Linking Research Data with Physically Preserved Research Materials in Chemistry
Abstract 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...
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2025-01-01
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| Series: | Scientific Data |
| Online Access: | https://doi.org/10.1038/s41597-025-04404-2 |
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| author | Chia-Lin Lin Pei-Chi Huang Simone Gräßle Christoph Grathwol Pierre Tremouilhac Sylvia Vanderheiden Patrick Hodapp Sonja Herres-Pawlis Alexander Hoffmann Fabian Fink Georg Manolikakes Till Opatz Andreas Link M. Manuel B. Marques Lena J. Daumann Manuel Tsotsalas Frank Biedermann Hatice Mutlu Eric Täuscher Felix Bach Tim Drees Steffen Neumann Shashank S. Harivyasi Nicole Jung Stefan Bräse |
| author_facet | Chia-Lin Lin Pei-Chi Huang Simone Gräßle Christoph Grathwol Pierre Tremouilhac Sylvia Vanderheiden Patrick Hodapp Sonja Herres-Pawlis Alexander Hoffmann Fabian Fink Georg Manolikakes Till Opatz Andreas Link M. Manuel B. Marques Lena J. Daumann Manuel Tsotsalas Frank Biedermann Hatice Mutlu Eric Täuscher Felix Bach Tim Drees Steffen Neumann Shashank S. Harivyasi Nicole Jung Stefan Bräse |
| author_sort | Chia-Lin Lin |
| collection | DOAJ |
| description | Abstract 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. |
| format | Article |
| id | doaj-art-9aafc6d428e3453a82f5f2b086d016dc |
| institution | Kabale University |
| issn | 2052-4463 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Data |
| spelling | doaj-art-9aafc6d428e3453a82f5f2b086d016dc2025-01-26T12:14:51ZengNature PortfolioScientific Data2052-44632025-01-0112111210.1038/s41597-025-04404-2Linking Research Data with Physically Preserved Research Materials in ChemistryChia-Lin Lin0Pei-Chi Huang1Simone Gräßle2Christoph Grathwol3Pierre Tremouilhac4Sylvia Vanderheiden5Patrick Hodapp6Sonja Herres-Pawlis7Alexander Hoffmann8Fabian Fink9Georg Manolikakes10Till Opatz11Andreas Link12M. Manuel B. Marques13Lena J. Daumann14Manuel Tsotsalas15Frank Biedermann16Hatice Mutlu17Eric Täuscher18Felix Bach19Tim Drees20Steffen Neumann21Shashank S. Harivyasi22Nicole Jung23Stefan Bräse24Institute of Biological and Chemical Systems - Functional Molecular Systems (IBCS-FMS), Karlsruhe Institute of TechnologyInstitute of Biological and Chemical Systems - Functional Molecular Systems (IBCS-FMS), Karlsruhe Institute of TechnologyInstitute of Biological and Chemical Systems - Functional Molecular Systems (IBCS-FMS), Karlsruhe Institute of TechnologyInstitute of Biological and Chemical Systems - Functional Molecular Systems (IBCS-FMS), Karlsruhe Institute of TechnologyInstitute of Biological and Chemical Systems - Functional Molecular Systems (IBCS-FMS), Karlsruhe Institute of TechnologyInstitute of Biological and Chemical Systems - Functional Molecular Systems (IBCS-FMS), Karlsruhe Institute of TechnologyInstitute for Biological Interfaces 3 - Soft Matter Laboratory (IBG 3 - SML), Karlsruhe Institute of TechnologyRWTH Aachen University, Institute of Inorganic ChemistryRWTH Aachen University, Institute of Inorganic ChemistryRWTH Aachen University, Institute of Inorganic ChemistryRPTU Kaiserslautern-Landau, Department ChemieJGU Mainz, Department ChemieUniversität Greifswald, Institut für PharmazieLAQV-REQUIMTE, Department of Chemistry, NOVA School of Science and Technology, Universidade Nova de LisboaChair of Bioinorganic Chemistry, Heinrich-Heine-Universität DüsseldorfInstitute of Functional Interfaces (IFG), Karlsruhe Institute of TechnologyInstitute of Nanotechnology (INT), Karlsruhe Institute of TechnologyInstitut de Science des Matériaux de MulhouseUMR 7361 CNRS/Université de Haute Alsace15 rue Jean StarckyTechnische Universität Ilmenau, Institut für Chemie und BiotechnikFIZ Karlsruhe – Leibniz-Institut für Informationsinfrastruktur GmbHLegal Affairs, Karlsruhe Institute of TechnologyLeibniz Institute of Plant Biochemistry, Computational Plant Biochemistry groupInstitute of Biological and Chemical Systems - Functional Molecular Systems (IBCS-FMS), Karlsruhe Institute of TechnologyInstitute of Biological and Chemical Systems - Functional Molecular Systems (IBCS-FMS), Karlsruhe Institute of TechnologyInstitute of Biological and Chemical Systems - Functional Molecular Systems (IBCS-FMS), Karlsruhe Institute of TechnologyAbstract 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.https://doi.org/10.1038/s41597-025-04404-2 |
| spellingShingle | Chia-Lin Lin Pei-Chi Huang Simone Gräßle Christoph Grathwol Pierre Tremouilhac Sylvia Vanderheiden Patrick Hodapp Sonja Herres-Pawlis Alexander Hoffmann Fabian Fink Georg Manolikakes Till Opatz Andreas Link M. Manuel B. Marques Lena J. Daumann Manuel Tsotsalas Frank Biedermann Hatice Mutlu Eric Täuscher Felix Bach Tim Drees Steffen Neumann Shashank S. Harivyasi Nicole Jung Stefan Bräse Linking Research Data with Physically Preserved Research Materials in Chemistry Scientific Data |
| title | Linking Research Data with Physically Preserved Research Materials in Chemistry |
| title_full | Linking Research Data with Physically Preserved Research Materials in Chemistry |
| title_fullStr | Linking Research Data with Physically Preserved Research Materials in Chemistry |
| title_full_unstemmed | Linking Research Data with Physically Preserved Research Materials in Chemistry |
| title_short | Linking Research Data with Physically Preserved Research Materials in Chemistry |
| title_sort | linking research data with physically preserved research materials in chemistry |
| url | https://doi.org/10.1038/s41597-025-04404-2 |
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