Linking Research Data with Physically Preserved Research Materials in Chemistry
Results of scientific work in chemistry can usually be obtained in the form of materials and data. A big step towards transparency and reproducibility of the scientific work can be gained if scientists publish their data in research data repositories in a FAIR manner. Nevertheless, in order to make chemistry a sustainable discipline, obtaining FAIR data is insufficient and a comprehensive concept that includes preservation of materials is needed. In order to offer a comprehensive infrastructure to find and access data and materials that were generated in chemistry projects, we combined the infrastructure Chemotion repository with an archive for chemical compounds. Samples play a key role in this concept: we describe how FAIR metadata of a virtual sample representation can be used to refer to a physically available sample in a materials' archive and to link it with the FAIR research data gained using the said sample. We further describe the measures to make the physically available samples not only FAIR through their metadata but also findable, accessible and reusable.
Authors
- Sylvia Vanderheiden (ORCID: https://orcid.org/0000-0003-4485-8159)
- Fabian Fink (ORCID: https://orcid.org/0000-0002-1863-2087)
- Alexander Hoffmann (ORCID: https://orcid.org/0000-0002-9647-8839)
- Sonja Herres‐Pawlis (ORCID: https://orcid.org/0000-0002-4354-4353)
- Felix Bach (ORCID: https://orcid.org/0000-0002-5035-7978)
- Hatice Mutlu (ORCID: https://orcid.org/0000-0002-4683-0515)
- Christoph W. Grathwol (ORCID: https://orcid.org/0000-0003-0232-3279)
- Patrick Hodapp (ORCID: https://orcid.org/0000-0001-7617-5059)
- Manuel Tsotsalas (ORCID: https://orcid.org/0000-0002-9557-2903)
- Steffen Neumann (ORCID: https://orcid.org/0000-0002-7899-7192)
- Lena J. Daumann (ORCID: https://orcid.org/0000-0003-2197-136X)
- Simone Gräßle (ORCID: https://orcid.org/0000-0001-9302-7146)
- Pierre Tremouilhac (ORCID: https://orcid.org/0000-0002-0487-3947)
- Georg Manolikakes (ORCID: https://orcid.org/0000-0002-4013-5757)
- Andreas Link (ORCID: https://orcid.org/0000-0003-1262-6636)
- Chia‐Lin Lin (ORCID: https://orcid.org/0000-0002-9772-0455)
- M. Manuel B. Marques
- Pei‐Chi Huang (ORCID: https://orcid.org/0000-0002-9976-4507)
- Frank Biedermann (ORCID: https://orcid.org/0000-0002-1077-6529)
- Nicole Jung (ORCID: https://orcid.org/0000-0001-9513-2468)
- Till Opatz (ORCID: https://orcid.org/0000-0002-3266-4050)
- Tim Drees
- Shashank Harivyasi
- Stefan Bräse (ORCID: https://orcid.org/0000-0003-4845-3191)
- Eric Täuscher
Institutions
- Karlsruhe Institute of Technology (DE)
- Technische Universität Ilmenau (DE)
- Centre National de la Recherche Scientifique (FR)
- FIZ Karlsruhe – Leibniz Institute for Information Infrastructure (DE)
- Johannes Gutenberg University Mainz (DE)
- Université de Haute-Alsace (FR)
- Universität Greifswald (DE)
- Institut de Sciences des Matériaux de Mulhouse (FR)
- Leibniz Institute of Plant Biochemistry (DE)
- Rede de Química e Tecnologia (PT)
- Heinrich Heine University Düsseldorf (DE)
- Universidade Nova de Lisboa (PT)
- RWTH Aachen University (DE)
Publication Details
- Journal
- Scientific Data
- Published
- 2025-01-22
- DOI
- https://doi.org/10.1038/s41597-025-04404-2
- Primary Topic
- Research Data Management Practices
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Deutsche Forschungsgemeinschaft