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Linking Research Data with Physically Preserved Research Materials in Chemistry

2025-01-22Artigo científico Acesso aberto
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dc.contributor.authorLin, Chia Lin
dc.contributor.authorHuang, Pei-Chi
dc.contributor.authorGräßle, Simone
dc.contributor.authorGrathwol, Christoph
dc.contributor.authorTremouilhac, Pierre
dc.contributor.authorVanderheiden, Sylvia
dc.contributor.authorHodapp, Patrick
dc.contributor.authorHerres-Pawlis, Sonja
dc.contributor.authorHoffmann, Alexander
dc.contributor.authorFink, Fabian
dc.contributor.authorManolikakes, Georg
dc.contributor.authorOpatz, Till
dc.contributor.authorLink, Andreas
dc.contributor.authorMarques, M. Manuel B.
dc.contributor.authorDaumann, Lena J.
dc.contributor.authorTsotsalas, Manuel
dc.contributor.authorBiedermann, Frank
dc.contributor.authorMutlu, Hatice
dc.contributor.authorTäuscher, Eric
dc.contributor.authorBach, Felix
dc.contributor.authorDrees, Tim
dc.contributor.authorNeumann, Steffen
dc.contributor.authorHarivyasi, Shashank S.
dc.contributor.authorJung, Nicole
dc.contributor.authorBräse, Stefan
dc.contributor.institutionLAQV@REQUIMTE
dc.contributor.institutionDQ - Departamento de Química
dc.contributor.pblNature Research
dc.date.accessioned2025-06-03T21:18:39Z
dc.date.available2025-06-03T21:18:39Z
dc.date.issued2025-01-22
dc.descriptionFunding Information: The results of this project could be gained due to the support of the German Research Foundation (Deutsche Forschungsgemeinschaft, DFG) for the projects Chemotion ELN (project number: 266379491), DFG core facilities Compound Platform (project number: 284178167) and the NFDI4Chem (project number: 441958208). The project group was further supported by the project ELN ElCh of the BMBF cluster ETOS (03ZU1205OA). Publisher Copyright: © The Author(s) 2025.
dc.description.abstractResults 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.en
dc.description.versionpublishersversion
dc.description.versionpublished
dc.format.extent12
dc.format.extent3054377
dc.identifier.doi10.1038/s41597-025-04404-2
dc.identifier.issn2052-4463
dc.identifier.otherPURE: 117430517
dc.identifier.otherPURE UUID: ce4670c1-784a-4790-a921-3569826d7b33
dc.identifier.otherScopus: 85216608271
dc.identifier.otherPubMed: 39843501
dc.identifier.otherWOS: 001402627100005
dc.identifier.otherPubMedCentral: PMC11754846
dc.identifier.otherORCID: /0000-0002-6712-752X/work/185323898
dc.identifier.urihttp://hdl.handle.net/10362/183804
dc.identifier.urlhttps://www.scopus.com/pages/publications/85216608271
dc.identifier.urlhttps://www.webofscience.com/wos/woscc/full-record/WOS:001402627100005
dc.language.isoeng
dc.peerreviewedyes
dc.subjectStatistics and Probability
dc.subjectInformation Systems
dc.subjectEducation
dc.subjectComputer Science Applications
dc.subjectStatistics, Probability and Uncertainty
dc.subjectLibrary and Information Sciences
dc.titleLinking Research Data with Physically Preserved Research Materials in Chemistryen
dc.typejournal article
degois.publication.firstPage1
degois.publication.lastPage12
degois.publication.titleScientific Data
degois.publication.volume12
dspace.entity.typePublication
rcaap.rightsopenAccess

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