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January 01, 2025 article Open access Aachen paper

Enhancing FAIRdata by providing digital workflows from data generation to the publication of data: an open source approach described for cyclic voltammetry

Chemical Science, vol. 16, pp. 4430–4441

DOI: 10.1039/d4sc08620a Full text (OA) OpenAlex

Abstract

Analytical data in chemistry and other disciplines is usually generated in different formats and lacks common data and metadata standards that are necessary for a FAIR handling of research data. In the work presented herein, we describe a workflow that uses non-standardized, in some cases proprietary, data formats from cyclic voltammetry measurements coming from individual devices as an instructive example, to yield open, standardized data that are annotated with rich metadata. The presented workflow includes concepts, software and infrastructure that can be used to support the whole data life cycle from the measurement of data to the publication of data and metadata in repositories. Components used for this workflow were made available as open source, allowing the re-use of this approach in other laboratories. The methods described for cyclic voltammetry can be adapted and used for other measurements and experimental data collections, allowing for an easy way to integrate new methods for digitalized research and FAIR data management.

Authors 20

  1. David Herrmann

    Karlsruhe Institute of Technology

    Affiliation as printed

    Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany

    Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany,

  2. Patrick Hodapp

    Karlsruhe Institute of Technology

    Affiliation as printed

    Institute for Biological Interfaces 3 – Soft Matter Laboratory (IBG 3 – SML), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany

    Institute for Biological Interfaces

  3. Martin Starman

    Karlsruhe Institute of Technology

    Affiliation as printed

    Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany

    Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany,

  4. Pei‐Chi Huang

    Karlsruhe Institute of Technology

    Affiliation as printed

    Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany

    Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany,

  5. Chia‐Lin Lin

    Karlsruhe Institute of Technology

    Affiliation as printed

    Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany

    Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany,

  6. Lan B. Q. Le

    Karlsruhe Institute of Technology

    Affiliation as printed

    Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany

    Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany,

  7. Tillmann G. Fischer

    Helmholtz Centre for Environmental Research

    Affiliation as printed

    Department Exposure Science, Helmholtz Centre for Environmental Research (UFZ), Permoserstraße 15, 04318 Leipzig, Germany

    Independent Developer, https://jochenklar.de, Cheruskerstr. 3, 10829 Berlin, Germany;

  8. Claudia Bizzarri

    Karlsruhe Institute of Technology

    Affiliation as printed

    Institute of Organic Chemistry (IOC), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany

    Institute of Organic Chemistry (IOC), Karlsruhe Institute of Technology, Fritz-Haber-Weg 6, 76131 Karlsruhe, Germany,

  9. Philipp Roese

    Karlsruhe Institute of Technology

    Affiliation as printed

    Institute for Applied Materials – Electrochemical Technologies (IAM-ET), Karlsruhe Institute of Technology, Kaiserstraße 12, Adenauerring 20b, 76131 Karlsruhe, Germany

    -Soft Matter Laboratory (IBG 3 -SML), Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany,

    Applied Materials -Electrochemical Technologies (IAM-ET), Karlsruhe Institute of Technology, Adenauerring 20b, 76131 Karlsruhe, Germany,

    https://ror.org/04xfq0f34;

    ror.org/01mzk5576;

    ror.org/03s7gtk40;

  10. Niklas Oppel

    Karlsruhe Institute of Technology

    Affiliation as printed

    Institute for Applied Materials – Electrochemical Technologies (IAM-ET), Karlsruhe Institute of Technology, Kaiserstraße 12, Adenauerring 20b, 76131 Karlsruhe, Germany

    -Soft Matter Laboratory (IBG 3 -SML), Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany,

    Applied Materials -Electrochemical Technologies (IAM-ET), Karlsruhe Institute of Technology, Adenauerring 20b, 76131 Karlsruhe, Germany,

    https://ror.org/04xfq0f34;

    ror.org/01mzk5576;

    ror.org/03s7gtk40;

  11. Jochen Klar

    Leibniz Institute of Plant Biochemistry

    Affiliation as printed

    Independent Developer, Cheruskerstr. 3, 10829 Berlin, Germany

    Computational Plant Biochemistry, Leibniz Institute of Plant Biochemistry (IPB), Halle, Germany,

  12. Pierre Tremouilhac

    Karlsruhe Institute of Technology

    Affiliation as printed

    Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany

    Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany,

  13. Laura Holzhauer

    Karlsruhe Institute of Technology

    Affiliation as printed

    Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany

    Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany,

  14. Sonja Herres‐Pawlis Aachen Institute of Inorganic Chemistry

    RWTH Aachen University

    Affiliation as printed

    RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany

    RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany,

  15. Alexander Hoffmann Aachen Institute of Inorganic Chemistry

    RWTH Aachen University

    Affiliation as printed

    RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany

    RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany,

  16. Tobias Seitz Aachen Institute of Inorganic Chemistry

    RWTH Aachen University

    Affiliation as printed

    RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany

    RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany,

  17. Alrik Dorn

    Leipzig University

    Affiliation as printed

    Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany

    Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany,

  18. Kirsten Zeitler

    Leipzig University

    Affiliation as printed

    Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany

    Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany,

  19. Nicole Jung corresponding

    Karlsruhe Institute of Technology

    Affiliation as printed

    Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany

    Karlsruhe Nano Micro Facility (KNMFi), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany

    Karlsruhe Institute of Technology

  20. Stefan Bräse corresponding

    Karlsruhe Institute of Technology

    Affiliation as printed

    Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany

    Institute of Organic Chemistry (IOC), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany

    Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany,

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References 25