TY - JOUR A1 - Molloy, J. L. A1 - Winchester, M. R. A1 - Butler, T. A. A1 - Possolo, A. M. A1 - Rienitz, O. A1 - Roethke, A. A1 - Goerlitz, V. A1 - Caciano de Sena, R. A1 - Dominguez Almeida, M. A1 - Yang, L. A1 - Methven, B. A1 - Nadeau, K. A1 - Romero Arancibia, P. A1 - Bing, W. A1 - Tao, Z. A1 - Snell, J. A1 - Vogl, Jochen A1 - Koenig, Maren A1 - Kotnala, R. K. A1 - Swarupa Tripathy, S. A1 - Elishian, C. A1 - Ketrin, R. A1 - Suzuki, T. A1 - Oduor Okumu, T. A1 - Yim, Y.-H. A1 - Heo, S. W. A1 - Min, H. S. A1 - Sub Han, M. A1 - Lim, Y. A1 - Velina Lara Manzano, J. A1 - Segoviano Regalado, F. A1 - Arvizu Torres, M. A1 - Valle Moya, E. A1 - Buzoianu, M. A1 - Sobina, A. A1 - Zyskin, V. A1 - Sobina, E. A1 - Migal, P. A1 - Linsky, M. A1 - Can, S. Z. A1 - Ari, B. A1 - Goenaga Infante, H. T1 - CCQM-K143 Comparison of Copper Calibration Solutions Prepared by NMIs/DIs N2 - CCQM-K143 is a key comparison that assesses participants’ ability to prepare single element calibration solutions. Preparing calibration solutions properly is the cornerstone of establishing a traceability link to the International System of Units (SI), and therefore should be tested in order to confirm the validity of CCQM comparisons of more complex materials. CCQM-K143 consisted of participants each preparing a single copper calibration solution at 10 g/kg copper mass fraction and shipping 10 bottled aliquots of that solution to the coordinating laboratory, the National Institute of Standards and Technology (NIST). The masses and mass fraction for the prepared solutions were documented with the submitted samples. The solutions prepared by all participants were measured at NIST by high performance inductively coupled plasma optical emission spectroscopy (HP-ICP-OES). The intensity measurements for copper were not mapped onto values of mass fraction via calibration. Instead, ratios were computed between the measurements for copper and simultaneous measurements for manganese, the internal standard, and all subsequent data reductions, including the computation of the KCRV and the degrees of equivalence, were based on these ratios. Other than for two participants whose measurement results appeared to suffer from calculation or preparation errors, all unilateral degrees of equivalence showed that the measured values did not differ significantly from the KCRV. These results were confirmed by a second set of ICP-OES measurements performed by the Physikalisch-Technische Bundesanstalt (PTB). CCQM-K143 showed that participants are capable of preparing calibration solutions starting from high purity, assayed copper metal. Similar steps are involved when preparing solutions for other elements, so it seems safe to infer that similar capabilities should prevail when preparing many different, single-element solutions. KW - Metrology KW - Primary calibration solution KW - Traceability PY - 2020 DO - https://doi.org/10.1088/0026-1394/58/1A/08006 SN - 0026-1394 VL - 58 IS - 1A SP - 08006 PB - IOP Science CY - Cambridge AN - OPUS4-51983 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Vogl, Jochen A1 - Kipphardt, Heinrich A1 - del Rocío Arvizu Torres, M. A1 - Manzano, J.V.L. A1 - Rodrigues, J.M. A1 - de Sena, R.C. A1 - Yim, Y.-H. A1 - Heo, S.W. A1 - Zhou, T. A1 - Turk, G.C. A1 - Winchester, M. A1 - Yu, L. L. A1 - Miura, T. A1 - Methven, B. A1 - Sturgeon, R. A1 - Jährling, R. A1 - Rienitz, O. A1 - Tunc, M. A1 - Can, S.Z. T1 - Final report of the key comparison CCQM-K72: Purity of zinc with respect to six defined metallic analytes N2 - KEY COMPARISON High purity elements can serve as a realization of the SI unit amount of substance for the specific element. Solutions prepared from high purity metals by applying gravimetric preparation and the concept of molar mass are used as 'calibration' solutions in many fields of analytical chemistry and provide the metrological basis in elemental analysis. Since ideal purity does not exist for real materials, the actual purity of the high purity material must be known with a specified uncertainty. As required uncertainties around 10-4 relative on the purity statement are not accessible in almost all cases by a direct measurement of the element in itself, the indirect approach is followed, where all elements excepting the matrix element itself are measured and their sum is subtracted from the value for ideal purity, which is 1 kg/kg. It was the aim of this comparison to demonstrate the capability of national metrology institutes and designated institutes to determine the purity of pure elements. In order to limit the effort within this comparison, only six metallic impurities (Ag, Al, Cd, Cr, Ni, Tl) in the low mg/kg range are considered in a zinc matrix. It has to be underlined here that the task was to measure the purity of zinc based on the determination of six analytes. The task is not trace analysis of specific analytes in zinc. This subtle distinction defines different measurands. The sample, pure Zn, was cut in pieces of cubic geometry for wet chemical analysis or of pin geometry for GDMS analysis and was sent to the participants. The comparison was run under the auspices of the Inorganic analysis Working Group (IAWG) of the CCQM and was piloted by the BAM Federal Institute for Materials Research and Testing, Berlin, Germany. The majority of the participants applied ICP-MS techniques and only two participants used additionally atomic absorption spectrometry. GDMS was used only by one participant. The observed spreads for the measurement results reported by the participants were significantly lower than those of the preceding study CCQM-P107 and were well below the target uncertainty of 30% relative. As a consequence, comparability within the participating laboratories is demonstrated to be established. The individual measurement results, mean values and medians derived were in all cases very consistent with the reference values obtained by IDMS and so the accuracy of the measurement results for the participating laboratories is as well demonstrated to be established. Especially with the results of CCQM-P62 and CCQM-P107 in mind, the outcome of CCQM-K72 can be considered as a big step forward in the community. CCQM is aware of the difference between a characterization based on only six analytes and a complete characterization. Therefore, the pilot study CCQM-P149 has been initiated and already started, which focuses on the fit-for-purpose approaches for the purity determination of metals (here: zinc) to be used as primary standards in elemental analysis. Another follow-up in the form of a pilot study on non-metal impurities is mandatory, because non-metal impurities such as oxygen, nitrogen and sulfur often make up the largest contributions. Main text. To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database kcdb.bipm.org/. The final report has been peer-reviewed and approved for publication by the CCQM, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA). KW - CCQM KW - Metrology KW - Purity PY - 2014 DO - https://doi.org/10.1088/0026-1394/51/1A/08008 SN - 0026-1394 SN - 1681-7575 VL - 51 IS - 1A (Tech.Suppl. 2014) SP - 08008, 1 EP - 40 PB - Inst. of Physics Publ. CY - Bristol AN - OPUS4-30772 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Vogl, Jochen A1 - Kipphardt, Heinrich A1 - Richter, Silke A1 - Bremser, Wolfram A1 - Arvizu Torres, M. A1 - Lara Manzano, J. A1 - Buzoianu, M. A1 - Hill, S. A1 - Petrov, P. A1 - Goenaga-Infante, H. A1 - Sargent, M. A1 - Fisicaro, P. A1 - Labarraque, G. A1 - Zhou, T. A1 - Turk, G. C. A1 - Winchester, M. A1 - Miura, T. A1 - Methven, B. A1 - Sturgeon, R. A1 - Jährling, R. A1 - Rienitz, O. A1 - Mariassy, M. A1 - Hankova, Z. A1 - Sobina, E. A1 - Krylov, A. I. A1 - Kustikov, Y. A. A1 - Smirnov, V. V. T1 - Establishing comparability and compatibility in the purity assessment of high purity zinc as demonstrated by the CCQM-P149 intercomparison N2 - For the first time, an international comparison was conducted on the determination of the purity of a high purity element. Participants were free to choose any analytical approach appropriate for their institute’s applications and services. The material tested was a high purity zinc, which had earlier been assessed for homogeneity and previously used in CCQM-K72 for the determination of six defined metallic impurities. Either a direct metal assay of the Zn mass fraction was undertaken by EDTA titrimetry, or an indirect approach was used wherein all impurities, or at least the major ones, were determined and their sum subtracted from ideal purity of 100 %, or 1 kg/kg. Impurity assessment techniques included glow discharge mass spectrometry, inductively coupled plasma mass spectrometry and carrier gas hot extraction/combustion analysis. Up to 91 elemental impurities covering metals, non-metals and semi-metals/metalloids were quantified. Due to the lack of internal experience or experimental capabilities, some participants contracted external laboratories for specific analytical tasks, mainly for the analysis of non-metals. The reported purity, expressed as zinc mass fraction in the high purity zinc material, showed excellent agreement for all participants, with a relative standard deviation of 0.011 %. The calculated reference value, w(Zn) = 0.999 873 kg/kg, was assigned an asymmetric combined uncertainty of + 0.000025 kg/kg and – 0.000028 kg/kg. Comparability amongst participating metrology institutes is thus demonstrated for the purity determination of high purity metals which have no particular difficulties with their decomposition / dissolution process when solution-based analytical methods are used, or which do not have specific difficulties when direct analysis approaches are used. Nevertheless, further development is required in terms of uncertainty assessment, quantification of non-metals and the determination of purity of less pure elements and/or for those elements suffering difficulties with the decomposition process. KW - Purity assessment KW - Direct metal assay KW - Impurity assessment KW - Non-metal analysis KW - High-purity elements KW - SI-traceability PY - 2018 DO - https://doi.org/10.1088/1681-7575/aaa677 SN - 1681-7575 SN - 0026-1394 VL - 55 IS - 2 SP - 211 EP - 221 PB - Institute of Physics Publishing CY - Bristol AN - OPUS4-44257 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Moreno Torres, Benjamí A1 - Völker, Christoph A1 - Munsch, Sarah Mandy A1 - Hanke, T. A1 - Kruschwitz, Sabine ED - Tosti, F. T1 - An Ontology-Based Approach to Enable Data-Driven Research in the Field of NDT in Civil Engineering N2 - Although measurement data from the civil engineering sector are an important basis for scientific analyses in the field of non-destructive testing (NDT), there is still no uniform representation of these data. An analysis of data sets across different test objects or test types is therefore associated with a high manual effort. Ontologies and the semantic web are technologies already used in numerous intelligent systems such as material cyberinfrastructures or research databases. This contribution demonstrates the application of these technologies to the case of the 1H nuclear magnetic resonance relaxometry, which is commonly used to characterize water content and porosity distri-bution in solids. The methodology implemented for this purpose was developed specifically to be applied to materials science (MS) tests. The aim of this paper is to analyze such a methodology from the perspective of data interoperability using ontologies. Three benefits are expected from this ap-proach to the study of the implementation of interoperability in the NDT domain: First, expanding knowledge of how the intrinsic characteristics of the NDT domain determine the application of semantic technologies. Second, to determine which aspects of such an implementation can be improved and in what ways. Finally, the baselines of future research in the field of data integration for NDT are drawn. KW - Ontology Engineering KW - Interoperability KW - Data-integration KW - NMR relaxometry KW - materials informatics PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-529716 DO - https://doi.org/10.3390/rs13122426 SN - 2072-4292 N1 - Geburtsname von Munsch, Sarah Mandy: Nagel, S. M. - Birth name of Munsch, Sarah Mandy: Nagel, S. M. VL - 13 IS - 12 SP - 2426 PB - Multidisciplinary Digital Publishing Institute (MDPI) CY - Basel, Switzerland AN - OPUS4-52971 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lozano-Torres, B. A1 - Marcos, M. Dolores A1 - Pardo, T. A1 - Sancenón, F. A1 - Martínez-Mánez, Ramon A1 - Rurack, Knut T1 - Anilinopyridine–metal complexes for the selective chromogenic sensing of cyanide anion N2 - Probe 1, which contains an anilinopyridine chromophore and an azaoxa macrocyclic subunit, presented an absorption band centered at 340 nm in acetonitrile. Addition of Fe(III), Cr(III) and Hg(II) induced the growth of a new absorption band at 430 nm (with color change from colorless to yellow), whereas in the presence of Cu(II), Zn(II) and Pb(II), less marked changes were observed. The color changes observed upon addition of Fe(III), Cr(III) and Hg(II) were ascribed to the formation of 1:1 stoichiometry complexes with probe 1. Coordination of Fe(III), Cr(III) and Hg(II) with the pyridine fragment of 1 induced an enhancement of the charge transfer character accompanied with a marked bathochromic shift that was reflected in a color change from colorless to yellow. The strength of the interaction between probe 1 and Fe(III) cation was modulated upon interaction with anions. Of all the anions tested, only cyanide was able to induce the bleaching of the yellow 1·Fe(III) complex solution. This bleaching was ascribed to the formation of 1·Fe(III)-CN complex that restored, to some extent, the optical features of the free probe allowing the chromogenic sensing of cyanide. Besides, 1·Fe(III) complex was used to detect cyanide in acetonitrile-water 90:10 v/v mixtures with good recoveries. KW - Anilinopyridine KW - Charge Transfer KW - Iron Complex KW - Colorimetric Test KW - Cyanide PY - 2018 DO - https://doi.org/10.1080/00958972.2018.1434719 SN - 0095-8972 VL - 71 IS - 6 SP - 786 EP - 796 PB - Taylor & Francis Group CY - London AN - OPUS4-45398 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bayerlein, Bernd A1 - Hanke, T. A1 - Muth, Thilo A1 - Riedel, Jens A1 - Schilling, Markus A1 - Schweizer, C. A1 - Skrotzki, Birgit A1 - Todor, A. A1 - Moreno Torres, Benjami A1 - Unger, Jörg F. A1 - Völker, Christoph A1 - Olbricht, Jürgen T1 - A Perspective on Digital Knowledge Representation in Materials Science and Engineering N2 - The amount of data generated worldwide is constantly increasing. These data come from a wide variety of sources and systems, are processed differently, have a multitude of formats, and are stored in an untraceable and unstructured manner, predominantly in natural language in data silos. This problem can be equally applied to the heterogeneous research data from materials science and engineering. In this domain, ways and solutions are increasingly being generated to smartly link material data together with their contextual information in a uniform and well-structured manner on platforms, thus making them discoverable, retrievable, and reusable for research and industry. Ontologies play a key role in this context. They enable the sustainable representation of expert knowledge and the semantically structured filling of databases with computer-processable data triples. In this perspective article, we present the project initiative Materials-open-Laboratory (Mat-o-Lab) that aims to provide a collaborative environment for domain experts to digitize their research results and processes and make them fit for data-driven materials research and development. The overarching challenge is to generate connection points to further link data from other domains to harness the promised potential of big materials data and harvest new knowledge. KW - Data infrastructures KW - Digital representations KW - Digital workflows KW - Knowledge graphs KW - Materials informatics KW - Ontologies KW - Vocabulary providers PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-546729 DO - https://doi.org/10.1002/adem.202101176 SN - 1438-1656 SP - 1 EP - 14 PB - Wiley-VCH GmbH CY - Weinheim AN - OPUS4-54672 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Véliz Montes, Cinthya A1 - Memczak, H. A1 - Gyssels, E. A1 - Torres, T. A1 - Madder, A. A1 - Schneider, Rudolf T1 - Photoinduced cross-linking of short Furan-modified DNA on surfaces N2 - We report for the first time the formation of sitespecific interstrand cross-linked (ICL) surface-immobilized furanmodified DNA duplexes via singlet oxygen. 1O2, necessary for effecting furan-mediated ICL formation, was produced in situ using methylene blue or a zinc phthalocyanine derivative (TT1) as a photosensitizer. Via surface plasmon resonance spectroscopy, we show that surface ICL was achieved, and a robust link formed that enhances the stability of the 12-mer duplex even after surface regeneration. The described method represents a novel platform technology based on surfaces with addressable and stable DNA duplexes requiring only short oligonucleotides. KW - DNA interstrand cross-link (ICL) KW - Furanmodified DNA duplexes KW - Surface plasmon resonance spectroscopy PY - 2017 DO - https://doi.org/10.1021/acs.langmuir.6b03855 SN - 0743-7463 SN - 1520-5827 VL - 33 IS - 5 SP - 1197 EP - 1201 PB - ACS Publications AN - OPUS4-39155 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Philipp, Rosemarie A1 - Schantz, M. A1 - Urquiza, M.P. A1 - Calderón, M.A.A. A1 - Torres, M.M. A1 - Carter, D. A1 - O'Connor, G. A1 - Sejeroe-Olsen, B. A1 - Ricci, M. A1 - Lalere, B. A1 - Peignaux, M. A1 - Kim, D.-H. A1 - Itoh, N. A1 - Wong, S.-K. A1 - Man, T.O. A1 - Caixeiro, J.M.R. T1 - CCQM-K50: Polycyclic aromatic hydrocarbons (PAHs) in soil/particulate matter PY - 2010 DO - https://doi.org/10.1088/0026-1394/47/1A/08006 SN - 0026-1394 SN - 1681-7575 VL - 47 SP - 08006-1 - 08006-47 PB - Inst. of Physics Publ. CY - Bristol AN - OPUS4-20821 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ricci, M. A1 - Shegunova, P. A1 - Conneely, P. A1 - Becker, Roland A1 - Torres, M. M. A1 - Osuna, M. A. A1 - On, T.P. A1 - Man, L.H. A1 - Baek, S.-Y. A1 - Kim, B. A1 - Hopley, C. A1 - Liscio, C. A1 - Warren, J. A1 - Le Diouron, V. A1 - Lardy-Fontan, S. A1 - Lalere, B. A1 - Mingwu, S. A1 - Kucklick, J. A1 - Vamathevan, V. A1 - Matsuyama, S. A1 - Numata, M. A1 - Brits, M. A1 - Quinn, L. A1 - Fernandes-Whaley, M. A1 - Gören, A.C. A1 - Binici, B. A1 - Konopelko, L. A1 - Krylov, A. A1 - Mikheeva, A. T1 - CCQM-K102: Polybrominated diphenyl ethers in sediment N2 - The key comparison CCQM-K102: Polybrominated diphenyl ethers in sediment was coordinated by the JRC, Directorate F - Health, Consumers & Reference Materials, Geel (Belgium) under the auspices of the Organic Analysis Working Group (OAWG) of the Comité Consultatif pour la Quantité de Matière (CCQM). Thirteen National Metrology institutes or Designated Institutes and the JRC participated. Participants were requested to report the mass fraction (on a dry mass basis) of BDE 47, 99 and 153 in the freshwater sediment study material. The sediment originated from a river in Belgium and contained PBDEs (and other pollutants) at levels commonly found in environmental samples. The comparison was designed to demonstrate participants' capability of analysing non-polar organic molecules in abiotic dried matrices (approximate range of molecular weights: 100 to 800 g/mol, polarity corresponding to pKow < −2, range of mass fraction: 1–1000 μg/kg). All participants (except one using ultrasonic extraction) applied Pressurised Liquid Extraction or Soxhlet, while the instrumental analysis was performed with GC-MS/MS, GC-MS or GC-HRMS. Isotope Dilution Mass Spectrometry approach was used for quantification (except in one case). The assigned Key Comparison Reference Values (KCRVs) were the medians of thirteen results for BDE 47 and eleven results for BDE 99 and 153, respectively. BDE 47 was assigned a KCRV of 15.60 μg/kg with a combined standard uncertainty of 0.41 μg/kg, BDE 99 was assigned a KCRV of 33.69 μg/kg with a combined standard uncertainty of 0.81 μg/kg and BDE 153 was assigned a KCRV of 6.28 μg/kg with a combined standard uncertainty of 0.28 μg/kg. The k-factor for the estimation of the expanded uncertainty of the KCRVs was chosen as k = 2. KW - Intercomparison KW - Traceability KW - Nation metrology institutes PY - 2017 DO - https://doi.org/10.1088/0026-1394/54/1A/08026 SN - 0026-1394 SN - 1681-7575 VL - 54 SP - 08026, 1 EP - 82 AN - OPUS4-41998 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -