TY - JOUR A1 - Anzt, H. A1 - Bach, F. A1 - Druskat, S. A1 - Löffler, F. A1 - Loewe, A. A1 - Renard, B. Y. A1 - Seemann, G. A1 - Struck, A. A1 - Achhammer, E. A1 - Aggarwal, P. A1 - Appel, F. A1 - Bader, M. A1 - Brusch, L. A1 - Busse, C. A1 - Chourdakis, G. A1 - Dabrowski, P. W. A1 - Ebert, P. A1 - Flemisch, B. A1 - Friedl, S. A1 - Fritzsch, B. A1 - Funk, M. D. A1 - Gast, V. A1 - Goth, F. A1 - Grad, J. A1 - Hegewald, J. A1 - Hermann, S. A1 - Hohmann, F. A1 - Janosch, S. A1 - Kutra, D. A1 - Linxweiler, J. A1 - Muth, Thilo A1 - Peters-Kottig, W. A1 - Rack, F. A1 - Raters, F. H. C. A1 - Rave, S. A1 - Reina, G. A1 - Reißig, M. A1 - Ropinski, T. A1 - Schaarschmidt, J. A1 - Seibold, H. A1 - Thiele, J. P. A1 - Uekermann, B. A1 - Unger, S. A1 - Weeber, R. T1 - An environment for sustainable research software in Germany and beyond: current state, open challenges, and call for action N2 - Research software has become a central asset in academic research. It optimizes existing and enables new research methods, implements and embeds research knowledge, and constitutes an essential research product in itself. Research software must be sustainable in order to understand, replicate, reproduce, and build upon existing research or conduct new research effectively. In other words, software must be available, discoverable, usable, and adaptable to new needs, both now and in the future. Research software therefore requires an environment that supports sustainability. Hence, a change is needed in the way research software development and maintenance are currently motivated, incentivized, funded, structurally and infrastructurally supported, and legally treated. Failing to do so will threaten the quality and validity of research. In this paper, we identify challenges for research software sustainability in Germany and beyond, in terms of motivation, selection, research software engineering personnel, funding, infrastructure, and legal aspects. Besides researchers, we specifically address political and academic decision-makers to increase awareness of the importance and needs of sustainable research software practices. In particular, we recommend strategies and measures to create an environment for sustainable research software, with the ultimate goal to ensure that software-driven research is valid, reproducible and sustainable, and that software is recognized as a first class citizen in research. This paper is the outcome of two workshops run in Germany in 2019, at deRSE19 - the first International Conference of Research Software Engineers in Germany - and a dedicated DFG-supported follow-up workshop in Berlin. KW - Research Software KW - Sustainable Software Development KW - Academic Software KW - Software Infrastructure KW - Software Training KW - Software Licensing PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-522029 DO - https://doi.org/10.12688/f1000research.23224.2 VL - 9 SP - 1 EP - 35 AN - OPUS4-52202 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Grunwald, M. A. A1 - Hagenlocher, S. E. A1 - Turkanovic, L. A1 - Bauch, S. M. A1 - Wachsmann, S. B. A1 - Altevogt, L. A. A1 - Ebert, M. A1 - Knöller, J. A. A1 - Raab, A. R. A1 - Schulz, F. A1 - Kolmangadi, Mohamed A. A1 - Zens, A. A1 - Huber, P. A1 - Schönhals, Andreas A1 - Bilitiewski, U. A1 - Laschat, S. T1 - Does thermotropic liquid crystalline self-assembly control biological activity in amphiphilic amino acids? – tyrosine ILCs as a case study N2 - Amphiphilic amino acids represent promising scaffolds for biologically active soft matter. In order to understand the bulk self-assembly of amphiphilic amino acids into thermotropic liquid crystalline phases and their biological properties a series of tyrosine ionic liquid crystals (ILCs) was synthesized, carrying a benzoate unit with 0–3 alkoxy chains at the tyrosine unit and a cationic guanidinium head group. Investigation of the mesomorphic properties by polarizing optical microscopy (POM), differential scanning calorimetry (DSC) and X-ray diffraction (WAXS, SAXS) revealed smectic A bilayers (SmAd) for ILCs with 4-alkoxy- and 3,4-dialkoxybenzoates, whereas ILCs with 3,4,5-trisalkoxybenzoates showed hexagonal columnar mesophases (Colh ), while different counterions had only a minor influence. Dielectric measurements revealed a slightly higher dipole moment of non-mesomorphic tyrosine-benzoates as compared to their mesomorphic counterparts. The absence of lipophilic side chains on the benzoate unit was important for the biological activity. Thus, non-mesomorphic tyrosine benzoates and crown ether benzoates devoid of additional side chains at the benzoate unit displayed the highest cytotoxicities (against L929 mouse fibroblast cell line) and antimicrobial activity (against Escherichia coli DTolC and Staphylococcus aureus) and promising selectivity ratio in favour of antimicrobial activity. KW - Liquid Crystals PY - 2023 DO - https://doi.org/10.1039/d3cp00485f SN - 1463-9076 VL - 25 IS - 26 SP - 17639 EP - 17656 PB - RCS AN - OPUS4-57796 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Voigt, J. A1 - Ebert, B. A1 - Hoffmann, Angelika A1 - Macdonald, R. T1 - Validierung eines "Fluorescent Enzyme Linked Immunosorbent Assay" (ELISA) N2 - Immunologische Verfahren haben während der vergangenen Jahrzehnte eine große Verbreitung in der Medizin gefunden. Grundlage dieser Verfahren ist die spezifische Bindung zwischen Antigen und Antikörper. Eine der wichtigsten Methoden zum sensitiven und quantitativen Nachweis biologisch relevanter Moleküle ist hierbei der Enzyme Linked Immunosorbent Assay (ELISA). Unter dem Aspekt der zahlreichen Einsatzgebiete ist die Frage nach Messunsicherheiten bei der Konzentrationsbestimmung von Biomolekülen mittels ELISA aus metrologischer Sicht von großem Interesse. Eine erhebliche Herausforderung stellt hierbei die Vielzahl von Einflussgrößen dar, die zudem hinsichtlich ihrer Messunsicherheit nur schwer zu quantifizieren sind. In Hinblick auf den Einsatz der Assays im Bereich der Laboratoriumsmedizin besteht die Notwendigkeit, Genauigkeit und Zuverlässigkeit dieser Messverfahren zu validieren. Zu diesem Zwecke wurden im Rahmen einer CCQM-Studie (CCQM- Comité consultatif pour la quantité de matiè re - métrologie en chimie ) internationale Vergleichsmessungen an einem ELISA zur Zytokinbestimmung (humanes Interferon-a) durchgeführt, an denen sich die PTB beteiligt hat. KW - ELISA KW - Interferon-Alpha KW - Metrologie KW - CCQM-Studie PY - 2008 SN - 0030-834X VL - 118 IS - 4 SP - 255 EP - 260 PB - Wirtschaftsverl. NW CY - Bremerhaven AN - OPUS4-22690 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - RPRT A1 - Ebert, H.-P. A1 - Reichenauer, G. A1 - Brandt, R. A1 - Braxmeier, S. A1 - Bauer, T. A1 - Tamme, R. A1 - Langer, W. A1 - Hudler, B. A1 - Christ, M. A1 - Sextl, G. A1 - Müller, G. A1 - Helbig, U. A1 - Houbertz, R. A1 - Voigt, W. A1 - Schmidt, H. A1 - Zehl, T. A1 - Mach, Reinhard A1 - Maneck, Heinz-Eberhard A1 - Meyer-Plath, Asmus A1 - Oleszak, Franz A1 - Keuper, M. A1 - Reisert, M. A1 - Burkhardt, H. A1 - Günther, E. A1 - Mehling, H. T1 - Netzwerk zur Überwindung grundlegender Probleme bei der Entwicklung hocheffizienter Latentwärmespeicher auf Basis anorganischer Speichermaterialien KW - Latentwärmespeicher KW - Materialforschung KW - Plasmaverfahren KW - Graphit PY - 2008 SN - 978-3-00-024699-9 SP - 1 EP - 217 CY - Würzburg AN - OPUS4-18273 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Resch-Genger, Ute A1 - Bremser, Wolfram A1 - Pfeifer, Dietmar A1 - Spieles, Monika A1 - Hoffmann, Angelika A1 - DeRose, P.C. A1 - Zwinkels, J. C. A1 - Gauthier, F. A1 - Ebert, B. A1 - Taubert, R.D. A1 - Voigt, J. A1 - Hollandt, J. A1 - Macdonald, R. T1 - State-of-the art comparability of corrected emission spectra. 2. Field laboratory assessment of calibration performance using spectral fluorescence standards N2 - In the second part of this two-part series on the state-of-the-art comparability of corrected emission spectra, we have extended this assessment to the broader community of fluorescence spectroscopists by involving 12 field laboratories that were randomly selected on the basis of their fluorescence measuring equipment. These laboratories performed a reference material (RM)-based fluorometer calibration with commercially available spectral fluorescence standards following a standard operating procedure that involved routine measurement conditions and the data evaluation software LINKCORR developed and provided by the Federal Institute for Materials Research and Testing (BAM). This instrument-specific emission correction curve was subsequently used for the determination of the corrected emission spectra of three test dyes, X, QS, and Y, revealing an average accuracy of 6.8% for the corrected emission spectra. This compares well with the relative standard uncertainties of 4.2% for physical standard-based spectral corrections demonstrated in the first part of this study (previous paper in this issue) involving an international group of four expert laboratories. The excellent comparability of the measurements of the field laboratories also demonstrates the effectiveness of RM-based correction procedures. KW - Fluorescence KW - Photoluminescence KW - Dye KW - Uncertainty KW - Method comparison KW - Standard KW - Spectral correction KW - Spectral fluorescence standard PY - 2012 DO - https://doi.org/10.1021/ac203451g SN - 0003-2700 SN - 1520-6882 VL - 84 IS - 9 SP - 3899 EP - 3907 PB - American Chemical Society CY - Washington, DC AN - OPUS4-27081 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 - Resch-Genger, Ute A1 - Hoffmann, Katrin A1 - Nietfeld, W. A1 - Engel, A. A1 - Neukammer, J. A1 - Nitschke, R. A1 - Ebert, B. A1 - Macdonald, R. T1 - How to Improve Quality Assurance in Fluorometry: Fluorescence-Inherent Sources of Error and Suited Fluorescence Standards N2 - The scope of this paper is to illustrate the need for an improved quality assurance in fluorometry. For this purpose, instrumental sources of error and their influences on the reliability and comparability of fluorescence data are highlighted for frequently used photoluminescence techniques ranging from conventional macro- and microfluorometry over fluorescence microscopy and flow cytometry to microarray technology as well as in vivo fluorescence imaging. Particularly, the need for and requirements on fluorescence standards for the characterization and performance validation of fluorescence instruments, to enhance the comparability of fluorescence data, and to enable quantitative fluorescence analysis are discussed. Special emphasis is dedicated to spectral fluorescence standards and fluorescence intensity standards. KW - Fluorescence KW - Standard KW - Calibration KW - Microarray KW - In vivo imaging KW - Flow cytometry PY - 2005 DO - https://doi.org/10.1007/s10895-005-2630-3 SN - 1053-0509 SN - 1573-4994 VL - 15 IS - 3 SP - 337 EP - 362 PB - Plenum Publ. Corp. CY - New York, NY AN - OPUS4-10823 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Resch-Genger, Ute A1 - Bremser, Wolfram A1 - Pfeifer, Dietmar A1 - Spieles, Monika A1 - Hoffmann, Angelika A1 - DeRose, P.C. A1 - Zwinkels, J. C. A1 - Gauthier, F. A1 - Ebert, B. A1 - Taubert, D. A1 - Monte, C. A1 - Voigt, J. A1 - Hollandt, J. A1 - Macdonald, R. T1 - State-of-the art comparability of corrected emission spectra. 1. spectral correction with physical transfer standards and spectral fluorescence standards by expert laboratories N2 - The development of fluorescence applications in the life and material sciences has proceeded largely without sufficient concern for the measurement uncertainties related to the characterization of fluorescence instruments. In this first part of a two-part series on the state-of-the-art comparability of corrected emission spectra, four National Metrology Institutes active in high-precision steady-state fluorometry performed a first comparison of fluorescence measurement capabilities by evaluating physical transfer standard (PTS)-based and reference material (RM)-based calibration methods. To identify achievable comparability and sources of error in instrument calibration, the emission spectra of three test dyes in the wavelength region from 300 to 770 nm were corrected and compared using both calibration methods. The results, obtained for typical spectrofluorometric (0°/90° transmitting) and colorimetric (45°/0° front-face) measurement geometries, demonstrated a comparability of corrected emission spectra within a relative standard uncertainty of 4.2% for PTS- and 2.4% for RM-based spectral correction when measurements and calibrations were performed under identical conditions. Moreover, the emission spectra of RMs F001 to F005, certified by BAM, Federal Institute for Materials Research and Testing, were confirmed. These RMs were subsequently used for the assessment of the comparability of RM-based corrected emission spectra of field laboratories using common commercial spectrofluorometers and routine measurement conditions in part 2 of this series (subsequent paper in this issue). KW - Fluorescence KW - Photoluminescence KW - Dye KW - Uncertainty KW - Method comparison KW - Standard KW - Spectral correction KW - Spectral fluorescence standard PY - 2012 DO - https://doi.org/10.1021/ac2034503 SN - 0003-2700 SN - 1520-6882 VL - 84 IS - 9 SP - 3889 EP - 3898 PB - American Chemical Society CY - Washington, DC AN - OPUS4-25838 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pogány, A. A1 - Balslev-Harder, D. A1 - Braban, Ch. F. A1 - Cassidy, N. A1 - Ebert, V. A1 - Ferracci, V. A1 - Hieta, T. A1 - Leuenberger, D. A1 - Martin, N. A. A1 - Pascale, C. A1 - Peltola, J. A1 - Persijn, S. A1 - Tiebe, Carlo A1 - Twigg, M. M. A1 - Vaittinen, Olavi A1 - van Wijk, J. A1 - Wirtz, K. A1 - Niederhauser, B. T1 - A metrological approach to improve accuracy and reliability of ammonia measurements in ambient air N2 - The environmental impacts of ammonia (NH3) in ambient air have become more evident in the recent decades, leading to intensifying research in this field. A number of novel analytical techniques and monitoring instruments have been developed, and the quality and availability of reference gas mixtures used for the calibration of measuring instruments has also increased significantly. However, recent inter-comparison measurements show significant discrepancies, indicating that the majority of the newly developed devices and reference materials require further thorough validation. There is a clear need for more intensive metrological research focusing on quality assurance, intercomparability and validations. MetNH3 (Metrology for ammonia in ambient air) is a three-year project within the framework of the European Metrology Research Programme (EMRP), which aims to bring metrological traceability to ambient ammonia measurements in the 0.5–500 nmol mol−1 amount fraction range. This is addressed by working in three areas: (1) improving accuracy and stability of static and dynamic reference gas mixtures, (2) developing an optical transfer standard and (3) establishing the link between high-accuracy metrological standards and field measurements. In this article we describe the concept, aims and first results of the project. KW - Ammonia in ambient air KW - Traceability KW - Reference gas standards KW - Optical transfer standard KW - Validation and testing infrastructure PY - 2016 DO - https://doi.org/10.1088/0957-0233/27/11/115012 SN - 0957-0233 VL - 27 IS - 11 SP - 115012 EP - 115026 PB - IOP Publishing Ltd. AN - OPUS4-39130 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -