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- ItemNFDI4Chem - A Research Data Network for International Chemistry(Berlin : De Gruyter, 2023) Steinbeck, Christoph; Koepler, Oliver; Herres-Pawlis, Sonja; Bach, Felix; Jung, Nicole; Razum, Matthias; Liermann, Johannes C.; Neumann, SteffenResearch data provide evidence for the validation of scientific hypotheses in most areas of science. Open access to them is the basis for true peer review of scientific results and publications. Hence, research data are at the heart of the scientific method as a whole. The value of openly sharing research data has by now been recognized by scientists, funders and politicians. Today, new research results are increasingly obtained by drawing on existing data. Many organisations such as the Research Data Alliance (RDA), the goFAIR initiative, and not least IUPAC are supporting and promoting the collection and curation of research data. One of the remaining challenges is to find matching data sets, to understand them and to reuse them for your own purpose. As a consequence, we urgently need better research data management.
- ItemHow Structured Metadata Acquisition Contributes to the Reproducibility of Nanosafety Studies: Evaluation by a Round-Robin Test(Basel : MDPI, 2022) Elberskirch, Linda; Sofranko, Adriana; Liebing, Julia; Riefler, Norbert; Binder, Kunigunde; Bonatto Minella, Christian; Razum, Matthias; Mädler, Lutz; Unfried, Klaus; Schins, Roel P.F.; Kraegeloh, Annette; van Thriel, ChristophIt has been widely recognized that nanosafety studies are limited in reproducibility, caused by missing or inadequate information and data gaps. Reliable and comprehensive studies should be performed supported by standards or guidelines, which need to be harmonized and usable for the multidisciplinary field of nanosafety research. The previously described minimal information table (MIT), based on existing standards or guidelines, represents one approach towards harmonization. Here, we demonstrate the applicability and advantages of the MIT by a round-robin test. Its modular structure enables describing individual studies comprehensively by a combination of various relevant aspects. Three laboratories conducted a WST-1 cell viability assay using A549 cells to analyze the effects of the reference nanomaterials NM101 and NM110 according to predefined (S)OPs. The MIT contains relevant and defined descriptive information and quality criteria and thus supported the implementation of the round-robin test from planning, investigation to analysis and data interpretation. As a result, we could identify sources of variability and justify deviating results attributed to differences in specific procedures. Consequently, the use of the MIT contributes to the acquisition of reliable and comprehensive datasets and therefore improves the significance and reusability of nanosafety studies
- ItemNFDI4Chem - Deliverable D3.3.1: Gap analysis report for selected repositories(Genève : CERN, 2023) Bach, Felix; Binder, Kunigunde; Christian Bonatto, Minella; Lutz, Benjamin; Razum, MatthiasThe deliverable 3.3.1 “Gap analysis report for selected repositories” aims both to identify gaps in the coverage regarding data types or disciplines and to close them through adjustments or, if necessary, new developments. In order to accomplish that, the TA3-team performed a gap analysis of the existing relevant repositories by means of individual interviews with the repository leaders. The interview consisted of a series of questions ranging from general information up to metadata standards and ontology, data contents, technical information about Authorisation and Authentication Infrastructure (AAI), API, services and functionality, operating environment as well as software architecture and workflows. The interviews will serve to establish the current degree of maturity as well as the operational fitness of the selected repositories and to derive suitable recommendations aiming to fulfil the yet missing requirements.
- ItemThesenpapier Nationale Forschungsdateninfrastruktur für die Chemie (NFDI4Chem)(Zenodo, 2018) Koepler, Oliver; Jung, Nicole; Kraft, Angelina; Neumann, Janna; Auer, Sören; Bach, Felix; Bähr, Thomas; Engel, Thomas; Kettner, Carsten; Kowol-Santen, Johanna; Liermann, Johannes; Lipp, Anne; Porzel, Andrea; Razum, Matthias; Schlörer, Niels; Solle, Dörte; Winkler, Torsten“Der stufenweise Aufbau einer Nationalen Forschungsdateninfrastruktur in Netzwerkform hat das Ziel, ein verlässliches und nachhaltiges Dienste-Portfolio zu schaffen, welches generische und fachspezifische Bedarfe des Forschungsdatenmanagements in Deutschland abdeckt.” Für das Fachgebiet Chemie ermöglicht eine solche nationale Forschungsdateninfrastruktur, öffentlich-finanzierte Forschungsdaten effizient zu erheben, standardisiert zu beschreiben, dauerhaft zu speichern und durch Persistent Identifier (PID) eindeutig referenzierbar und auffindbar zu machen. Sie unterstützt gemäß den Vorgaben des RfII die Reproduzierbarkeit und Nachnutzbarkeit der Daten zum Zwecke einer perpetuierten Wissensgenerierung. Mit der Reproduzierbarkeit von Forschungsergebnissen unterstützt eine solche Forschungsdateninfrastruktur den Peer Reviewing Prozess zur Förderung der wissenschaftlichen Selbstkontrolle und erhöht die Datenqualität, insbesondere in wissenschaftlichen Publikationen. Die NFDI4Chem ist ein gemeinschaftlicher Ansatz von Wissenschaftlern aus der Chemie, der Fachgesellschaft Gesellschaft Deutscher Chemiker und deren Fachgruppen, Einrichtungen aus der Forschungsförderung und Infrastruktureinrichtungen (Technische Informationsbibliothek). Eine Gruppe von Vertretern dieser Stakeholder hat sich Ende April 2018 zu einem Auftakttreffen “Fachgespräch NFDI4Chem” in Hannover getroffen. Dieses Papier fasst die Erkenntnisse des Fachgespräches zusammen. Weitere Stakeholder wie Verlage oder Datenbankanbieter sind im folgenden Diskurs willkommen.