitoring and Self-Heating in Photothermal Therapy N2 - The core−shell NaYF4:Yb3+/Tm3+@NaYF4:Yb3+ upconversion nanoparticles were successfully prepared by a solvothermal method, and a layer of mesoporous silica (mSiO2) was successfully coated on the periphery of the core−shell nanoparticles to transform their surface from lipophilic to hydrophilic, further expanding their applications in biological tissues. The physical phase, morphology, structure, and fluorescence properties were characterized by X-ray diffraction (XRD), field emission transmission electron microscopy (TEM), Fourier infrared spectroscopy (FT-IR), ζ potential analysis, and fluorescence spectroscopy. It was found that the material has a hexagonal structure with good hydrophilicity and emits intense fluorescence under 980 nm pump laser excitation. The non-contact temperature sensing performance of nanoparticles was evaluated by analyzing the upconversion fluorescence of Tm3+ (1G4 → 3F4 and 3F3 → 3H6) in the temperature range of 284−344 K. The absolute and relative sensitivities were found to be 0.0067 K−1 and 1.08 % K−1, respectively, with high-temperature measurement reliability and good temperature cycling performance. More importantly, its temperature measurement in phosphate-buffered saline (PBS) solution is accurate. In addition, the temperature of the cells can be increased by adjusting the laser power density and laser irradiation time. Therefore, an optical temperature sensing platform was built to realize the application of real-time monitoring of cancer cell temperature and the dual function of photothermal therapy. KW - Sensor KW - Temperature KW - Lanthanide KW - Tag KW - Fluorescence KW - Nanoparticles KW - Synthesis KW - Environment KW - Monitoring KW - Sensing KW - Nano KW - Life sciences KW - Upconversion PY - 2023 U6 - https://doi.org/10.1021/acsanm.2c05110 VL - 6 IS - 1 SP - 759 EP - 771 PB - ACS Publications AN - OPUS4-57081 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Gao, S. A1 - Hou, J. A1 - Deng, Z. A1 - Wang, T. A1 - Beyer, Sebastian A1 - de Oliveira Guilherme Buzanich, Ana A1 - Richardson, J. J. A1 - Rawal, A. A1 - Seidel, R. A1 - Zulkifli, M. Y. A1 - Li, W. A1 - Bennett, T. D. A1 - Cheetham, A. K. A1 - Liang, K. T1 - Improving the Acidic Stability of Zeolitic Imidazolate Frameworks by Biofunctional Molecules N2 - Zeolitic imidazolate frameworks (ZIFs) have been widely investigated for their use in separation, gas adsorption, catalysis, and biotechnology. Their practical applications, however, can be hampered by their structural instability in humid acidic conditions. Here, guided by density functional theory calculations, we demonstrate that the acidic stability of two polymorphic ZIFs (i.e., ZIF-8 and ZIF-L) can be enhanced by the incorporation of functional groups on polypeptides or DNA. A range of complementary synchrotron investigations into the local chemical structure and bonding environment suggest that the enhanced acidic stability arises from the newly established coordinative interactions between the Zn centers and the inserted carboxylate (for polypeptides) or phosphate (for DNA) groups, both of which have lower pKas than the imidazolate ligand. With functional biomolecular homologs (i.e., enzymes), we demonstrate a symbiotic stability reinforcement effect, i.e., the encapsulated biomolecules stabilize the ZIF matrix while the ZIF exoskeleton protects the enzyme from denaturation. KW - Zeolitic Imidazolate Frameworks KW - Biofunctional Molecules KW - X-ray Absorption Spectroscopy PY - 2019 U6 - https://doi.org/10.1016/j.chempr.2019.03.025 VL - 5 IS - 6 SP - 1597 EP - 1608 PB - Elsevier Inc. AN - OPUS4-48702 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Huang, J. A1 - Tarábek, J. A1 - Kulkarni, R. A1 - Wang, Cui A1 - Dračínský, M. A1 - Smales, Glen Jacob A1 - Pauw, Brian Richard A1 - Resch-Genger, Ute A1 - Bojdys, M. J. T1 - A π-conjugated, covalent phosphinine framework N2 - Structural modularity of polymer frameworks is a key advantage of covalent organic polymers, however, only C, N, O, Si and S have found their way into their building blocks so far. Here, we expand the toolbox available to polymer and materials chemists by one additional nonmetal, phosphorus. Starting with a building block that contains a λ⁵‐phosphinine (C₅P) moiety, we evaluate a number of polymerisation protocols, finally obtaining a π‐conjugated, covalent phosphinine‐based framework (CPF‐1) via Suzuki‐Miyaura coupling. CPF‐1 is a weakly porous polymer glass (72.4 m2 g‐1 N2 BET at 77 K) with green fluorescence (λmax 546 nm) and extremely high thermal stability. The polymer catalyzes hydrogen evolution from water under UV and visible light irradiation without the need for additional co‐catalyst at a rate of 33.3 μmol h‐¹ g‐¹. Our results demonstrate for the first time the incorporation of the phosphinine motif into a complex polymer framework. Phosphinine‐based frameworks show promising electronic and optical properties that might spark future interest in their applications in light‐emitting devices and heterogeneous catalysis. KW - Phosphinine KW - Fully aromatic frameworks KW - Suzuki-Miyaura coupling KW - Polymers KW - Fluorescence KW - Small-angle scattering PY - 2019 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-485330 SP - 2 EP - 10 PB - Wiley VCH-Verlag CY - Weinheim AN - OPUS4-48533 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Westwood, S. A1 - Josephs, R. A1 - Choteau, T. A1 - Daireaux, A. A1 - Mesquida, C. A1 - Wielgosz, R. A1 - Rosso, A. A1 - de Arechavaleta, M.R. A1 - Davies, S. A1 - Wang, H. A1 - do Rego, E.C.P. A1 - Rodrigues, J.M. A1 - de Freitas Guimaraes, E. A1 - Sousa, M.V.B. A1 - Monteiro, T.M. A1 - das Neves Valente, L.A. A1 - Violante, F.G.M. A1 - Almeida, R. R. R. A1 - Quaresma, M.C.B. A1 - Nogueira, R. A1 - Windust, A. A1 - Dai, X. A1 - Li, X. A1 - Zhang, W. A1 - Li, M. A1 - Shao, M. A1 - Wei, C. A1 - Wong, S.-K. A1 - Cabillic, J. A1 - Gantois, F. A1 - Philipp, Rosemarie A1 - Pfeifer, Dietmar A1 - Hein, Sebastian A1 - Klyk-Seitz, Urszula-Anna A1 - Ishikawa, K. A1 - Castro, E. A1 - Gonzalez, N. A1 - Krylov, A. A1 - Lin, T.T. A1 - Kooi, L.T. A1 - Fernandes-Whaley, M. A1 - Prévoo, D. A1 - Archer, M. A1 - Visser, R. A1 - Nlhapo, N. A1 - de Vos, B. A1 - Ahn, S. A1 - Pookrod, P. A1 - Wiangnon, K. A1 - Sudsiri, N. A1 - Muaksang, K. A1 - Cherdchu, C. A1 - Gören, A.C. A1 - Bilsel, M. A1 - LeGoff, T. A1 - Bearden, D. A1 - Bedner, M. A1 - Duewer, D. A1 - Hancock, D. A1 - Lang, B. A1 - Lippa, K. A1 - Schantz, M. A1 - Sieber, j. T1 - Final report on key comparison CCQM-K55.b (aldrin): An international comparison of mass friction purity assignment of aldrin N2 - Under the auspices of the Organic Analysis Working Group (OAWG) of the Comité Consultatif pour la Quantité de Matière (CCQM) a key comparison, CCQM K55.b, was coordinated by the Bureau International des Poids et Mesures (BIPM) in 2010/2011. Nineteen national measurement institutes and the BIPM participated. Participants were required to assign the mass fraction of aldrin present as the main component in the comparison sample for CCQM-K55.b which consisted of technical grade aldrin obtained from the National Measurement Institute Australia that had been subject to serial recrystallization and drying prior to sub-division into the units supplied for the comparison. Aldrin was selected to be representative of the performance of a laboratory's measurement capability for the purity assignment of organic compounds of medium structural complexity [molar mass range 300 Da to 500 Da] and low polarity (pKOW < -2) for which related structure impurities can be quantified by capillary gas phase chromatography (GC). The key comparison reference value (KCRV) for the aldrin content of the material was 950.8 mg/g with a combined standard uncertainty of 0.85 mg/g. The KCRV was assigned by combination of KCRVs assigned by consensus from participant results for each orthogonal impurity class. The relative expanded uncertainties reported by laboratories having results consistent with the KCRV ranged from 0.3% to 0.6% using a mass balance approach and 0.5% to 1% using a qNMR method. The major analytical challenge posed by the material proved to be the detection and quantification of a significant amount of oligomeric organic material within the sample and most participants relying on a mass balance approach displayed a positive bias relative to the KCRV (overestimation of aldrin content) in excess of 10 mg/g due to not having adequate procedures in place to detect and quantify the non-volatile content–specifically the non-volatile organics content–of the comparison sample. There was in general excellent agreement between participants in the identification and the quantification of the total and individual related structure impurities, water content and the residual solvent content of the sample. The comparison demonstrated the utility of 1H NMR as an independent method for quantitative analysis of high purity compounds. In discussion of the participant results it was noted that while several had access to qNMR estimates for the aldrin content that were inconsistent with their mass balance determination they decided to accept the mass balance result and assumed a hidden bias in their NMR data. By contrast, laboratories that placed greater confidence in their qNMR result were able to resolve the discrepancy through additional studies that provided evidence of the presence of non-volatile organic impurity at the requisite level to bring their mass balance and qNMR estimates into agreement. PY - 2012 U6 - https://doi.org/10.1088/0026-1394/49/1A/08014 SN - 0026-1394 SN - 1681-7575 VL - 49 IS - CCQM-K55.b Final Report October 2012 SP - 1 EP - 41 PB - Inst. of Physics Publ. CY - Bristol AN - OPUS4-26831 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Westwood, S. A1 - Josephs, R. A1 - Choteau, T. A1 - Daireaux, A. A1 - Wielgosz, R. A1 - Davies, S. A1 - Moad, M. A1 - Chan, B. A1 - Munoz, A. A1 - Conneely, P. A1 - Ricci, M. A1 - Do Rego, E.C.P. A1 - Garrido, B.C. A1 - Violante, F.G.M. A1 - Windust, A. A1 - Dai, X. A1 - Huang, T. A1 - Zhang, W. A1 - Su, F. A1 - Quan, C. A1 - Wang, H. A1 - Lo, M. A1 - Wong, W. A1 - Gantois, F. A1 - Lalerle, B. A1 - Dorgerloh, Ute A1 - Koch, Matthias A1 - Klyk-Seitz, Urszula-Anna A1 - Pfeifer, Dietmar A1 - Philipp, Rosemarie A1 - Piechotta, Christian A1 - Recknagel, Sebastian A1 - Rothe, Robert A1 - Yamazaki, T. A1 - Zakaria, O. B. A1 - Castro, E. A1 - Balderas, M. A1 - González, N. A1 - Salazar, C. A1 - Regalado, L. A1 - Valle, E. A1 - Rodríguez, L. A1 - Laguna, L.Á.. A1 - Ramírez, P. A1 - Avila, M. A1 - Ibarra, J. A1 - Valle, L. A1 - Arce, M. A1 - Mitani, Y. A1 - Konopelko, L. A1 - Krylov, A. A1 - Lopushanskaya, E. A1 - Lin, T.T. A1 - Liu, Q. A1 - Kooi, L.T. A1 - Fernandes-Whaley, M. A1 - Prevoo-Franzsen, D. A1 - Nhlapo, N. A1 - Visser, R. A1 - Kim, B. A1 - Lee, H. A1 - Kankaew, P. A1 - Pookrod, P. A1 - Sudsiri, N. A1 - Shearman, K. A1 - Gören, A.C. A1 - Bilsel, G. A1 - Yilmaz, H. A1 - Bilsel, M. A1 - Cergel, M. A1 - Coskun, F.G. A1 - Uysal, E. A1 - Gündüz, S. A1 - Ün, I. A1 - Warren, J. A1 - Bearden, D.W. A1 - Bedner, M. A1 - Duewer, D.L. A1 - Lang, B.E. A1 - Lippa, K.A. A1 - Schantz, M.M. A1 - Sieber, J.R. T1 - Final report on key comparison CCQM-K55.c (L-(+)-Valine): Characterization of organic substances for chemical purity N2 - KEY COMPARISON Under the auspices of the Organic Analysis Working Group (OAWG) of the Comité Consultatif pour la Quantité de Matière (CCQM) a key comparison, CCQM K55.c, was coordinated by the Bureau International des Poids et Mesures (BIPM) in 2012. Twenty National Measurement Institutes or Designated Institutes and the BIPM participated. Participants were required to assign the mass fraction of valine present as the main component in the comparison sample for CCQM-K55.c. The comparison samples were prepared from analytical grade L-valine purchased from a commercial supplier and used as provided without further treatment or purification. Valine was selected to be representative of the performance of a laboratory's measurement capability for the purity assignment of organic compounds of low structural complexity [molecular weight range 100–300] and high polarity (pKOW > –2). The KCRV for the valine content of the material was 992.0 mg/g with a combined standard uncertainty of 0.3 mg/g. The key comparison reference value (KCRV) was assigned by combination of KCRVs assigned from participant results for each orthogonal impurity class. The relative expanded uncertainties reported by laboratories having results consistent with the KCRV ranged from 1 mg/g to 6 mg/g when using mass balance based approaches alone, 2 mg/g to 7 mg/g using quantitative 1H NMR (qNMR) based approaches and from 1 mg/g to 2.5 mg/g when a result obtained by a mass balance method was combined with a separate qNMR result. The material provided several analytical challenges. In addition to the need to identify and quantify various related amino acid impurities including leucine, isoleucine, alanine and a-amino butyrate, care was required to select appropriate conditions for performing Karl Fischer titration assay for water content to avoid bias due to in situ formation of water by self-condensation under the assay conditions. It also proved to be a challenging compound for purity assignment by qNMR techniques. There was overall excellent agreement between participants in the identification and the quantification of the total and individual related structure impurities, water content, residual solvent and total non-volatile content of the sample. Appropriate technical justifications were developed to rationalise observed discrepancies in the limited cases where methodology differences led to inconsistent results. The comparison demonstrated that to perform a qNMR purity assignment the selection of appropriate parameters and an understanding of their potential influence on the assigned value is critical for reliable implementation of the method, particularly when one or more of the peaks to be quantified consist of complex multiplet signals. PY - 2014 U6 - https://doi.org/10.1088/0026-1394/51/1A/08010 SN - 0026-1394 SN - 1681-7575 VL - 51 SP - 08010, 1 EP - 44 PB - Inst. of Physics Publ. CY - Bristol AN - OPUS4-31072 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Wang, Lei A1 - Hoyt, J. J. T1 - Corrigendum to ‘Layering misalignment and negative temperature dependence of interfacial free energy of B2-liquid interfaces in a glass forming system’ [Acta Mater. 219 (2021) 117259] N2 - The authors regret that one funding number was missing. LW acknowledges financial supports from project DA 1655/1-2 within the SPP 1713 program by DFG. The authors would like to apologise for any inconvenience caused. KW - Missing acknowledgment KW - Glass forming KW - Solidification PY - 2021 U6 - https://doi.org/10.1016/j.actamat.2021.117525 VL - 219 PB - Elsevier Ltd. AN - OPUS4-54083 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wang, Lei A1 - Hoyt, J. J. T1 - Layering misalignment and negative temperature dependence of interfacial free energy of B2-liquid interfaces in a glass forming system N2 - From molecular dynamics simulations and the capillary fluctuation method, the solid-liquid interfacial free energy has been computed for the B2-liquid interface in the Cu-Zr system. Consistent with previous results for the FCC-liquid interface in Cu-Zr and Al-Sm but atypical of most alloys, was found to increase as the temperature is lowered. In addition, the temperature dependence was obtained for model Lennard-Jones B2-liquid alloys. In all cases the unusual temperature dependence of is correlated with an atomic structure of the interfacial region characterized by a misalignment of the number density peaks between solvents and solutes. In cases where the number density peaks are aligned, the typical temperature dependence is observed. The results are discussed in terms of the Gibbs theory of the thermodynamics of interfaces. It is proposed that the unique interfacial structure and the atypical temperature dependence of are hallmarks of an easy glass forming alloy. KW - Atomistic simulations KW - Interfacial free energy KW - Layering misalignment KW - Glass forming PY - 2021 U6 - https://doi.org/10.1016/j.actamat.2021.117259 SN - 1359-6454 VL - 219 SP - 117259 PB - Elsevier Ltd. AN - OPUS4-53650 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Rieger, J. A1 - Colla, V. A1 - Matino, I. A1 - Branca, T. A. A1 - Stubbe, G. A1 - Panizza, A. A1 - Brondi, C. A1 - Falsafi, M. A1 - Hage, J. A1 - Wang, X. A1 - Voraberger, B. A1 - Fenzl, T. A1 - Masaguer, V. A1 - Faraci, E. L. A1 - di Sante, L. A1 - Cirilli, F. A1 - Loose, Florian A1 - Thaler, C. A1 - Soto, A. A1 - Frittella, P. A1 - Foglio, G. A1 - di Cecca, C. A1 - Tellaroli, M. A1 - Corbella, M. A1 - Guzzon, M. A1 - Malfa, E. A1 - Morillon, A. A1 - Algermissen, D. A1 - Peters, K. A1 - Snaet, D. T1 - Residue Valorization in the Iron and Steel Industries: Sustainable Solutions for a Cleaner and More Competitive Future Europe N2 - The steel industry is an important engine for sustainable growth, added value, and high-quality employment within the European Union. It is committed to reducing its CO2 emissions due to production by up to 50% by 2030 compared to 1990′s level by developing and upscaling the technologies required to contribute to European initiatives, such as the Circular Economy Action Plan (CEAP) and the European Green Deal (EGD). The Clean Steel Partnership (CSP, a public–private partnership), which is led by the European Steel Association (EUROFER) and the European Steel Technology Platform (ESTEP), defined technological CO2 mitigation pathways comprising carbon direct avoidance (CDA), smart carbon usage SCU), and a circular economy (CE). CE ap-proaches ensure competitiveness through increased resource efficiency and sustainability and consist of different issues, such as the valorization of steelmaking residues (dusts, slags, sludge) for internal recycling in the steelmaking process, enhanced steel recycling (scrap use), the use of secondary carbon carriers from non-steel sectors as a reducing agent and energy source in the steelmaking process chain, and CE business models (supply chain analyses). The current paper gives an overview of different technological CE approaches as obtained in a dedicated workshop called “Resi4Future—Residue valorization in iron and steel industry: sustainable solutions for a cleaner and more competitive future Europe” that was organized by ESTEP to focus on future challenges toward the final goal of industrial deployment. KW - Circular economy KW - Steelmaking residues KW - Clean steel PY - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-530350 VL - 11 IS - 8 SP - 1202 PB - MDPI AN - OPUS4-53035 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Meng, M. A1 - Zhang, T. A1 - Wang, J. A1 - Cheng, Z. A1 - Li, Z. A1 - Qiao, X. A1 - Wen, J. A1 - Resch-Genger, Ute A1 - Long, W. A1 - Ou, Jun T1 - Preparation of NaYF4: Yb3+/Tm3+@NaYF4@β-CD upconversion nanoparticles and application of their fluorescence temperature sensing properties N2 - The NaYF4: Yb3+/Tm3+@NaYF4@β-CD upconversion nanoparticles were successfully prepared by the solvothermal method, and the samples were pure hexagonal phase with good crystallinity and homogeneous size, asevidenced by XRD and TEM analysis. The FT-IR analysis shows that β-CD is successfully encapsulated on the surface of NaYF4: Yb3+/Tm3+@NaYF4 nanoparticles. The fluorescence intensity 3and lifetime were significantly increased after coating the inert layer on the surface of core nanoparticles. After further surface modification of β-CD, the fluorescence intensity and fluorescence lifetime were reduced, but the overall fluorescence was stronger. Temperature measurements using the fluorescence intensity ratio technique were found to have relatively low reliability and absolute sensitivity for temperature measurements using thermally coupled energy levels. However, the reliability of temperature measurements using non-thermally coupled energy levels is significantly higher and the absolute sensitivity is much higher than for measurements at thermally coupled levels. Since the maximum absolute sensitivity, maximum relative sensitivity and minimum temperature resolution are determined to be 0.1179 K-1, 2.19 %K􀀀 1 and 0.00019 K, respectively, NaYF4: Yb3+/Tm3+@NaYF4@β-CD upconversion nanoparticles are expected to be widely used in the biomedical field due to their feasibility, reliability, non-toxicity and harmlessness. KW - Upconversion KW - Surface modification KW - Fluorescence intensity ratio KW - Thermally coupled levels KW - Non-thermally coupled levels PY - 2023 U6 - https://doi.org/10.1016/j.optmat.2022.113389 SN - 0925-3467 VL - 136 SP - 1 EP - 11 PB - Elsevier B.V. AN - OPUS4-57105 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Vogl, Jochen A1 - Yim, Y.-H. A1 - Lee, K.-S. A1 - Goenaga-Infante, H. A1 - Malinowskiy, D. A1 - Ren, T. A1 - Wang, J. A1 - Vocke Jr., R.D. A1 - Murphy, K. A1 - Nonose, N. A1 - Rienitz, O. A1 - Noordmann, J. A1 - Näykki, T. A1 - Sara-Aho, T. A1 - Ari, B. A1 - Cankur, O. T1 - Final report of the key comparison CCQM-K98: Pb isotope amount ratios in bronze KW - CCQM KW - Metrology KW - Isotope amount ratios KW - Lead PY - 2014 UR - http://www.bipm.org/utils/common/pdf/final_reports/QM/K98/CCQM-K98.pdf U6 - https://doi.org/10.1088/0026-1394/51/1A/08017 SN - 0026-1394 SN - 1681-7575 VL - 51 IS - 1A Tech. Suppl. SP - 08017-1 EP - 08017-47 PB - Inst. of Physics Publ. CY - Bristol AN - OPUS4-31929 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Stebbings, R. A1 - Wang, L. A1 - Sutherland, J. A1 - Kammel, M. A1 - Gaigalas, A.K. A1 - John, M. A1 - Roemer, B. A1 - Kuhne, Maren A1 - Schneider, Rudolf A1 - Braun, M. A1 - Engel, A. A1 - Dikshit, D.K. A1 - Abbasi, F. A1 - Marti, G.E. A1 - Sassi, M.P. A1 - Revel, L. A1 - Kim, S.-K. A1 - Baradez, M.-O. A1 - Lekishvili, T. A1 - Marshall, D. A1 - Whitby, L. A1 - Jing, W. A1 - Ost, V. A1 - Vonsky, M. A1 - Neukammer, J. T1 - Quantification of cells with specific phenotypes I: Determination of CD4+ cell count per microliter in reconstituted lyophilized human PBMC prelabeled with anti-CD4 FICT antibody N2 - A surface-labeled lyophilized lymphocyte (sLL) preparation has been developed using human peripheral blood mononuclear cells prelabeled with a fluorescein isothiocyanate conjugated anti-CD4 monoclonal antibody. The sLL preparation is intended to be used as a reference material for CD4+ cell counting including the development of higher order reference measurement procedures and has been evaluated in the pilot study CCQM-P102. This study was conducted across 16 laboratories from eight countries to assess the ability of participants to quantify the CD4+ cell count of this reference material and to document cross-laboratory variability plus associated measurement uncertainties. Twelve different flow cytometer platforms were evaluated using a standard protocol that included calibration beads used to obtain quantitative measurements of CD4+ T cell counts. There was good overall cross-platform and counting method agreement with a grand mean of the laboratory calculated means of (301.7 ± 4.9) µL-1 CD4+ cells. Excluding outliers, greater than 90% of participant data agreed within ±15%. A major contribution to variation of sLL CD4+ cell counts was tube to tube variation of the calibration beads, amounting to an uncertainty of 3.6%. Variation due to preparative steps equated to an uncertainty of 2.6%. There was no reduction in variability when data files were centrally reanalyzed. Remaining variation was attributed to instrument specific differences. CD4+ cell counts obtained in CCQM-P102 are in excellent agreement and show the robustness of both the measurements and the data analysis and hence the suitability of sLL as a reference material for interlaboratory comparisons and external quality assessment. KW - CD4+ cell counting KW - Relative concentration measurement KW - Lyophilized cells KW - Flow cytometry KW - Standard measurement procedure KW - Measurement of uncertainty KW - Human immunodeficiency virus-1 KW - Acquired immunodeficiency syndrome KW - Reference material PY - 2015 U6 - https://doi.org/10.1002/cyto.a.22614 SN - 0196-4763 SN - 1552-4922 SN - 1552-4930 VL - 87 IS - 3 SP - 244 EP - 253 PB - Wiley-Liss CY - Hoboken, NJ AN - OPUS4-32847 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wang, X.-d. A1 - Meier, R.J. A1 - Schäferling, Michael A1 - Bange, S. A1 - Lupton, J.M. A1 - Sperber, M. A1 - Wegener, J. A1 - Ondrus, V. A1 - Beifuss, U. A1 - Henne, U. A1 - Klein, C. A1 - Wolfbeis, Otto S. T1 - Two-photon excitation temperature nanosensors based on a conjugated fluorescent polymer doped with an Europium probe N2 - A strongly fluorescent organic semiconducting polymer doped with a highly temperature dependent fluorescent europium(III) complex is converted into a nanosized material that is capable of optically sensing temperature (T) in the range from 0 to 50 °C via two-photon excitation at 720 nm. The nanosensors are prepared from a blue-fluorescent polyfluorene that acts as both a lightharvesting antenna (to capture two-photon energy) and an energy donor in a fluorescence resonance energy transfer (FRET) system. The photonic energy absorbed by the polymer is transferred to the T-sensitive red-luminescent europium complex contained in the nanoparticles. The close spatial proximity of the donor and the acceptor warrants efficient FRET. A poly(ethylene glycol)- co-poly(propylene oxide) block copolymer is also added to render the particles biocompatible. It is shown that T can be calculated from a) the intensity of the luminescence of the europium complex, b) the ratio of the intensities of the red and blue luminescence, or c) the T-dependent luminescence lifetime of the Eu(III) complex. KW - Optical sensor KW - Temperature sensor KW - Nanosensor KW - FRET system PY - 2016 UR - http://onlinelibrary.wiley.com/doi/10.1002/adom.201600601/abstract U6 - https://doi.org/10.1002/adom.201600601 SN - 2195-1071 VL - 4 IS - 11 SP - 1854 EP - 1859 PB - Wiley-VCH CY - Weinheim AN - OPUS4-38737 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wang, L. A1 - Stebbings, R. A1 - Gaigalas, A.K. A1 - Sutherland, J. A1 - Kammel, M. A1 - John, M. A1 - Roemer, B. A1 - Kuhne, Maren A1 - Schneider, Rudolf A1 - Braun, M. A1 - Engel, A. A1 - Dikshit, D. A1 - Abbasi, F. A1 - Marti, G.E. A1 - Sassi, M. A1 - Revel, L. A1 - Kim, S.K. A1 - Baradez, M.-O. A1 - Lekishvili, T. A1 - Marshall, D. A1 - Whitby, L. A1 - Jing, W. A1 - Ost, V. A1 - Vonsky, M. A1 - Neukammer, J. T1 - Quantification of cells with specific phenotypes II: Determination of CD4 expression level on reconstituted lyophilized human PBMC labelled with anti-CD4 FITC antibody N2 - This report focuses on the characterization of CD4 expression level in terms of equivalent number of reference fluorophores (ERF). Twelve different flow cytometer platforms across sixteen laboratories were utilized in this study. As a first step the participants were asked to calibrate the fluorescein isothiocyanate (FITC) channel of each flow cytometer using commercially available calibration standard consisting of five populations of microspheres. Each population had an assigned value of equivalent fluorescein fluorophores (EFF denotes a special case of the generic term ERF with FITC as the reference fluorophore). The EFF values were assigned at the National Institute of Standards and Technology (NIST). A surface-labelled lyophilized cell preparation was provided by the National Institute of Biological Standards and Control (NIBSC), using human peripheral blood mononuclear cells (PBMC) pre-labeled with a FITC conjugated anti-CD4 monoclonal antibody. Three PBMC sample vials, provided to each participant, were used for the CD4 expression analysis. The PBMC are purported to have a fixed number of surface CD4 receptors. On the basis of the microsphere calibration, the EFF value of the PBMC samples was measured to characterize the population average CD4 expression level of the PBMC preparations. Both the results of data analysis performed by each participant and the results of centralized analysis of all participants' raw data are reported. Centralized analysis gave a mean EFF value of 22,300 and an uncertainty of 750, corresponding to 3.3% (level of confidence 68%) of the mean EFF value. The next step will entail the measurement of the ERF values of the lyophilized PBMC stained with labels for other fluorescence channels. The ultimate goal is to show that lyophilized PBMC is a suitable biological reference cell material for multicolor flow cytometry and that it can be used to present multicolor flow cytometry measurements in terms of ABC (antibodies bound per cell) units. KW - Surface labelled lyophilized PBMC KW - CD4 expression level KW - FITC KW - Equivalent fluorescein fluorophore (EFF) KW - Quantitative flow cytometry KW - Calibration KW - Standard measurement procedure KW - Measurement uncertainty KW - Reference cell material PY - 2015 U6 - https://doi.org/10.1002/cyto.a.22634 SN - 0196-4763 SN - 1552-4922 SN - 1552-4930 VL - 87 IS - 3 SP - 254 EP - 261 PB - Wiley-Liss CY - Hoboken, NJ AN - OPUS4-32981 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Rienitz, O. A1 - Pramann, A. A1 - Vogl, Jochen A1 - Lee, K.-S. A1 - Yim, Y.-H. A1 - Malinovskiy, D. A1 - Hill, S. A1 - Dunn, P. A1 - Goenaga-Infante, H. A1 - Ren, T. A1 - Wang, J. A1 - Vocke jr., R. D. A1 - Rabb, S: A. A1 - Narukawa, T. A1 - Yang, L. A1 - Mester, Z. A1 - Meija, J. A1 - Aref'ev, D. G. A1 - Marchin, V. A1 - Sharin, A. G. A1 - Bulanov, A. D. A1 - Potapov, A. M. A1 - Otopkova, P. A. A1 - Kessel, R. T1 - The comparability of the determination of the molar mass of silicon highly enriched in 28Si: results of the CCQM-P160 interlaboratory comparison and additional external measurements N2 - An international comparison study on the accurate determination of the molar mass M(Si) of silicon artificially enriched in 28Si (x(28Si) > 0.9999 mol mol−1) has been completed. The measurements were part of the high level CCQM-P160 pilot study assessing the ability of National Metrology Institutes (NMIs) and Designated Institutes (DIs) to make such measurements at the lowest possible levels of measurement uncertainty and to identify possible difficulties when measuring this kind of sample. This study supports the molar mass measurements critical to disseminating the silicon route to realizing the new definitions for the kilogram and the mole. Measurements were also made by one external research institute and an external company. The different institutes were free to choose their experimental (mass spectrometric) set-ups and equipment, thereby enabling also the comparison of different techniques. The investigated material was a chemically pure, polycrystalline silicon material. The subsequent modified single crystalline secondary product of this material was intended for the production of silicon which was used for two additional spheres in the context of the redetermination of the Avogadro constant NA, required for the revision of the International System of Units (SI) via fundamental constants which came into force from May 2019. The CCQM pilot study was organized by Physikalisch-Technische Bundesanstalt (PTB). Aqueous silicon solutions were shipped to all participating institutions. The data analysis as well as the uncertainty modelling and calculation of the results was predefined. The participants were provided with an uncertainty budget as a GUM Workbench® file as well as a free software license for the duration of the comparison. The agreement of the values of the molar mass (M(Si) = 27.976 942 577 g mol−1) was excellent with ten out of 11 results reported within the range of relative uncertainty of 1 × 10−8 required for the revision of the SI. KW - Absolute isotope ratio KW - Molar mass KW - Avogadro constant KW - Revision of the SI PY - 2020 U6 - https://doi.org/10.1088/1681-7575/abbdbf VL - 57 IS - 6 SP - 065028 PB - IOP Science CY - Cambridge AN - OPUS4-51500 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Treiling, S. A1 - Wang, Cui A1 - Förster, C. A1 - Reichenauer, F. A1 - Kalmbach, J. A1 - Boden, P. A1 - Harris, J. P. A1 - Carrella, L. M. A1 - Rentschler, E. A1 - Resch-Genger, Ute A1 - Reber, C. A1 - Seitz, M. A1 - Gerhards, M. A1 - Heinze, K. T1 - Luminescence and Light-Driven Energy and Electron Transfer from an Exceptionally Long-Lived Excited State of a Non-Innocent Chromium(III) Complex N2 - Photoactive metal complexes employing Earth‐abundant metal ions are a key to sustainable photophysical and photochemical applications. We exploit the effects of an inversion center and ligand non‐innocence to tune the luminescence and photochemistry of the excited state of the [CrN6] chromophore [Cr(tpe)2]3+ with close to octahedral symmetry (tpe=1,1,1‐tris(pyrid‐2‐yl)ethane). [Cr(tpe)2]3+ exhibits the longest luminescence lifetime (τ=4500 μs) reported up to date for a molecular polypyridyl chromium(III) complex together with a very high luminescence quantum yield of Φ=8.2 % at room temperature in fluid solution. Furthermore, the tpe ligands in [Cr(tpe)2]3+ are redox non‐innocent, leading to reversible reductive chemistry. The excited state redox potential and lifetime of [Cr(tpe)2]3+ surpass those of the classical photosensitizer [Ru(bpy)3]2+ (bpy=2,2′‐bipyridine) enabling energy transfer (to oxygen) and photoredox processes (with azulene and tri(n‐butyl)amine). KW - Quantum yield KW - Cr(III) complex KW - Longst luminescence lifetime KW - Electron transfer PY - 2019 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-494870 VL - 58 SP - 2 EP - 13 PB - Wiley-VCH AN - OPUS4-49487 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - RPRT A1 - Vogl, Jochen A1 - Becker, Dorit A1 - Koenig, Maren A1 - Yim, Y.-H. A1 - Lee, K.-S. A1 - Goenaga-Infante, H. A1 - Malinowskiy, D. A1 - Hill, S. A1 - Ren, T. A1 - Wang, J. A1 - Vocke, R. D. A1 - Murphy, K. A1 - Nonose, N. A1 - Rienitz, O. A1 - Noordmann, J. T1 - Certification Report for the Isotopic Reference Materials ERM-AE142 and ERM-EB400 N2 - Lead (Pb) isotope amount ratios are commonly used in applications ranging from archaeology and forensic sciences to terrestrial and extra-terrestrial geochemistry. Despite their utility and frequency of use, only three certified isotope amount ratio reference materials are currently available for Pb: NIST SRMs 981, 982 and 983. Because SRM 981 has a natural Pb isotopic composition, it is mainly used for correcting instrumental mass discrimination or fractionation. This means that, at present, there are no other certified isotope reference materials with natural Pb isotopic composition that could be used for validating or verifying an analytical procedure involving the measurement of Pb isotope amount ratios. To fill this gap, two new reference materials, both certified for their Pb isotopic composition, have been produced together with a complete uncertainty assessment. These new reference materials offer SI traceability and an independent means of validating or verifying analytical procedures used to produce Pb isotope amount ratio measurements. ERM-EB400 is a bronze material containing a nominal Pb mass fraction of 45 mg/kg. ERM-AE142 is a high purity solution of Pb with a nominal mass fraction of 100 mg/kg. Both materials have been specifically produced to assist analysts in verifying or validating their analytical procedures. Note that while one of these reference materials requires the chemical separation of Pb from its matrix (ERM-EB400), the other does not (ERM-AE142). Details on the certification of these isotope reference materials are provided in this report. KW - Lead isotopic composition KW - Isotope ratio KW - Reference material KW - Mass spectrometry PY - 2016 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-392060 SP - 1 EP - 16 PB - Bundesanstalt für Materialforschung und -prüfung (BAM) CY - Berlin AN - OPUS4-39206 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ren, J. A1 - Weigert, Florian A1 - Weber, F. A1 - Wang, Y. A1 - Choudhury, S. A1 - Xiao, J. A1 - Lauermann, I. A1 - Resch-Genger, Ute A1 - Bande, A. A1 - Petit, T. ED - Petit, Tristan T1 - Influence of surface chemistry on optical, chemical and electronic properties of blue luminescent carbon dots N2 - Carbon dots have attracted much attention due to their unique optical, chemical and electronic properties enabling a wide range of applications. The properties of carbon dots can be effectively adjusted through modifying their chemical composition. However, a major challenge remains in understanding the core and surface contributions to optical and electronic transitions. Here, three blue luminescent carbon dots with carboxyl, amino and hydroxyl groups were comprehensively characterized by UV-vis absorption and emission spectroscopy, synchrotron-based X-ray spectroscopy, and infrared spectroscopy. The influence of the surface functionality on their fluorescence was probed by pH-dependent photoluminescence measurements. Moreover, the hydrogen bonding interactions between water and the surface groups of carbon dots were characterized by infrared spectroscopy. Our results show that both core and surface electronic states of blue luminescent carbon dots contribute to electronic acceptor levels while the chemical nature of the surface groups determines the hydrogen bonding behavior of the carbon dots. This comprehensive spectroscopic study demonstrates that the surface chemistry has a profound influence on the electronic configuration and surface–water interaction of carbon dots, thus affecting their photoluminescence properties. KW - Quantum dots KW - Spectroscopy KW - UV Vis KW - Fluorescence KW - Surface chemistry PY - 2019 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-472325 SN - 2040-3372 VL - 11 IS - 4 SP - 2056 EP - 2064 PB - RSC AN - OPUS4-47232 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Vogl, Jochen A1 - Yim, Y.-H. A1 - Lee, K.-S. A1 - Goenaga-Infante, H A1 - Malinovskiy, D. A1 - Hill, S. A1 - Ren, T. A1 - Wang, J. A1 - Vocke, R. D. A1 - Murphy, K. E. A1 - Nonose, N. A1 - Rienitz, O. A1 - Noordmann, J. T1 - Certification of ERM-EB400, the first matrix reference material for lead isotope amount ratios, and ERM-AE142, a lead solution providing a lead isotopic composition at the edge of natural variation N2 - Lead isotope amount ratios are commonly used in diverse fields such as archaeometry, geochemistry and forensic science. Currently, five reference materials with certified lead isotope amount ratios are available, namely NIST SRM 981, 982 and 983, GBW-04442 and NMIJ 3681-a. Only NIST SRM 981 and NMIJ 3681-a have approximately natural isotopic compositions, and NIST SRM 981 is predominantly used for correcting mass discrimination/mass fractionation in the applied mass spectrometric procedures. Consequently, there is no other certified reference material available to be used for validation and/or quality control of the analytical procedures applied to lead isotope amount ratio measurements. To fill this gap, two new reference materials have been produced and certified for their lead isotope amount ratios. For both certified reference materials, complete uncertainty budgets have been calculated and SI traceability has been established. This provides the users with independent means for validating and verifying their analytical procedures and for conducting quality control measures. ERM-EB400 is a bronze material with a nominal lead mass fraction of 45 mg kg-1 and certified lead isotope amount ratios of n(206Pb)/n(204Pb) = 18.072(17) mol mol-1, n(207Pb)/n(204Pb) = 15.578(18) mol mol-1 and n(208Pb)/n(204Pb) = 38.075(46) mol mol-1 with the associated expanded uncertainties (k = 2) given in brackets. ERM-AE142 is a high-purity solution of lead in 2% nitric acid with a nominal mass fraction of 100 mg kg-1 and certified Pb isotope amount ratios of n(206Pb)/n(204Pb) = 21.114(17) mol mol-1, n(207Pb)/n(204Pb) = 15.944(17) mol mol-1 and n(208Pb)/n(204Pb) = 39.850(44) mol mol-1 with the associated expanded uncertainties (k = 2) given in brackets. Both materials are specifically designed to fall within the natural lead isotopic variation and to assist users with the validation and verification of their analytical procedures. Note that while one of these reference materials requires the chemical separation of Pb from its matrix (ERM-EB400), the other does not (ERM-AE142). As additional information, δ208/206PbNIST SRM981 values are provided for both materials. For ERM-AE142, a delta value of δ208/206PbNIST SRM981 = -28.21(30) ‰ was obtained, and for ERM-EB400, a delta value of δ208/206PbNIST SRM981 = -129.47(38) ‰ was obtained, with the associated expanded uncertainties (k = 2) given in brackets. KW - Lead isotope variations KW - Radiogenic isotopes KW - Isotope reference material KW - Metrology in chemistry KW - Measurement uncertainty PY - 2019 U6 - https://doi.org/10.1111/ggr.12253 SN - 1751-908X SN - 1639-4488 VL - 43 IS - 1 SP - 23 EP - 37 PB - John Wiley & Sons AN - OPUS4-47383 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hendriks, L. A1 - Brunjes, R. A1 - Taskula, S. A1 - Kocic, J. A1 - Hattendorf, B. A1 - Bland, G. A1 - Lowry, G. A1 - Bolea-Fernandez, E. A1 - Vanhaecke, F. A1 - Wang, J. A1 - Baalousha, M. A1 - von der Au, Marcus A1 - Meermann, Björn A1 - Holbrook, T. A1 - Wagner, S. A1 - Harycki, S. A1 - Gundlach-Graham, A. A1 - von der Kammer, F. T1 - Results of an interlaboratory comparison for characterization of Pt nanoparticles using single-particle ICP-TOFMS N2 - This study describes an interlaboratory comparison (ILC) among nine (9) laboratories to evaluate and validate the standard operation procedure (SOP) for single-particle (sp) ICP-TOFMS developed within the context of the Horizon 2020 project ACEnano. The ILC was based on the characterization of two different Pt nanoparticle (NP) suspensions in terms of particle mass, particle number concentration, and isotopic composition. The two Pt NP suspensions were measured using icpTOF instruments (TOFWERK AG, Switzerland). Two Pt NP samples were characterized and mass equivalent spherical sizes (MESSs) of 40.4 ± 7 nm and 58.8 ± 8 nm were obtained, respectively. MESSs showed <16% relative standard deviation (RSD) among all participating labs and <4% RSD after exclusion of the two outliers. A good agreement was achieved between the different participating laboratories regarding particle mass, but the particle number concentration results were more scattered, with <53% RSD among all laboratories, which is consistent with results from previous ILC studies conducted using ICP-MS instrumentation equipped with a sequential mass spectrometer. Additionally, the capabilities of sp-ICP-TOFMS to determine masses on a particle basis are discussed with respect to the potential for particle density determination. Finally, because quasi-simultaneous multi-isotope and multielement determinations are a strength of ICP-TOFMS instrumentation, the precision and trueness of isotope ratio determinations were assessed. The average of 1000 measured particles yielded a precision of below ±1% for intensity ratios of the most abundant Pt isotopes, i.e. 194Pt and 195Pt, while the accuracy of isotope ratios with the lower abundant isotopes was limited by counting statistics. KW - ILC KW - spICP-MS KW - PtNP KW - Nanopartikel PY - 2023 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-580353 SN - 2040-3364 VL - 15 IS - 26 SP - 11268 EP - 11279 PB - Royal Society of Chemistry (RSC) AN - OPUS4-58035 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Was, G.S. A1 - Bahn, C.-B. A1 - Busby, J. A1 - Cui, B. A1 - Farkas, D. A1 - Gussev, M. A1 - Rigen He, M. A1 - Hesterberg, J. A1 - Jiao, Z. A1 - Johnson, D. A1 - Kuang, W. A1 - McMurtrey, M. A1 - Robertson, I. A1 - Sinjlawi, A. A1 - Song, M. A1 - Stephenson, K. A1 - Sun, K. A1 - Swaminathan, Srinivasan A1 - Wang, M. A1 - West, E. T1 - How irradiation promotes intergranular stress corrosion crack initiation N2 - Irradiation assisted stress corrosion cracking (IASCC) is a form of intergranular stress corrosion cracking that occurs in irradiated austenitic alloys. It requires an irradiated microstructure along with high temperature water and stress. The process is ubiquitous in that it occurs in a wide range of austenitic alloys and water chemistries, but only when the alloy is irradiated. Despite evidence of this degradation mode that dates back to the 1960s, the mechanism by which it occurs has remained elusive. Here, using high resolution electron backscattering detection to analyze local stress-strain states, high resolution transmission electron microscopy to identify grain boundary phases at crack tips, and decoupling the roles of stress and grain boundary oxidation, we are able to unfold the complexities of the phenomenon to reveal the mechanism by which IASCC occurs. The significance of the findings impacts the mechanical integrity of core components of both current and advanced nuclear reactor designs worldwide. KW - Irradiation KW - Stress corrosion cracking KW - Grain boundaries KW - Oxidation KW - Austenitic alloys PY - 2024 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-595748 SN - 0079-6425 VL - 143 SP - 1 EP - 15 PB - Elsevier AN - OPUS4-59574 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zhang, X. A1 - Zhang, J. A1 - Wang, H. A1 - Rogal, J: A1 - Li, H.-Y. A1 - Wei, S.-H. A1 - Hickel, Tilmann T1 - Defect-characterized phase transition kinetics N2 - Phase transitions are a common phenomenon in condensed matter and act as a critical degree of freedom that can be employed to tailor the mechanical or electronic properties of materials. Understanding the fundamental mechanisms of the thermodynamics and kinetics of phase transitions is, thus, at the core of modern materials design. Conventionally, studies of phase transitions have, to a large extent, focused on pristine bulk phases. However, realistic materials exist in a complex form; their microstructures consist of different point and extended defects. The presence of defects impacts the thermodynamics and kinetics of phase transitions, but has been commonly ignored or treated separately. In recent years, with the significant advances in theoretical and experimental techniques, there has been an increasing research interest in modeling and characterizing how defects impact or even dictate phase transitions. The present review systematically discusses the recent progress in understanding the kinetics of defect-characterized phase transitions, derives the key mechanisms underlying these phase transitions, and envisions the remaining challenges and fruitful research directions. We hope that these discussions and insights will help to inspire future research and development in the field. KW - Kinetics KW - Atomistic models KW - Phase transitions KW - Defects PY - 2022 U6 - https://doi.org/10.1063/5.0117234 SN - 1931-9401 VL - 9 IS - 4 SP - 1 EP - 42 PB - AIP CY - New York, NY AN - OPUS4-56507 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hu, W.-H A1 - Tang, D.-H. A1 - Wang, M. A1 - Liu, J.-L. A1 - Li, Z.-H. A1 - Lu, W. A1 - Teng, J. A1 - Said, Samir A1 - Rohrmann, R. G. T1 - Resonance Monitoring of a Horizontal Wind Turbine by Strain-Based Automated Operational Modal Analysis N2 - A strain-based automated operational modal analysis algorithm is proposed to track the long-term dynamic behavior of a horizontal wind turbine under operational conditions. This algorithm is firstly validated by a scaled wind turbine model, and then it is applied to the dynamic strain responses recorded from a 5 MW wind turbine system. We observed variations in the fundamental frequency and 1f, 3f excitation frequencies due to the mass imbalance of the blades and aerodynamic excitation by the tower dam or tower wake. Inspection of the Campbell diagram revealed that the adverse resonance phenomenon and Sommerfeld effect causing excessive vibrations of the wind tower. KW - Strain KW - Automated operational modal analysis KW - Resonance KW - Horizontal wind turbine PY - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-503350 VL - 13 IS - 3 SP - 579 EP - 584 PB - MDPI CY - Schweiz, Basel AN - OPUS4-50335 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Abraham, O. A1 - Niederleithinger, Ernst A1 - Chapeleau, X. A1 - Klikowicz, P. A1 - Brühwiler, E. A1 - Bassil, A. A1 - Wang, Xin A1 - Chakraborty, J. A1 - Bayane, I. A1 - Leduc, D. A1 - Salamak, M. A1 - Katunin, A. A1 - Sørensen, J.D. T1 - Addressing the need to monitor concrete fatigue with nondestructive testing: Results of infrastar European project N2 - Fatigue is one of the most prevalent issues, which directly influences the service life expectancy of concrete structures. Fatigue has been investigated for years for steel structures. However, recent findings suggest that concrete structures may also be significantly subjected to fatigue phenomena that could lead to premature failure of certain structural elements. To date, fatigue of reinforced concrete has been given little focus. Knowledge on the influence factors and durability/capacity effects on this material should be improved. Current technological means to measure fatigue in civil structures like bridges and wind turbines (both onshore and offshore) are outdated, imprecise and inappropriate. Meanwhile, this topic has got much more attention as time-variant loading on concrete structures plays an increasing role, e.g. in bridges with increasing traffic and heavier trucks, and for wind turbines for renewable energy production, e.g. for offshore wind turbine support structures affected by wind and waves. The European Innovative Training Networks (ITN) Marie Skłodowska-Curie Actions project INFRASTAR (Innovation and Networking for Fatigue and Reliability Analysis of Structures - Training for Assessment of Risk) provides research training for 12 PhD students. The project aims to improve knowledge for optimizing the design of new structures as well as for more realistic verification of structural safety and more accurate prediction of the remaining fatigue lifetime of existing concrete structures. First, the INFRASTAR research framework is detailed. Then it will be exemplified through the presentation of the major results of the four PhD students involved in the work package dealing with auscultation and monitoring. This includes the development and improvement of Fiber Optics (FO) and Coda Wave Interferometry (CWI) for crack sizing and imagery, new sensor technologies and integration, information management, monitoring strategy for fatigue damage investigation and lifetime prediction. T2 - SMT and NDT-CE 2018 CY - New Brunswick, NJ, USA DA - 27.08.2018 KW - Concrete KW - Fatigue KW - Crack KW - Monitoring KW - Non-destructive testing PY - 2019 UR - https://asnt.org/smt18papers SN - 978-1-57117-456-7 VL - 11/19 SP - 2 EP - 13 PB - The American Society for Nondestructive Testing, Inc. CY - Columbus, OH, USA AN - OPUS4-47237 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zhou, Z. A1 - Han, Q. A1 - Wang, D. A1 - Macé, T. A1 - Kipphardt, Heinrich A1 - Maiwald, Michael A1 - Tuma, Dirk A1 - Uehara, S. A1 - Akima, D. A1 - Shimosaka, T. A1 - Jung, J. A1 - Oh, S.-H. A1 - van der Veen, A. A1 - van Wijk, J.I.T. A1 - Ziel, P. R. A1 - Konopelko, L. A1 - Valkova, M. A1 - Mogale, D.M. A1 - Botha, A. A1 - Brewer, P. A1 - Murugan, A. A1 - Minnaro, M.D. A1 - Miller, M. A1 - Guenther, F. A1 - Kelly, M.E. T1 - CCQM K101 Final report international comparison CCQM-K101:Oxygen in nitrogen-a track B comparison and that the matrix contains argon N2 - This key comparison aims to assess the capabilities of the participants to determine the amount-of-substance fraction oxygen in nitrogen. The GAWG has classified this as a track B comparison, due to the unexpected 50 μmol/mol argon mole fraction content of the transfer standards, which effects the achievable performance of some measurement techniques such a GC-TCD. The separation of oxygen and argon is challenging, and not all systems in use are equally well designed for it. As this analytical challenge due to a substantial fraction of argon in the transfer standards became a reality, the Gas Analysis Working Group (GAWG) decided to qualify this key comparison as a regular key comparison and not as a core comparison, which may be used to support calibration and measurement capabilities (CMCs) for oxygen in nitrogen, or for oxygen in nitrogen mixtures containing argon only (see also the section on support to CMCs). KW - CCQM-K101 KW - Gas analysis PY - 2016 UR - http://iopscience.iop.org/article/10.1088/0026-1394/53/1A/08013 SN - 1681-7575 SN - 0026-1394 VL - 53 IS - Techn Suppl SP - 08013, 1 EP - 71 PB - IOP publishing AN - OPUS4-40013 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kim, K.J. A1 - Unger, Wolfgang A1 - Kim, J.W. A1 - Moon, D.W. A1 - Gross, Thomas A1 - Hodoroaba, Vasile-Dan A1 - Schmidt, Dieter A1 - Wirth, Thomas A1 - Jordaan, W. A1 - van Staden, M. A1 - Prins, S. A1 - Zhang, L. A1 - Fujimoto, T. A1 - Song, X.P. A1 - Wang, H. T1 - Inter-laboratory comparison: quantitative surface analysis of thin Fe-Ni alloy films N2 - An international interlaboratory comparison of the measurement capabilities of four National Metrology Institutes (NMIs) and one Designated Institute (DI) in the determination of the chemical composition of thin Fe-Ni alloy films was conducted via a key comparison (K-67) of the Surface Analysis Working Group of the Consultative Committee for Amount of Substance. This comparison was made using XPS (four laboratories) and AES (one laboratory) measurements. The uncertainty budget of the measured chemical composition of a thin alloy film was dominated by the uncertainty of the certified composition of a reference specimen which had been determined by inductively coupled plasma mass spectrometry using the isotope dilution method. Pilot study P-98 showed that the quantification using relative sensitivity factors (RSFs) of Fe and Ni derived from an alloy reference sample results in much more accurate result in comparison to an approach using RSFs derived from pure Fe and Ni films. The individual expanded uncertainties of the participants in the K-67 comparison were found to be between 2.88 and 3.40 atomic %. The uncertainty of the key comparison reference value (KCRV) calculated from individual standard deviations and a coverage factor (k) of 2 was 1.23 atomic %. KW - Quantification KW - Fe-Ni alloy KW - Uncertainty KW - Key comparison KW - Traceability PY - 2012 U6 - https://doi.org/10.1002/sia.3795 SN - 0142-2421 SN - 1096-9918 VL - 44 IS - 2 SP - 192 EP - 199 PB - Wiley CY - Chichester AN - OPUS4-24505 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kim, K.J. A1 - Kim, J.W. A1 - Moon, D.W. A1 - Wirth, Thomas A1 - Hodoroaba, Vasile-Dan A1 - Gross, Thomas A1 - Unger, Wolfgang A1 - Jordaan, W. A1 - Staden, M.v. A1 - Prins, S. A1 - Wang, H. A1 - Song, X. A1 - Zhang, L. A1 - Fujimoto, T. A1 - Kojima, I. T1 - Final report on key comparison K67 and parallel pilot study P108: measurement of composition of a thin Fe-Ni alloy film N2 - The Key Comparison K67 and the parallel Pilot Study P108 on quantitative analysis of thin alloy films have been completed in the Surface Analysis Working Group (SAWG) of the Consultative Committee for Amount of Substance (CCQM). The aim of these inter-laboratory comparisons is to determine the degree of equivalence in the measurement capability of national metrology institutes (NMIs) and designated institutes (DIs) for the determination of the composition of thin alloy films. The measurand is expressed in atomic percent. A Fe-Ni alloy film with a certified composition was available for the participants of the inter-laboratory comparison. It has been used as a reference specimen to determine the relative sensitivity factors (RSF) of Fe and Ni for the different analytical methods used by the participants to determine the composition of the test sample. As was shown in the preceding Pilot Study P98, the degrees of equivalence in the measurement capabilities of the participants can be improved in that way. The composition of the reference specimen was certified by inductively coupled plasma mass spectrometry (ICP-MS) using the isotope dilution method. The in-depth and lateral homogeneity, determined in terms of elemental composition, of the certified reference sample and the unknown test sample were confirmed by secondary ion mass spectrometry (SIMS) using C60 primary ions by the leading laboratory. Five laboratories participated in the key comparison. Four of them used x-ray photoelectron spectroscopy (XPS) and one Auger electron spectroscopy (AES). One laboratory participated in the parallel P108 pilot study using electron probe micro analysis with an energy-dispersive spectrometer (ED EPMA) and XPS. KW - XPS KW - AES KW - EDX KW - Fe-Ni alloy film KW - Key comparison KW - CCQM PY - 2010 U6 - https://doi.org/10.1088/0026-1394/47/1A/08011 SN - 0026-1394 SN - 1681-7575 VL - 47 IS - 1A SP - 08011-1 - 08011-15 PB - Inst. of Physics Publ. CY - Bristol AN - OPUS4-21045 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Nöther, N. A1 - Wang, S. A1 - Wosniok, Aleksander A1 - Glötzl, R. A1 - Schneider-Glötzl, J. ED - Xu, Y. L. ED - Zhu, S. ED - Xia, Y. ED - Ni, Y.Q. ED - Law, S.S. ED - Yin, J. H. ED - Su, Z.Q. T1 - Distributed Brillouin sensing in optical fibers: Soil displacement monitoring using sensor-equipped geogrids N2 - This paper reports on the application of distributed Brillouin fiber optic sensing to the monitoring of geotechnical structures. The presented approach to Brillouin sensing offers an alternative to the common pulse-based measurements by using the frequency domain analysis. The focus of the research and field-testing work is to collect reliable structural health monitoring data from large-scale structures while preserving the System’s versatility in terms of being suitable for different application environments (soil structures, foundations, concrete construction works, pipelines etc.) and its robustness in being well functioning in harsh environments. Upon reviewing the presented application test, it is concluded that Brillouin frequency domain based monitoring, when applied to geotechnical structures, is capable of providing accurate strain readings representing deformations of the soil body, and reliable temperature readings for generating temperature profiles of the entire structure. An overview of the frequency domain analysis of Brillouin sensing and its digital implementation is given, along with the experiences and insights drawn from an open field test of sensor-equipped geogrid mats. T2 - SHMII-6 - 6th International conference on structural health monitoring of intelligent infrastructure CY - Hong Kong, China DA - 09.12.2013 KW - Structural health monitoring KW - Distributed sensing KW - Fiber-optic sensing KW - Brillouin sensing KW - Strain and temperature measurements KW - Sensor-equipped geosynthetics PY - 2013 SN - 978-962-367-768-4 SP - 290 EP - 295 AN - OPUS4-29914 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Jiang, Shan A1 - Wang, T. A1 - Behren, S. A1 - Westerlind, U. A1 - Gawlitza, Kornelia A1 - Persson, J. L. A1 - Rurack, Knut T1 - Sialyl-Tn Antigen-Imprinted Dual Fluorescent Core–Shell Nanoparticles for Ratiometric Sialyl-Tn Antigen Detection and Dual-Color Labeling of Cancer Cells N2 - Sialyl-Tn (STn or sialyl-Thomsen-nouveau) is a carbohydrate antigen expressed by more than 80% of human carcinomas. We here report a strategy for ratiometric STn detection and dual-color cancer cell labeling, particularly, by molecularly imprinted polymers (MIPs). Imprinting was based on spectroscopic studies of a urea-containing green-fluorescent monomer 1 and STn-Thr-Na (sodium salt of Neu5Acα2-6GalNAcα-O-Thr). A few-nanometer-thin green-fluorescent polymer shell, in which STn-Thr-Na was imprinted with 1, other comonomers, and a cross-linker, was synthesized from the surface of red-emissive carbon nanodot (R-CND)-doped silica nanoparticles, resulting in dual fluorescent STn-MIPs. Dual-color labeling of cancer cells was achieved since both red and green emissions were detected in two separate channels of the microscope and an improved accuracy was obtained in comparison with single-signal MIPs. The flow cytometric cell analysis showed that the binding of STn-MIPs was significantly higher (p < 0.001) than that of non-imprinted polymer (NIP) control particles within the same cell line, allowing to distinguish populations. Based on the modularity of the luminescent core–fluorescent MIP shell architecture, the concept can be transferred in a straightforward manner to other target analytes. KW - Cancer KW - Core−shell particles KW - Dual-color labeling glycan KW - Molecular imprinting PY - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-563106 SP - 1 EP - 14 PB - ACS Publications AN - OPUS4-56310 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Beyer, S. A1 - Kimani, Martha Wamaitha A1 - Zhang, Y. A1 - Verhassel, A. A1 - Sternbæk, L. A1 - Wang, T. A1 - Persson, J. L. A1 - Härkönen, P. A1 - Johansson, E. A1 - Caraballo, R. A1 - Elofsson, M. A1 - Gawlitza, Kornelia A1 - Rurack, Knut A1 - Ohlsson, L. A1 - El-Schich, Z. A1 - Gjörloff Wingren, A. A1 - Stollenwerk, M. M. T1 - Fluorescent Molecularly Imprinted Polymer Layers against Sialic Acid on Silica-coated Polystyrene Cores - Assessment of the Binding Behavior to Cancer Cells N2 - Sialic acid (SA) is a monosaccharide usually linked to the terminus of glycan chains on the cell surface. It plays a crucial role in many biological processes, and hypersialylation is a common feature in cancer. Lectins are widely used to analyze the cell surface expression of SA. However, these protein molecules are usually expensive and easily denatured, which calls for the development of alternative glycan-specific receptors and cell imaging technologies. In this study, SA-imprinted fluorescent core-shell molecularly imprinted polymer particles (SA-MIPs) were employed to recognize SA on the cell surface of cancer cell lines. The SA-MIPs improved suspensibility and scattering properties compared with previously used core-shell SA-MIPs. Although SA-imprinting was performed using SA without preference for the alpha-2,3- and alpha-2,6-SA forms, we screened the cancer cell lines analyzed using the lectins Maackia Amurensis Lectin I (MAL I, alpha-2,3-SA) and Sambucus Nigra Lectin (SNA, alpha-2,6-SA). Our results show that the selected cancer cell lines in this study presented a varied binding behavior with the SA-MIPs. The binding pattern of the lectins was also demonstrated. Moreover, two different pentavalent SA conjugates were used to inhibit the binding of the SA-MIPs to breast, skin, and lung cancer cell lines, demonstrating the specificity of the SA-MIPs in both flow cytometry and confocal fluorescence microscopy. We concluded that the synthesized SA-MIPs might be a powerful future tool in the diagnostic analysis of various cancer cells. KW - Cancer KW - Imprinting KW - Molecularly imprinted polymers KW - SA conjugates KW - Sialic acid PY - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-546625 SN - 2072-6694 VL - 14 IS - 8 PB - MDPI CY - Basel AN - OPUS4-54662 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Anderhalten, L. A1 - Silva, R. V. A1 - Morr, A. A1 - Wang, S. A1 - Smorodchenko, A. A1 - Saatz, Jessica A1 - Traub, Heike A1 - Mueller, S. A1 - Boehm-Sturm, P. A1 - Rodriguez-Sillke, Y. A1 - Kunkel, D. A1 - Hahndorf, J. A1 - Paul, F. A1 - Taupitz, M. A1 - Sack, I. A1 - Infante-Duarte, C. T1 - Different Impact of Gadopentetate and Gadobutrol on Inflammation-Promoted Retention and Toxicity of Gadolinium Within the Mouse Brain N2 - Objectives: Using a murine model of multiple sclerosis, we previously showed that repeated administration of gadopentetate dimeglumine led to retention of gadolinium (Gd) within cerebellar structures and that this process was enhanced with inflammation. This study aimed to compare the kinetics and retention profiles of Gd in inflamed and healthy brains after application of the macrocyclic Gd-based contrast agent (GBCA) gadobutrol or the linear GBCA gadopentetate. Moreover, potential Gd-induced neurotoxicity was investigated in living hippocampal slices ex vivo. Materials and Methods: Mice at peak of experimental autoimmune encephalomyelitis (EAE; n = 29) and healthy control mice (HC; n = 24) were exposed to a cumulative dose of 20 mmol/kg bodyweight of either gadopentetate dimeglumine or gadobutrol (8 injections of 2.5 mmol/kg over 10 days). Magnetic resonance imaging (7 T) was performed at baseline as well as at day 1, 10, and 40 post final injection (pfi) of GBCAs. Mice were sacrificed after magnetic resonance imaging and brain and blood Gd content was assessed by laser ablation-inductively coupled plasma (ICP)-mass spectrometry (MS) and ICP-MS, respectively. In addition, using chronic organotypic hippocampal slice cultures, Gd-induced neurotoxicity was addressed in living brain tissue ex vivo, both under control or inflammatory (tumor necrosis factor α [TNF-α] at 50 ng/μL) conditions. Results: Neuroinflammation promoted a significant decrease in T1 relaxation times after multiple injections of both GBCAs as shown by quantitative T1 mapping of EAE brains compared with HC. This corresponded to higher Gd retention within the EAE brains at 1, 10, and 40 days pfi as determined by laser ablation-ICP-MS. In inflamed cerebellum, in particular in the deep cerebellar nuclei (CN), elevated Gd retention was observed until day 40 after last gadopentetate application (CN: EAE vs HC, 55.06 ± 0.16 μM vs 30.44 ± 4.43 μM). In contrast, gadobutrol application led to a rather diffuse Gd content in the inflamed brains, which strongly diminished until day 40 (CN: EAE vs HC, 0.38 ± 0.08 μM vs 0.17 ± 0.03 μM). The analysis of cytotoxic effects of both GBCAs using living brain tissue revealed an elevated cell death rate after incubation with gadopentetate but not gadobutrol at 50 mM. The cytotoxic effect due to gadopentetate increased in the presence of the inflammatory mediator TNF-α (with vs without TNF-α, 3.15% ± 1.18% vs 2.17% ± 1.14%; P = 0.0345). Conclusions: In the EAE model, neuroinflammation promoted increased Gd retention in the brain for both GBCAs. Whereas in the inflamed brains, efficient clearance of macrocyclic gadobutrol during the investigated time period was observed, the Gd retention after application of linear gadopentetate persisted over the entire observational period. Gadopentetate but not gadubutrol appeared to be neurotoxic in an ex vivo paradigm of neuronal inflammation. KW - Imaging KW - ICP-MS KW - Gadolinium KW - Contrast agent KW - Laser ablation KW - Brain KW - Multiple sclerosis PY - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-546910 SN - 0020-9996/22/0000–0000 VL - 57 IS - 10 SP - 677 EP - 688 PB - Wolters Kluwer N.V. CY - Alphen aan den Rijn, The Netherlands AN - OPUS4-54691 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Chakraborty, J. A1 - Wang, Xin A1 - Stolinski, M. T1 - Analysis of Sensitivity of Distance between Embedded Ultrasonic Sensors and Signal Processing on Damage Detectability in Concrete Structures N2 - Damage detection of reinforced concrete (RC) structures is becoming a more attractive domain due to the safety issues arising in the last few decades. The damage in concrete can be caused by excessive exploitation of the structure or environmental effects. The cracks in concrete can be detected by different nondestructive testing methods. However, the available methods used for this purpose have numerous limitations. The technologies available in the market nowadays have difficulties detecting slowly progressive, locally limited damage. In addition, some of These methods cannot be applied, especially in hard-to-reach areas in the superstructures. In order to avoid these deficiencies, an embedded ultrasonic methodology can be used to detect cracks in RC structures. In this study, the methodology of crack detection supported with the advanced Signal processing algorithm was proposed and verified on RC structures of various types, and cracks occurring between embedded sensors can be detected. Moreover, different pairs of ultrasonic sensors located in the considered structures are used for the analysis of the sensitivity of distance between them. It is shown that the ultrasonic sensors placed in the range of 1.5–2 m can detect cracks, even when the other methods failed to detect changes in the structure. The obtained results confirmed that diffuse ultrasonic sensor methodology is able to monitor real structures more effectively than traditional techniques. KW - Ultrasound KW - Coda wave interferometry KW - Structural health monitoring PY - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-543624 VL - 4 IS - 1 SP - 89 EP - 110 PB - MDPI CY - Basel, Schweiz AN - OPUS4-54362 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - He, S. A1 - Sieksmeyer, T. A1 - Che, Y. A1 - Mora, M. A. E. A1 - Stiblik, P. A1 - Banasiak, Robert A1 - Harrison, M. C. A1 - Sobotnik, J. A1 - Wang, Z. A1 - Johnston, P. R. A1 - McMahon, Dino Peter ED - He, s. ED - McMahon, Dino Peter T1 - Evidence for reduced immune gene diversity and activity during the evolution of termites N2 - The evolution of biological complexity is associated with the emergence of bespoke immune systems that maintain and protect organism integrity. Unlike the well-studied immune systems of cells and individuals, little is known about the origins of immunity during the transition to eusociality, a major evolutionary transition comparable to the evolution of multicellular organisms from single-celled ancestors. We aimed to tackle this by characterizing the immune gene repertoire of 18 cockroach and termite species, spanning the spectrum of solitary, subsocial and eusocial lifestyles. We find that key transitions in termite sociality are correlated with immune gene family contractions. In cross-species comparisons of immune gene expression, we find evidence for a caste-specific social defence system in termites, which appears to operate at the expense of individual immune protection. Our study indicates that a major transition in organismal complexity may have entailed a fundamental reshaping of the immune system optimized for group over individual defence. KW - Social insect KW - Subsocial KW - Cockroach KW - Major transition KW - Contraction KW - Expansion PY - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-538878 SN - 0962-8452 VL - 288 IS - 1945 SP - 1 EP - 10 PB - The Royal Society Publishing CY - London, UK AN - OPUS4-53887 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Reichenauer, F. A1 - Wang, Cui A1 - Förster, C. A1 - Boden, P. A1 - Ugur, N. A1 - Báez-Cruz, R. A1 - Kalmbach, J. A1 - Carrella, L. M. A1 - Rentschler, E. A1 - Ramanan, C. A1 - Niedner-Schatteburg, G. A1 - Gerhards, M. A1 - Seitz, M. A1 - Resch-Genger, Ute A1 - Heinze, K. T1 - Strongly Red-Emissive Molecular Ruby [Cr(bpmp)2]3+ Surpasses [Ru(bpy)3]2+ N2 - Gaining chemical control over the thermodynamics and kinetics of photoexcited states is paramount to an efficient and sustainable utilization of photoactive transition metal complexes in a plethora of technologies. In contrast to energies of charge Transfer states described by spatially separated orbitals, the energies of spinflip states cannot straightforwardly be predicted as Pauli Repulsion and the nephelauxetic effect play key roles. Guided by multireference quantum chemical calculations, we report a novel highly luminescent spin-flip emitter with a quantum chemically predicted blue-shifted luminescence. The spin-flip emission band of the chromium complex [Cr(bpmp)2]3+ (bpmp = 2,6-bis(2-pyridylmethyl) pyridine) shifted to higher energy from ca. 780 nm observed for known highly emissive chromium(III) complexes to 709 nm. The photoluminescence quantum yields climb to 20%, and very long excited state lifetimes in the millisecond range are achieved at room temperature in acidic D2O solution. Partial ligand deuteration increases the quantum yield to 25%. The high excited state energy of [Cr(bpmp)2]3+ and its facile reduction to [Cr(bpmp)2]2+ result in a high excited state redox potential. The ligand’s methylene bridge acts as a Brønsted acid quenching the luminescence at high pH. Combined with a pH-insensitive chromium(III) emitter, ratiometric optical pH sensing is achieved with single wavelength excitation. The photophysical and Ground state properties (quantum yield, lifetime, redox potential, and acid/base) of this spin-flip complex incorporating an earth-abundant metal surpass those of the classical precious metal [Ru(α-diimine)3]2+ charge transfer complexes, which are commonly employed in optical sensing and photo(redox) catalysis, underlining the bright future of these molecular ruby analogues. KW - Fluorescence KW - Optical probe KW - Sensor KW - PH KW - Quantum yield KW - Quality assurance KW - Complex KW - Cr(III) KW - Lifetime KW - Ligand KW - Theory PY - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-530548 VL - 143 IS - 30 SP - 11843 EP - 11855 PB - ACS Publications AN - OPUS4-53054 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wang, Xin A1 - Chakraborty, J. A1 - Niederleithinger, Ernst T1 - Noise Reduction for Improvement of Ultrasonic Monitoring Using Coda Wave Interferometry on a Real Bridge N2 - Reinforced concrete bridges are iconic parts of modern infrastructure. They are designed for a minimum service life of 100 years. However, environmental factors and/or inappropriate use might cause overload and accelerate the deterioration of bridges. In extreme cases, bridges could collapse when necessary maintenance lacks. Thus, the permanent monitoring for structure health assessment has been proposed, which is the aim of structural health monitoring (SHM). Studies in laboratories have shown that ultrasonic (US) coda wave interferometry (CWI) using diffuse waves has high sensitivity and reliability to detect subtle changes in concrete structures. The creation of micro-cracks might be recognized at an early stage. Moreover, large-volume structures can be monitored with a relatively small number of US transducers. However, it is still a challenge to implement the CWI method in real SHM practical applications in an outdoor environment because of the complex external factors, such as various noise sources that interfere with the recorded signals. In this paper, monitoring data from a 36-m long bridge girder in Gliwice, Poland, instrumented with embedded US transducers, thermistors, and vibrating wire strain gauges, is presented. Noise estimation and reductionmethods are discussed, and the influence of traffic, as well as temperature variation, are studied. As a result, the relative velocity variation of US waves following the temperature change with a very high precision of 10−4% is shown, and a good bridge health condition is inferred. The influence of lightweight real traffic is negligible. The study verified the feasibility of the implementation of the CWI method on real bridge structures. KW - Ultrasound KW - Coda Wave Interferometry KW - Noise KW - Concrete KW - Bridge PY - 2021 U6 - https://doi.org/10.1007/s10921-020-00743-9 VL - 40 IS - 1 SP - Article number: 14 PB - Springer Nature AN - OPUS4-52052 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wang, Z. A1 - Villa Santos, C. A1 - Legrand, A. A1 - Haase, F. A1 - Hara, Y. A1 - Kanamori, K. A1 - Aoyama, T. A1 - Urayama, K. A1 - Doherty, C. M. A1 - Smales, Glen Jacob A1 - Pauw, Brian Richard A1 - Colon, Y. J. A1 - Furukawa, S. T1 - Multiscale structural control of linked metal–organic polyhedra gel by aging-induced linkage-reorganization N2 - Assembly of permanently porous metal–organic polyhedra/cages (MOPs) with bifunctional linkers leads to soft supramolecular networks featuring both porosity and processability. However, the amorphous nature of such soft materials complicates their characterization and thus limits rational structural control. Here we demonstrate that aging is an effective strategy to control the hierarchical network of supramolecular gels, which are assembled from organic ligands as linkers and MOPs as junctions. Normally, the initial gel formation by rapid gelation leads to a kinetically trapped structure with low controllability. Through a controlled post-synthetic aging process, we show that it is possible to tune the network of the linked MOP gel over multiple length scales. This process allows control on the molecular-scale rearrangement of interlinking MOPs, mesoscale fusion of colloidal particles and macroscale densification of the whole colloidal network. In this work we elucidate the relationships between the gel properties, such as porosity and rheology, and their hierarchical structures, which suggest that porosity measurement of the dried gels can be used as a powerful tool to characterize the microscale structural transition of their corresponding gels. This aging strategy can be applied in other supramolecular polymer systems particularly containing kinetically controlled structures and shows an opportunity to engineer the structure and the permanent porosity of amorphous materials for further applications. KW - SAXS KW - Metal-organic polyhedra KW - Structural control PY - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-532309 SN - 1478-6524 SN - 1742-2183 VL - 12 IS - 38 SP - NIL_1 EP - NIL_9 PB - Royal Society of Chemistry CY - Cambridge AN - OPUS4-53230 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kalinka, Gerhard A1 - Sahin, M. A1 - Schlögl, S. A1 - Wang, J. A1 - Kaynak, B. A1 - Mühlbacher, I. A1 - Ziegler, W. A1 - Kern, W. A1 - Grützmacher, H. T1 - Tailoring the interfaces in glass fiber-reinforced photopolymer composites N2 - The present work provides a comparative study on the interface and adhesion properties of surface modified single glass fibers embedded in an acrylate matrix. To facilitate a covalent bonding at the fibermatrix interface, the fibers are functionalized with selected organosilanes that comprise either passive (unsaturated C¼C bonds of methacrylate moieties) or photoactive functionalities (photocleavable bis(acyl)phosphane oxide groups). Immobilization of the functional silanes is carried out by a classic silanization reaction involving a condensation reaction across the surface hydroxyl groups of the inorganic glass fibers. The change of the physico-chemical properties of the fibers due to desizing and subsequent surface modification is monitored by X-ray photoelectron spectroscopy and zeta potential measurements. In addition, scanning electron microscopy is used to follow the changes in surface morphology. After the modification step, the desized and modified single fibers are embedded in a photocurable acrylate resin formulation. By performing single fiber pull-out tests, maximum pull-out force, friction strength and apparent interfacial shear strength are determined as a function of the coupled silanes. The results reveal that the attached organosilanes lead to a significant increase in adhesion strength, whilst the performance of the photo-cleavable organosilane is superior to the passive methacryl-functional derivative. KW - Photocleavable organosilanes KW - Fiber-matrix interface KW - Photopolymer composites KW - Single fiber pull-out test KW - Surface modification PY - 2018 U6 - https://doi.org/10.1016/j.polymer.2018.03.020 SN - 0032-3861 VL - 141 SP - 221 EP - 231 PB - Elsevier Ltd. CY - New York AN - OPUS4-44784 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wang, Cui A1 - Otto, S. A1 - Dorn, M. A1 - Kreidt, E. A1 - Lebon, J. A1 - Sršan, L. A1 - Di Martino-Fumo, P. A1 - Gerhards, M. A1 - Resch-Genger, Ute A1 - Seitz, M. A1 - Heinze, K. T1 - Deuterated molecular ruby with record luminescence quantum yield N2 - The recently reported luminescent chromium(III) complex 13+ ([Cr(ddpd)2]3+; ddpd=N,N’-dimethyl-N,N’-dipyridine-2-yl-pyridine-2,6-diamine) shows exceptionally strong near-IR emission at 775 nm in water under ambient conditions (F=11%) with a microsecond lifetime as the ligand design in 13+ effectively eliminates non-radiative decay pathways, such as photosubstitution, back-intersystem crossing, and trigonal twists. In the absence of energy acceptors, such as dioxygen, the remaining decay pathways are energy transfer to high energy solvent and ligand oscillators, namely OH and CH stretching vibrations. Selective deuteration of the solvents and the ddpd ligands probes the efficiency of these oscillators in the excited state deactivation. Addressing these energytransfer pathways in the first and second coordination sphere furnishes a record 30% quantum yield and a 2.3 millisecond lifetime for a metal complex with an earth-abundant metal ion in solution at room temperature. The combined fundamental insights will pave the way for selective design strategies in the field of luminescent complexes with earth-abundant metal ions. KW - Record luminescence quantum yield KW - Phorsphorescence KW - Cr-complex KW - Lifetime PY - 2018 U6 - https://doi.org/10.1002/ange.201711350 U6 - https://doi.org/10.1002/anie.201711350 SN - 1521-3773 VL - 57 IS - 4 SP - 1112 EP - 1116 PB - Wiley-VCH Verlag & Co. KGaA CY - Weinheim AN - OPUS4-45085 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wang, Cui A1 - Otto, S. A1 - Dorn, M. A1 - Kreidt, E. A1 - Lebon, J. A1 - Sršan, L. A1 - Di Martino-Fumo, P. A1 - Gerhards, M. A1 - Seitz, M. A1 - Resch-Genger, Ute A1 - Heinze, K. T1 - Deuterierter molekularer Rubin mit Rekord-Lumineszenzquantenausbeute N2 - Der kürzlich publizierte Chrom(III)-Komplex 13+([Cr(ddpd)2]3+) zeigt in wässriger Lösung unter Umgebungsbedingungen eine bemerkenswert starke Emission im nahen Infrarot-Bereich mit einer Emissionswellenlänge von 775 nm. Geschicktes Ligandendesign verhindert strahlungslose Desaktivierungsprozesse wie Photosubstitution, Rück-Intersystem-Crossing und trigonale Verzerrungen und führt damit zu einer Phosphoreszenzlebensdauer im Bereich von Mikrosekunden. In Abwesenheit von Energieakzeptoren wie molekularem Sauerstoff verbleibt nur Energietransfer zu hochenergetischen Oszillatoren der Liganden und Lösungsmittelmoleküle wie beispielsweise OH- und CH-Streckschwingungen als Desaktivierungspfad. Selektive Deuterierung der ddpd-Liganden und der Lösungsmittel l-sst die Effizienz dieser Oszillatoren bei der Desaktivierung angeregter Zustände erkennbar werden. Gezieltes Ausschalten dieser Relaxationspfade führt zu einer Quantenausbeute von 30% und einer Lebensdauer von 2.3 Millisekunden bei Raumtemperatur in Lösung – Rekordwerte für einen Komplex, der auf dem Element Chrom basiert. Diese fundamentalen Erkenntnisse ebnen den Weg für gezieltes Ligandendesign zur Synthese lumineszierender Komplexe mit gut verfügbaren Übergangsmetallen. KW - Cr(III)-Komplex KW - Rekord Luminescence Quantum Ausbeute KW - Abklingzeit PY - 2018 U6 - https://doi.org/10.1002/ange.201711350 SN - 1521-3757 VL - 130 IS - 4 SP - 1125 EP - 1130 PB - Wiley-VCH Verlag & Co. KGaA CY - Weinheim AN - OPUS4-45086 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Vogel, Christian A1 - Helfenstein, J. A1 - Massey, M. A1 - Sekine, R. A1 - Kretzschmar, R. A1 - Beiping, L. A1 - Peter, T. A1 - Chadwick, O. A1 - Tamburini, F. A1 - Rivard, C. A1 - Herzel, Hannes A1 - Adam, Christian A1 - Pradas del Real, A. A1 - Castillo-Michel, H. A1 - Zuin, L. A1 - Wang, D. A1 - Félix, R. A1 - Lassalle-Kaiser, B. A1 - Frossard, E. T1 - Microspectroscopy reveals dust-derived apatite grains in acidic, highly-weathered Hawaiian soils N2 - Dust deposition is an important source of phosphorus (P) to many ecosystems. However, there is little evidence of dust-derived P-containing minerals in soils. Here we studied P forms along a well-described climatic Gradient on Hawaii, which is also a dust deposition gradient. Soil mineralogy and soil P forms from six sites along the climatic gradient were analyzed with bulk (X-ray diffraction and P K-edge X-ray absorption near edge structure) and microscale (X-ray fluorescence, P K-edge X-ray absorption near edge structure, and Raman) analysis methods. In the wettest soils, apatite grains ranging from 5 to 30 μm in size were co-located at the micro-scale with quartz, a known continental dust indicator suggesting recent atmospheric deposition. In addition to co-location with quartz, further evidence of dust-derived P included backward trajectory modeling indicating that dust particles could be brought to Hawaii from the major global dust-loading areas in central Asia and northern Africa. Although it is not certain whether the individual observed apatite grains were derived from long-distance transport of dust, or from local dust sources such as volcanic ash or windblown fertilizer, these observations offer direct evidence that P-containing minerals have reached surface layers of highly-weathered grassland soils through atmospheric deposition. KW - Phosphorus KW - soil KW - microspectroscopy KW - Raman spectroscopy KW - XANES spectroscopy KW - x-ray diffraction PY - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-511522 SN - 0166-0918 SN - 1872-6259 VL - 381 SP - 114681-1 EP - 114681-11 PB - Elsevier CY - Amsterdam AN - OPUS4-51152 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Biegler, M. A1 - Wang, J. A1 - Kaiser, L. A1 - Rethmeier, Michael T1 - Automated Tool-Path Generation for Rapid Manufacturing of Additive Manufacturing Directed Energy Deposition Geometries N2 - In additive manufacturing (AM) directed energy deposition (DED), parts are built by welding layers of powder or wire feedstock onto a substrate with applications for steel powders in the fields of forging tools, spare parts, and structural components for various industries. For large and bulky parts, the choice of toolpaths influences the build rate, the mechanical performance, and the distortions in a highly geometry-dependent manner. With weld-path lengths in the range of hundreds of meters, a reliable, automated tool-path generation is essential for the usability of DED processes. This contribution presents automated tool-path generation approaches and discusses the results for arbitrary geometries. Socalled “zig-zag” and “contour-parallel” processing strategies are investigated and the tool-paths are automatically formatted into machine-readable g-code for experimental validation to build sample geometries. The results are discussed in regard to volume-fill, microstructure, and porosity in dependence of the path planning according to photographs and metallographic cross-sections. KW - Porosity KW - Path planning KW - Mechanical properties KW - Laser metal deposition KW - Additive manufacturing PY - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-510454 VL - 91 IS - 11 SP - 2000017 PB - WILEY-VCH Verlag GmbH & co. KGaA CY - Weinheim AN - OPUS4-51045 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Czuban, M. A1 - Kulka, M. W. A1 - Wang, L. A1 - Koliszak, A. A1 - Achazi, K. A1 - Schlaich, C. A1 - Donskyi, Ievgen A1 - Di Luca, M. A1 - Mejia Oneto, J. M. A1 - Royzen, M. A1 - Haag, R. A1 - Trampuz, A. T1 - Titanium coating with mussel inspired polymer and bio-orthogonal chemistry enhances antimicrobial activity against Staphylococcus aureus N2 - Implant-associated infections present severe and difficult-to-treat complications after surgery, related to implant biofilm colonization. Systemic administration of antibiotics cannot reach sufficient concentrations at the infected site and may be toxic. Here we describe how mussel-inspired dendritic material coated on a titanium surface can locally activate a prodrug of daptomycin (pro-dapto) to treat methicillin-resistant Staphylococcus aureus. The mechanism of the prodrug activation is based on bio-orthogonal click chemistry between a tetrazine (Tz) and trans-cyclooctene (TCO). The former is attached to the dendritic polymer, while the later converts daptomycin into a prodrug. Characterization of the material's properties revealed that it is hydrophobic, non-toxic, and stable for a prolonged period of time. We envision that the titanium coated dendritic material will be able to improve the treatment of implant-associated infections by concentrating systemically administered antibiotic prodrugs, thus converting them into active localized medicines. KW - Bio-orthogonal chemistry KW - Antimicrobial titanium coating KW - Prodrug antibiotic KW - Antibiotic delivery KW - Antibiotic release KW - XPS PY - 2020 U6 - https://doi.org/10.1016/j.msec.2020.111109 VL - 116 SP - 111109 PB - Elsevier B.V. AN - OPUS4-51204 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kalmbach, J. A1 - Wang, Cui A1 - You, Yi A1 - Förster, C. A1 - Schubert, H. A1 - Heinze, K. A1 - Resch-Genger, Ute A1 - Seitz, M. T1 - Near-IR to near-IR upconversion luminescence in molecular chromium ytterbium salts N2 - Upconversion photoluminescence in hetero-oligonuclear metal complex architectures featuring organic ligands is an interesting but still rarely observed phenomenon, despite its great potential from a basic research and application perspective. In this context, a new photonic material consisting of molecular chromium(III) and ytterbium(III) complex Ions was developed that exhibits excitation-power density-dependent cooperative sensitization of the chromium-centered 2E/2T1 phosphorescence at approximately 775 nm after excitation of the ytterbium band 2F7/2!2F5/2 at approximately 980 nm in the solid state at ambient temperature. The upconversion process is insensitive to atmospheric oxygen and can be observed in the presence of water molecules in the crystal lattice. KW - Upconversion KW - Lanthanide KW - Photoluminescence KW - Quantum yield KW - Photophysics KW - Lifetime KW - Sensor KW - NIR KW - Cr(III) KW - Yb(III) complex KW - Crystal KW - Triplet-triplet annihilation KW - Sensitization KW - Light harvesting PY - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-512619 SN - 1433-7851 SN - 1521-3773 VL - 59 IS - 42 SP - 18804 EP - 18808 PB - Wiley CY - Weinheim AN - OPUS4-51261 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Moll, J. A1 - Wang, Cui A1 - Päpcke, A. A1 - Förster, C. A1 - Resch-Genger, Ute A1 - Lochbrunner, S. A1 - Heinze, K. T1 - Green Light Activation of Push-Pull Ruthenium(II) Complexes N2 - Synthesis, characterization, electrochemistry, and photophysics of novel homo- and heteroleptic ruthenium(II) complexes [Ru(cpmp)2] 2+ (22+) and [Ru(cpmp)(ddpd)]2+ (32+) bearing the tridentate ligands 6,2’’-carboxypyridyl-2,2’-methylamine-pyridylpyridine (cpmp) and N,N’-dimethyl-N,N’-dipyridin-2-ylpyridine-2,6-diamine (ddpd) are reported. The complexes possess one (32+) or two (22+) electron-deficient dipyridyl ketone fragments as electron accepting sites enabling intraligand charge transfer (ILCT), ligand-toligand charge transfer (LL’CT) and low-energy metal-to-ligand charge transfer (MLCT) absorptions. The latter peak around 544 nm (green light). 22+ shows 3MLCT phosphorescence in the red to near-infrared spectral region at room temperature in deaerated acetonitrile solution with an emission quantum yield of 1.3 % and a 3MLCT lifetime of 477 ns, while 3 2+ is much less luminescent. This different behaviour is ascribed to the energy gap law and the shape of the parasitic excited 3MC state potential energy surface. This study highlights the importance of the excited state energies and geometries for the actual excited state dynamics. Aromatic and aliphatic amines reductively quench the excited state of 22+ paving the way to photocatalytic applications using low-energy green light as exemplified with the green-light sensitized thiol-ene click reaction. KW - Green light excitation KW - Ruthenium(II) complexes KW - Phosphorescence KW - MLCT KW - Photoinduced electron transfer PY - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-506759 SP - 1 EP - 13 PB - Wiley-VCH Verlag AN - OPUS4-50675 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wang, Xin A1 - Chakraborty, J. A1 - Bassil, A. A1 - Niederleithinger, Ernst T1 - Detection of Multiple Cracks in Four-Point Bending Tests Using the Coda Wave Interferometry Method N2 - The enlargement of the cracks outside the permitted dimension is one of the main causes for the reduction of service life of Reinforced Concrete (RC) structures. Cracks can develop due to many causes such as dynamic or static load. When tensile stress exceeds the tensile strength of RC, cracks appear. Traditional techniques have limitations in early stage damage detection and localisation, especially on large-scale structures. The ultrasonic Coda Wave Interferometry (CWI) method using diffuse waves is one of the most promising methods to detect subtle changes in heterogeneous materials, such as concrete. In this paper, the assessment of the CWI method applied for multiple cracks opening detection on two specimens based on four-point bending test is presented. Both beams were monitored using a limited number of embedded Ultrasonic (US) transducers as well as other transducers and techniques (e.g., Digital Image Correlation (DIC), LVDT sensors, strain gauges, and Fiber Optics Sensor (FOS)). Results show that strain change and crack formation are successfully and efficiently detected by CWI method even earlier than by the other techniques. The CWI technique using embedded US transducers is undoubtedly a feasible, efficient, and promising method for long-term monitoring on real infrastructure. KW - Coda wave interferometry KW - Reinforced concrete KW - Cracks KW - SHM KW - Damage detection PY - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-506666 VL - 20 IS - 7 SP - 1 EP - 17 PB - MDPI CY - Basel AN - OPUS4-50666 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Biegler, M. A1 - Wang, J. A1 - Graf, B. A1 - Rethmeier, Michael T1 - Automated tool-path generation for rapid manufacturing and numerical simulation of additive manufacturing LMD geometries N2 - In additive manufacturing (AM) Laser Metal Deposition (LMD), parts are built by welding layers of powder feedstock onto a substrate. Applications for steel powders include forging tools and structural components for various industries. For large parts, the choice of tool-paths influences the build-rate, the part performance and the distortions in a highly geometry-dependent manner. With weld-path lengths in the range of hundreds of meters, a reliable, automated tool path generation is essential for the usability of LMD processes. In this contribution, automated tool-path generation approaches are shown and their results are discussed for arbitrary geometries. The investigated path strategies are the classical approaches: “Zig-zag-” and “contour-parallel-strategies”. After generation, the tool-paths are automatically formatted into g-code for experimental build-up and ASCII for a numerical simulation model. Finally, the tool paths are discussed in regards to volume-fill, microstructure and porosity for the experimental samples. This work presents a part of the IGF project 18737N “Welding distortion simulation” (FOSTA P1140) T2 - 4th European Steel Technology and Application Days CY - Dusseldorf, Germany DA - 24.06.2019 KW - Additive manufacturing KW - Directed Energy Deposition KW - Path planning KW - DED KW - Mechanical properties KW - Porosity PY - 2019 SP - 1 AN - OPUS4-50045 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Maisuls, I. A1 - Wang, Cui A1 - Gutierrez Suburu, M. E. A1 - Wilde, S. A1 - Daniliuc, C.-G. A1 - Brunink, D. A1 - Doltsinis, N. L. A1 - Ostendorp, S. A1 - Kösters, J. A1 - Resch-Genger, Ute A1 - Strassert, C. A. T1 - Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(II) and Pd(II) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters N2 - In this work, we describe the synthesis, structural and photophysical characterization of four novel Pd(II) and Pt(II) complexes bearing tetradentate luminophoric ligands with high photoluminescence quantum yields (FL) and long excited state lifetimes (s) at room temperature, where the results were interpreted by means of DFT calculations. Incorporation of fluorine atoms into the tetradentate ligand favors aggregation and thereby, a shortened average distance between the metal centers, which provides accessibility to metal–metal-to-ligand charge-transfer (3MMLCT) excimers acting as red-shifted Energy traps if compared with the monomeric entities. This supramolecular approach provides an elegant way to enable room-temperature phosphorescence from Pd(II) complexes, which are otherwise quenched by a thermal population of dissociative states due to a lower ligand field splitting. Encapsulation of These complexes in 100 nm-sized aminated polystyrene nanoparticles enables concentration-controlled aggregation-enhanced dual emission. This phenomenon facilitates the tunability of the absorption and emission colors while providing a rigidified environment supporting an enhanced FL up to about 80% and extended s exceeding 100 ms. Additionally, these nanoarrays constitute rare examples for selfreferenced oxygen reporters, since the phosphorescence of the aggregates is insensitive to external influences, whereas the monomeric species drop in luminescence lifetime and intensity with increasing triplet molecular dioxygen concentrations (diffusion-controlled quenching). KW - Fluorescence KW - Multiplexing KW - Lifetime KW - Bead KW - Particle KW - Dye KW - Barcoding KW - Encoding KW - Quantum yield KW - Label KW - Reporter KW - Pd(II) KW - Pt(II) KW - Complex KW - NMR KW - X-ray KW - Sythesis KW - Aggregation KW - Monomer KW - Color PY - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-525288 VL - 12 IS - 9 SP - 3270 EP - 3281 PB - Royal Society of Chemistry AN - OPUS4-52528 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Chakraborty, J. A1 - Wang, Xin A1 - Stolinski, M. T1 - Damage Detection in Multiple RC Structures Based on Embedded Ultrasonic Sensors and Wavelet Transform N2 - This paper summarizes the results of research aimed at assessing cracks in reinforced concrete structures using embedded ultrasonic sensors. The diffuse ultrasonic waves were considered to evaluate the health status of the tested structures. There are different algorithms used to detect cracks in the structure, but most studies have been performed on benchmark reinforced concrete (RC) structures and in laboratory conditions. Since there were difficulties with the validity of Damage detection in real structures in the presence of environmental changes and noises, the application of advanced signal processing methods was necessary. Therefore, the wavelet transform was applied to process ultrasonic signals acquired from multiple civil structures. It is shown that the ultrasonic sensors with an applied wavelet transform algorithm on collected signals can successfully detect cracks in the laboratory as well as in a real environment. Experimental results showed a perfect match for detecting damage and quasi-static load in the presence of environmental changes. The results were confirmed with other techniques. In addition, designing an extra filter for removing noises can be avoided by using the applied algorithms. The obtained results confirmed that diffuse ultrasonic sensor methodology with the proposed algorithm is useful and effective in Monitoring real RC structures, and it is better than traditional techniques. KW - Ultrasound KW - Damage KW - Detection KW - Concrete KW - Wavelet PY - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-523089 VL - 11 IS - 2 SP - 56 PB - MDPI AN - OPUS4-52308 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pu, Y. A1 - Celorrio, V. A1 - Stockmann, Jörg M. A1 - Sobol, Oded A1 - Sun, Z. A1 - Wang, W. A1 - Lawrence, M. J. A1 - Radnik, Jörg A1 - Russel, A. E. A1 - Hodoroaba, Vasile-Dan A1 - Huang, L. A1 - Rodriguez, P. T1 - Surface galvanic formation of Co-OH on Birnessite and its catalytic activity for the oxygen evolution reaction N2 - Low-cost, high-efficient catalysts for water splitting can be potentially fulfilled by developing earthabundant metal oxides. In this work, surface galvanic formation of Co-OH on K0.45MnO2 (KMO) was achieved via the redox reaction of hydrated Co2+ with crystalline Mn4+. The synthesis method takes place at ambient temperature without using any surfactant agent or organic solvent, providing a clean, green route for the design of highly efficient catalysts. The redox reaction resulted in the formation of ultrathin Co-OH nanoflakes with high electrochemical surface area. X-ray absorption spectroscopy (XAS) and X-ray photoelectron spectroscopy (XPS) analysis confirmed the changes in the oxidation state of the bulk and surface species on the Co-OH nanoflakes supported on the KMO. The effect of the anions, such as chloride, nitrate and sulfate, on the preparation of the catalyst was evaluated by electrochemical and spectrochemical means. XPS and Time of flight secondary ion mass spectrometry (ToF-SIMS) analysis demonstrated that the layer of CoOxHy deposited on the KMO and its electronic structure strongly depend on the anion of the precursor used during the synthesis of the catalyst. In particular, it was found that Cl- favors the formation of Co-OH, changing the rate-determining step of the reaction, which enhances the catalytic activity towards the OER, producing the most active OER catalyst in alkaline media. KW - Nanoparticles KW - Oxygen evolution reaction (OER) KW - Catalysis KW - ToF-SIMS KW - XPS KW - K-rich Birnessite (K0.45MnO2) PY - 2021 U6 - https://doi.org/10.1016/j.jcat.2021.02.025 VL - 396 SP - 304 EP - 314 PB - Elsevier Inc. AN - OPUS4-52328 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Otto, S. A1 - Moll, J. A1 - Förster, C. A1 - Geißler, Daniel A1 - Wang, Cui A1 - Resch-Genger, Ute A1 - Heinze, K. T1 - Three-in-One Crystal: The Coordination Diversity of Zinc Polypyridine Complexes N2 - The syntheses, structures, and photophysical properties of two new zinc(II) complexes bearing the tridentate N,N′-dimethyl-N,N′-dipyridin-2-ylpyridine-2,6-diamine (ddpd) ligand are presented. Structural investigations through single-crystal X-ray diffractometry, NMR spectroscopy, and density functional theory calculations revealed a diverse coordination behavior that depends on the counterion. Spectroscopic (UV/Vis and emission spectroscopy) and theoretical techniques (DFT and time-dependent DFT calculations) were employed to explore the photophysical properties of the complexes. KW - Zinc(II) complexes KW - X-ray diffractometry (XRD) KW - NMR spectroscopy KW - Density functional theory (DFT) KW - UV/Vis and emission spectroscopy PY - 2017 U6 - https://doi.org/10.1002/ejic.201700948 SN - 1434-1948 SN - 1099-0682 VL - 43 SP - 5033 EP - 5040 PB - WILEY-VCH Verlag GmbH & Co. KGaA CY - Weinheim AN - OPUS4-43274 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Sargent, M A1 - Goenaga-Infante, H A1 - Inagaki, K A1 - Ma, L A1 - Meija, J A1 - Pramann, A A1 - Rienitz, O A1 - Sturgeon, R A1 - Vogl, Jochen A1 - Wang, J A1 - Yang, L T1 - The role of ICP-MS in inorganic chemical metrology N2 - ICP-MS has played a key role in inorganic chemical metrology for 25 years, from the 1993 CIPM feasibility study which led to establishment of the CCQM. Since that time, the Inorganic Analysis Working Group of the CCQM has organised 56 international comparisons involving measurements by ICP-MS and, in a recent comparison, 16 different national institutes submitted their results using the technique. Metrological applications of ICP-MS currently address an enormous range of measurements using a wide variety of instrumentation, calibration strategies and methodologies. This review provides an overview of the ICP-MS field with an emphasis on developments which are of particular relevance to chemical metrology. Examples from CCQM comparisons and the services available from the participants are used to illustrate how the capability and scope of ICP-MS methods have expanded far beyond the expectations of 1993. This is due in part to the research and development Programmes of the national institutes which participate in the CCQM. They have played a key role in advancing new instrumentation and applications for elemental analysis, isotope dilution mass spectrometry, determination of isotopic ratio or composition, and speciation of organometallic compounds. These developments are continuing today, as demonstrated by work in new fields such as heteroatom quantitation of proteins, characterisation and counting of nanoparticles using spICP-MS, and LA-ICP-MS analysis of solid materials. KW - CCQM KW - Metrology KW - Interlaboratory comparison KW - ICP-MS KW - Mass spectrometry KW - Hyphenated KW - Isotope ratio PY - 2019 U6 - https://doi.org/10.1088/1681-7575/ab0eac VL - 56 IS - 3 SP - 034005 PB - IOP Publishing AN - OPUS4-47929 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Stinville, J.C. A1 - Charpagne, M.A. A1 - Maaß, Robert A1 - Proudhon, H. A1 - Ludwig, W. A1 - Callahan, P.G. A1 - Wang, F. A1 - Beyerlein, I.J. A1 - Echlin, M.P. A1 - Pollock, T.M. T1 - Insights into Plastic Localization by Crystallographic Slip from Emerging Experimental and Numerical Approaches N2 - Advanced experimental and numerical approaches are being developed to capture the localization of plasticity at the nanometer scale as a function of the multiscale and heterogeneous microstructure present in metallic materials. These innovative approaches promise new avenues to understand microstructural effects on mechanical properties, accelerate alloy design, and enable more accurate mechanical property prediction. This article provides an overview of emerging approaches with a focus on the localization of plasticity by crystallographic slip. New insights into the mechanisms and mechanics of strain localization are addressed. The consequences of the localization of plasticity by deformation slip for mechanical properties of metallic materials are also detailed. KW - Slip localization KW - Metallic materials KW - Experimental and numerical techniques KW - Mechanical properties KW - Plasticity PY - 2023 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-578398 SN - 1531-7331 VL - 53 SP - 275 EP - 317 AN - OPUS4-57839 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pu, Y. A1 - Lawrence, M. J. A1 - Celorrio, V. A1 - Wang, Q. A1 - Gu, M. A1 - Sun, Z. A1 - Agudo Jácome, Leonardo A1 - Russell, A. E. A1 - Huang, L. A1 - Rodriguez, P. T1 - Nickel confined in 2D earth-abundant oxide layers for highly efficient and durable oxygen evolution catalysts N2 - Low cost, high-efficiency catalysts towards water splitting are urgently required to fulfil the increasing demand for energy. In this work, low-loading (<20 wt%) Ni-confined in layered metal oxide anode catalysts (birnessite and lepidocrocite titanate) have been synthesized by facile ion exchange methodology and subjected to systematic electrochemical studies. It was found that Ni-intercalated on K-rich birnessite (Ni-KMO) presents an onset overpotential (ηonset) as low as 100 mV and overpotential at 10 mA cm−2 (η10) of 206 mV in pH = 14 electrolyte. By combining electrochemical methods and X-ray absorption and emission spectroscopies (XAS and XES), we demonstrate Ni sites are the active sites for OER catalysis and that the Mn3+ sites facilitate Ni intercalation during the ion-exchange process, but display no observable contribution towards OER activity. The effect of the pH and the nature of the supporting electrolyte on the electrochemical performance was also evaluated. KW - Confined catalyst KW - Low-loading KW - Layered manganese oxide KW - Oxygen evolution reaction KW - Transmission electron microscopy (TEM) PY - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-515027 SN - 2050-7496 SN - 2050-7488 VL - 8 IS - 26 SP - 13340 EP - 13350 PB - Royal Society of Chemistry CY - London AN - OPUS4-51502 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Seah, M.P. A1 - Unger, Wolfgang A1 - Wang, H. A1 - Jordaan, W. A1 - Gross, Thomas A1 - Dura, J.A. A1 - Moon, D.W. A1 - Totarong, P. A1 - Krumrey, M. A1 - Hauert, R. A1 - Zhiqiang, M. T1 - Ultra-thin SiO2 on Si IX: absolute measurements of the amount of silicon oxide as a thickness of SiO2 on Si N2 - Results from a study conducted between National Metrology Institutes (NMIs) for the measurements of the absolute thicknesses of ultra-thin layers of SiO2 on Si are reported. These results are from a key comparison and associated pilot study under the auspices of the Consultative Committee for Amount of Substance. ´Amount of substance´ may be expressed in many ways, and here the measurand is the thickness of the silicon oxide layers with nominal thicknesses in the range 1.5-8 nm on Si substrates, expressed as the thickness of SiO2. Separate samples were provided to each institute in containers that limited the carbonaceous contamination to approximately < 0.3 nm. The SiO2 samples were of ultra-thin on (100) and (111) orientated wafers of Si. The measurements from the laboratories which participated in the study were conducted using ellipsometry, neutron reflectivity, X-ray photoelectron spectroscopy or X-ray reflectivity, guided by the protocol developed in an earlier pilot study. A very minor correction was made in the different samples that each laboratory received. Where appropriate, method offset values attributed to the effects of contaminations, from the earlier pilot study, were subtracted. Values for the key comparison reference values (agreed best values from a Consultative Committee study) and their associated uncertainties for these samples are then made from the weighted means and the expanded weighted standard deviations of the means of these data. These results show a dramatic improvement on previous comparisons, leading to 95% uncertainties in the range 0.09-0.27 nm, equivalent to 0.4-1.0 monolayers over the 1.5-8.0 nm nominal thickness range studied. If the sample-to-sample uncertainty is reduced from its maximum estimate to the most likely value, these uncertainties reduce to 0.05-0.25 nm or ~1.4% relative standard uncertainties. The best results achieve ~1% relative standard uncertainty. It is concluded that XPS has now been made fully traceable to the SI, for ultra-thin thermal SiO2 on Si layers, by calibration using wavelength methods in an approach that may be extended to other material systems. KW - Attenuation length KW - Calibration KW - Silicon dioxide KW - Thickness KW - Ultra-thin oxide PY - 2009 U6 - https://doi.org/10.1002/sia.3045 SN - 0142-2421 SN - 1096-9918 VL - 41 IS - 5 SP - 430 EP - 439 PB - Wiley CY - Chichester AN - OPUS4-19246 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wang, X.-D. A1 - Meier, R.J. A1 - Schmittlein, C. A1 - Schreml, S. A1 - Schäferling, Michael A1 - Wolfbeis, Otto S. T1 - A water-sprayable, thermogelating and biocompatible polymer host for use in fluorescent chemical sensing and imaging of oxygen, pH values and temperature N2 - We report on the use of a sprayable and thermogelating biomaterial (Poloxamer™; a.k.a. Pluronic™) in optical imaging of pH values, local oxygen and temperature. The material is highly biocompatible and easy to handle. We also show that the material is well permeable to oxygen (thus making it a good choice for use in oxygen sensors), and is stable in liquid solution and at elevated temperature. We demonstrate its applicability in optical sensors for oxygen, pH and temperature. This was accomplished by incorporating appropriate luminescent probes in various kinds of microparticles (which act as hosts for the probes and prevent dye leaching and aggregation), and then dispersing the microparticles in the thermogelating polymer. The resulting sensor gels were deposited on the surface of interest via spraying at temperatures of <20 °C. At these temperatures, the gels adhere well to the target, even on uneven surfaces such as skin, wounds, and bacterial cultures. If temperature is risen to above 25 °C, the gels form a thin and soft but solid sensing layer which, however, can be simply removed from surface of interest by cooling and wiping it off, or by washing with water. Sprayable thermogelating sensors present obvious advantages over other sensors by not causing damage to the surface of interest. In our perception, the sensing materials also have wide further applicability in sensors for other species including clinically relevant gases, enzyme substrates (such as glucose or lactate) and ions. KW - Chemical sensing KW - Imaging KW - Biocompatible polymer KW - Sprayable sensor KW - Fluorescence KW - Poloxamer KW - Pluronic KW - Oxygen sensor KW - pH sensor KW - Temperature sensor PY - 2015 U6 - https://doi.org/10.1016/j.snb.2015.05.082 SN - 0925-4005 SN - 1873-3077 VL - 221 SP - 37 EP - 44 PB - Elsevier CY - Amsterdam [u.a.] AN - OPUS4-33855 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Leng, Jing A1 - Szymoniak, Paulina A1 - Kang, N.-J. A1 - Wang, D-Y A1 - Wurm, A. A1 - Schick, C. A1 - Schönhals, Andreas T1 - Influence of interfaces on the crystallization behavior and the rigid amorphous phase of poly(l-lactide)-based nanocomposites with different layered doubled hydroxides as nanofiller N2 - Based on the three-phase model of semi-crystalline polymers, we determined all phase fractions of the NiAl-LDH/PLLA nanocomposites in dependence on the concentration of the nanofiller. Moreover, the rigid amorphous fraction (RAF) was separated into the RAFcrystal and the RAFfiller unbiasedly. A detailed comparison to the related nanocomposite system MgAl-LDH/PLLA was made considering that Mg and Ni have different atomic weights. As a first result is was found that NiAl-LDH/PLLA displays a higher crystallization rate compared to MgAl-LDH/PLLA, which is related to the different morphologies of the two nanocomposite systems. For both systems RAFcrystal increases with increasing concentration of the nanofiller. This means in the case of the nanocomposite not each crystal produces the same amount of RAF, as often assumed. Also, RAFfiller increases with the concentration for both systems but in a different way. This is discussed considering again the different morphologies of both nanocomposites. KW - Polymer-based nanocomposites KW - Temperature modulated differential scanning calorimetry PY - 2019 U6 - https://doi.org/10.1016/j.polymer.2019.121929 VL - 184 SP - 121929 PB - Elesevier Ltd. AN - OPUS4-49557 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -