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 DO - 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 - JOUR A1 - Westwood, S. A1 - Josephs, R. D. A1 - Choteau, T. A1 - Martos, G. A1 - Wielgosz, R. A1 - Sarzuri, Y. A. A1 - Mendoza, E. A1 - do Rego, E. C. P. A1 - Violante, F. G. M. A1 - da Silva Souza, W. A1 - de Carvalho, L. J. A1 - Fernandes, J. L. N. A1 - Bates, J. A1 - Rajotte, I. A1 - Melanson, J. E. A1 - Li, H. A1 - Guo, Z. A1 - Su, F. A1 - Wang, S. A1 - Huang, T. A1 - Lalerle, B. A1 - Gantois, F. A1 - Piechotta, Christian A1 - Philipp, Rosemarie A1 - Kaminski, Katja A1 - Klyk-Seitz, Urzsula-Anna A1 - Giannikopoulou, P. A1 - Skotidaki, E. A1 - Kakoulides, E. A1 - Pui-Kwan, C. A1 - Kuroe, M. A1 - Itoh, N. A1 - Calderón, M. A. A. A1 - Contreras, L. R. A1 - Osuna, M. A. A1 - Alrashed, M. A1 - Ting, L. A1 - Mei, G. E. A1 - Juan, W. A1 - Sze, C. P. A1 - Lin, T. T. A1 - Quinn, L. A1 - Swiegelaar, C. A1 - Fernandes-Whaley, M. A1 - Ahn, S. A1 - Chaiphet, T. A1 - Sudsiri, N. A1 - Bellazreg, W. A1 - Bilsel, M. A1 - Colombo, G. T1 - Key comparison CCQM-K78.b - non-polar analytes in organic solvent: methoxychlor and trifluralin in acetonitrile N2 - The CCQM-K78.b key comparison was coordinated by the Bureau International des Poids et Mesures (BIPM) on behalf of the CCQM Organic Analysis Working Group (OAWG) of the 'Comité Consultatif pour la Quantité de Matière' (CCQM), for National Measurement Institutes (NMIs) and Designated Institutes (DIs) providing measurement services in organic analysis under the 'Comité International des Poids et Mesures' (CIPM) Mutual Recognition Arrangement (MRA). This key comparison was conducted as a 'Track A' comparison within the OAWG's 10-year strategic plan. The goal of CCQM-K78.b was to underpin capabilities for the value assignment of calibration solutions containing low polarity/non-polar organic analytes in organic solvents. The selected model system consisted of a two-component pesticide solution in acetonitrile, comprising methoxychlor and trifluralin. Participants were tasked with assigning the mass fractions, in units of μg/g, of methoxychlor and trifluralin in acetonitrile solution. The mass fraction levels and analytical challenges of the selected analytes were representative of those encountered for calibration solutions of non-polar organic analytes. Participation in CCQM-K78.b allowed for the benchmarking of capabilities for assigning the mass fraction of non-polar organic compounds (pKow < -2) in solution, at mass fractions above 5 μg/g, in an organic solvent. Additionally, the comparison assessed the capabilities for the quantitative assignment of thermally labile compounds. Participants were provided by the BIPM with ampoules containing methoxychlor and trifluralin in acetonitrile. Each participant reported the mass fraction content of each analyte in μg/g. All participants ensured the metrological traceability of their results through the use of a Primary Reference Material (PRM), which was used to prepare a primary calibrator solution for each analyte using a gravimetric procedure. The twenty participating institutes primarily used analysis procedures based on GC-MS, -IDMS, -MS/MS, -ECD, and -FID, with some participants also using LC-UV for the value assignment. The analysis of methoxychlor and trifluralin in acetonitrile solution presented several challenges, including the thermal stability of the analytes under selected analytical techniques, control of solvent volatility, and considerable variation in some results using MS-based quantification methods. The mass fraction assignments for methoxychlor and trifluralin, consistent with the key comparison reference values (KCRVs), were achieved with associated relative standard uncertainties of (0.38 - 2.9) % for methoxychlor and (0.35 - 2.5) % for trifluralin. 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 https://www.bipm.org/kcdb/. 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 - Methoxychlor KW - Trifluralin KW - CCQM KW - Key comparison PY - 2025 DO - https://doi.org/10.1088/0026-1394/62/1A/08010 SN - 0026-1394 VL - 62 IS - 1A SP - 1 EP - 37 PB - IOP Publishing AN - OPUS4-64691 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ahmed, A. A. A. A1 - Alegret, N. A1 - Almeida, B. A1 - Alvarez-Puebla, R. A1 - Andrews, A. M. A1 - Ballerini, L. A1 - Barrios-Capuchino, J. J. A1 - Becker, C. A1 - Blick, R. H. A1 - Bonakdar, S. A1 - Chakraborty, I. A1 - Chen, X. A1 - Cheon, J. A1 - Chilla, G. A1 - Conceicao, A. L. C. A1 - Delehanty, J. A1 - Dulle, M. A1 - Efros, A. L. A1 - Epple, M. A1 - Fedyk, M. A1 - Feliu, N. A1 - Feng, M. A1 - Fernandez-Chacon, R. A1 - Fernandez-Cuesta, I. A1 - Fertig, N. A1 - Förster, S. A1 - Garrido, J. A. A1 - George, M. A1 - Guse, A. H. A1 - Hampp, N. A1 - Harberts, J. A1 - Han, J. A1 - Heekeren, H. R. A1 - Hofmann, U. G. A1 - Holzapfel, M. A1 - Hosseinkazemi, H. A1 - Huang, Y. A1 - Huber, P. A1 - Hyeon, T. A1 - Ingebrandt, S. A1 - Ienca, M. A1 - Iske, A. A1 - Kang, Y. A1 - Kasieczka, G. A1 - Kim, D.-H. A1 - Kostarelos, K. A1 - Lee, J.-H. A1 - Lin, K.-W. A1 - Liu, S. A1 - Liu, X. A1 - Liu, Y. A1 - Lohr, C. A1 - Mailänder, V. A1 - Maffongelli, L. A1 - Megahed, S. A1 - Mews, A. A1 - Mutas, M. A1 - Nack, L. A1 - Nakatsuka, N. A1 - Oertner, T. G. A1 - Offenhäusser, A. A1 - Oheim, M. A1 - Otange, B. A1 - Otto, F. A1 - Patrono, E. A1 - Peng, B. A1 - Picchiotti, A. A1 - Pierini, F. A1 - Pötter-Nerger, M. A1 - Pozzi, M. A1 - Pralle, A. A1 - Prato, M. A1 - Qi, B. A1 - Ramos-Cabrer, P. A1 - Resch-Genger, Ute A1 - Ritter, N. A1 - Rittner, M. A1 - Roy, S. A1 - Santoro, F. A1 - Schuck, N. W. A1 - Schulz, F. A1 - Seker, E. A1 - Skiba, M. A1 - Sosniok, M. A1 - Stephan, H. A1 - Wang, R. A1 - Wang, T. A1 - Wegner, Karl David A1 - Weiss, P. S. A1 - Xu, M. A1 - Yang, C. A1 - Zargarin, S. S. A1 - Zeng, Y. A1 - Zhou, Y. A1 - Zhu, D. A1 - Zierold, R. A1 - Parak, W. J. T1 - Interfacing with the Brain: How Nanotechnology Can Contribute N2 - Interfacing artificial devices with the human brain is the central goal of neurotechnology. Yet, our imaginations are often limited by currently available paradigms and technologies. Suggestions for brain−machine interfaces have changed over time, along with the available technology. Mechanical levers and cable winches were used to move parts of the brain during the mechanical age. Sophisticated electronic wiring and remote control have arisen during the electronic age, ultimately leading to plug-and-play computer interfaces. Nonetheless, our brains are so complex that these visions, until recently, largely remained unreachable dreams. The general problem, thus far, is that most of our technology is mechanically and/or electrically engineered, whereas the brain is a living, dynamic entity. As a result, these worlds are difficult to interface with one another. Nanotechnology, which encompasses engineered solid-state objects and integrated circuits, excels at small length scales of single to a few hundred nanometers and, thus, matches the sizes of biomolecules, biomolecular assemblies, and parts of cells. Consequently, we envision nanomaterials and nanotools as opportunities to interface with the brain in alternative ways. Here, we review the existing literature on the use of nanotechnology in brain−machine interfaces and look forward in discussing perspectives and limitations based on the authors’ expertise across a range of complementary disciplines from neuroscience, engineering, physics, and chemistry to biology and medicine, computer science and mathematics, and social science and jurisprudence. We focus on nanotechnology but also include information from related fields when useful and complementary. KW - Nanoneuro interface KW - Brain-on-a-chip KW - Nanostructured interface KW - Electrode arrays KW - Neuro-implants KW - Advanced nanomaterials KW - Quality assurance PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-634893 DO - https://doi.org/10.1021/acsnano.4c10525 SN - 1936-086X VL - 19 IS - 11 SP - 10630 EP - 10717 PB - ACS Publications AN - OPUS4-63489 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 DO - 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 - Westwood, S. A1 - Josephs, R. A1 - Choteau, T. A1 - Daireaux, A. A1 - Stoppacher, N. A1 - Wielgosz, R. A1 - Davies, S. A1 - do Rego, E. A1 - Wollinger, W. A1 - Garrido, B. A1 - Fernandes, J. A1 - Lima, J. A1 - Oliveira, R. A1 - de Sena, R. A1 - Windust, A. A1 - Huang, T. A1 - Dai, X. A1 - Quan, C. A1 - He, H. A1 - Zhang, W. A1 - Wei, C. A1 - Li, N. A1 - Gao, D. A1 - Liu, Z. A1 - Lo, M. A1 - Wong, W. A1 - Pfeifer, Dietmar A1 - Koch, Matthias A1 - Dorgerloh, Ute A1 - Rothe, Robert A1 - Philipp, Rosemarie A1 - Hanari, N. A1 - Rezali, M. A1 - Arzate, C. A1 - Berenice, M. A1 - Caballero, V. A1 - Osuna, M. A1 - Krylov, A. A1 - Kharitonov, S. A1 - Lopushanskaya, E. A1 - Liu, Q. A1 - Lin, T. A1 - Fernandes-Whaley, M. A1 - Quinn, L. A1 - Nhlapo, N. A1 - Prevoo-Franzsen, D. A1 - Archer, M. A1 - Kim, B. A1 - Baek, S. A1 - Lee, S. A1 - Lee, J. A1 - Marbumrung, S. A1 - Kankaew, P. A1 - Chaorenpornpukdee, K. A1 - Chaipet, T. A1 - Shearman, K. A1 - Gören, A. A1 - Gündüz, S. A1 - Yilmaz, H. A1 - Un, I. A1 - Bilsel, G. A1 - Clarkson, C. A1 - Bedner, M. A1 - Camara, J. A1 - Lang, B. A1 - Lippa, K. A1 - Nelson, M. A1 - Toman, B. A1 - Yu, L. T1 - Mass fraction assignment of folic acid in a high purity material - CCQM-K55.d (Folic acid) Final Report N2 - The comparison required the assignment of the mass fraction of folic acid present as the main component in the comparison sample. Performance in the comparison is representative of a laboratory's measurement capability for the purity assignment of organic compounds of medium structural complexity [molecular weight range 300–500] and high polarity (pKOW < −2). Methods used by the eighteen participating NMIs or DIs were based on a mass balance (summation of impurities) or qNMR approach, or the combination of data obtained using both methods. The qNMR results tended to give slightly lower values for the content of folic acid, albeit with larger associated uncertainties, compared with the results obtained by mass balance procedures. Possible reasons for this divergence are discussed in the report, without reaching a definitive conclusion as to their origin. The comparison demonstrates that for a structurally complex polar organic compound containing a high water content and presenting a number of additional analytical challenges, the assignment of the mass fraction content property value of the main component can reasonably be achieved with an associated relative standard uncertainty in the assigned value of 0.5% KW - CCQM key comparison KW - Purity assessment KW - Folic acid PY - 2018 UR - https://www.bipm.org/utils/common/pdf/final_reports/QM/K55/CCQM-K55.d.pdf DO - https://doi.org/10.1088/0026-1394/55/1A/08013 VL - 55 IS - Technical Supplement, 2018 SP - 08013, 1 EP - 38 PB - Institute of Physics Publishing (IOP) ; Bureau International des Poids et Mesures AN - OPUS4-44999 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 DO - 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 - CONF A1 - Darvishi Kamachali, Reza A1 - Wang, Lei A1 - Lin, L. L. A1 - Manzoni, Anna Maria A1 - Skrotzki, Birgit A1 - Thompson, G. B. T1 - CALPHAD-informed density-based grain boundary thermodynamics N2 - The Gibbs free energy of a grain boundary is a complex thermodynamic function of temperature, pressure, and composition. These complexities add to the intrinsic crystallographic and chemical constraints imposed by the adjacent bulk phase. Recently we have proposed a density-based model for assessing grain boundary thermodynamics that enables a CALPHAD-informed description of the grain boundary. As such, the Gibbs free energy of the grain boundary is directly linked with available CALPHAD thermodynamic data. In this talk, new aspects of interfacial segregation and phase transformation are revealed by benchmarking the current model for various experimental cases, including several steels, high-entropy alloys and aluminum alloys. The effects of elastic interactions on the grain boundary segregation and the application of the model to a nanocrystalline Pt-Au alloy, with numerous grain boundaries of various characters, will be discussed. T2 - DPG (Deutsche Physiker Gesellschaft) CY - Online meeting DA - 27.09.2021 KW - Density-based model KW - Defects thermodynamics KW - Defects phase diagram KW - CALPHAD KW - Crystal Defects PY - 2021 AN - OPUS4-53556 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zhang, Kun A1 - Pan, L. A1 - Li, J. A1 - Lin, C. T1 - What is the mechanism of the fiber effect on the rheological behavior of cement paste with polycarboxylate superplasticizer? N2 - Compared with most common construction materials, fiber reinforced cementitious materials are well known to exhibit better physical, working and mechanical properties. In this study, three fibers were selected: polypropylene fiber (PPF) and polyvinyl alcohol fiber (PVAF), which represented synthetic fibers, and sisal fiber (SF), which represented natural fibers. Effects of these fibers on the flowability, rheological properties, and adsorption behavior of the cement paste with polycarboxylate superplasticizer (PCE) were investigated. Furthermore, the above experimental results were verified by measuring the contact angle of the fiber with water and PCE solution and the apparent morphology of the fiber. Results revealed that the addition of fibers significantly reduces the fluidity of the cement paste, while the yield stress and plastic viscosity of the cement paste increase with the addition of fibers. From the contact angle and scanning electron microscope, the surface of SF was relatively rough, and the contact angle of SF with water or PCE solution was the smallest. It can be concluded that the plant fiber has a significant influence on the fluidity and rheology of cement paste. KW - Cement paste KW - Polycarboxylate superplasticizer KW - Polypropylene fiber KW - Polyvinyl alcohol fiber KW - Sisal fiber KW - Rheological property KW - Fluidity KW - Adsorption PY - 2021 DO - https://doi.org/10.1016/j.conbuildmat.2021.122542 SN - 0950-0618 VL - 281 SP - 1 EP - 11 PB - Elsevier CY - Amsterdam AN - OPUS4-56893 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schneider, Rudolf A1 - Fernandez, L. A1 - Borzecka, W. A1 - Lin, Z. A1 - Huvaere, K. A1 - Esteves, V. I. A1 - Cunha, A. A1 - Tome, J. P. C. T1 - Nanomagnet-photosensitizer hybrid materials for the degradation of 17 beta-estradiol in batch and flow modes N2 - The preparation of porphyrins and phthalocyanines covalently attached onto nanostructured magnetic supports consisting of magnetite nanoparticles coated with an amorphous silica shell is reported. The easy recovery of these heterogeneous photocatalysts, just by applying an external magnetic field, allows their reuse in multiple treatment cycles. The photocatalytic activity of the non-immobilized photosensitizers and the obtained hybrid materials was evaluated in the degradation of 17 beta-estradiol, as a model organic pollutant present in water, using batch and flow mode treatment systems, assisted by visible light radiation (4 mW cm(-2)). The flow mode system potentiated the photocatalytic capacity of these novel hybrid materials. In order to improve the process, further studies based on different photocatalyst concentration and pH conditions were performed. Reuse capacity of these materials was investigated upon three photocatalytic cycles. KW - Photodegradation KW - 17 beta-Estradiol KW - Porphyrin PY - 2017 DO - https://doi.org/10.1016/j.dyepig.2017.04.010 SN - 0143-7208 VL - 142 SP - 535 EP - 543 PB - Elsevier Ltd. AN - OPUS4-43308 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Fernández, L. A1 - Lin, Z. A1 - Schneider, Rudolf A1 - Esteves, V. I. A1 - Cunha, Â. A1 - Tomé, J. P. C. T1 - Antimicrobial Photodynamic Activity of Cationic Nanoparticles Decorated with Glycosylated Photosensitizers for Water Disinfection N2 - The antimicrobial photodynamic approach has been demonstrated as an efficient and sustainable process for the eradication of microbial pathogens. In this work, silica-coated Magnetite nanoparticles (NPs) were used as carriers of glycosylated porphyrins and phthalocyanines. Their subsequent cationization resulted in the production of stable antimicrobial photosensitizing materials, effective against E. coli. Suspensions of the photocatalysts in water present bimodal size distributions formed by big clusters and small NPs with hydrodynamic diameters between 8 and 38 nm. The presence of small NPs in the suspensions is related to an effective photodynamic inactivation (PDI) of E. coli cells. Glycosylation of the PS showed a positive effect on the PDI performance, which could be related to a higher accumulation of the photocatalyst over the bacterial cell membrane. In addition, these biocidal agents proved to be photostable and their photoactive performance decreased only between 23% and 28% upon 5 PDI cycles, mostly because of the loss of material between cycles, which makes them promising materials for water disinfection purposes. KW - Photodynamische Inaktivierung KW - E. coli KW - Photokatalyse KW - Bakterien KW - Nanopartikel KW - Photosensibilisator KW - Porphyrin KW - Phthalocyanin PY - 2018 DO - https://doi.org/10.1002/cptc.201700169 SN - 2367-0932 VL - 2 IS - 7 SP - 596 EP - 605 PB - Wiley VHC CY - Weinheim AN - OPUS4-45684 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -