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Results of a Three-Year Survey on the Implementation of Research Data Management and the Electronic Laboratory Notebook (ELN) Chemotion in an Advanced Inorganic Lab Course
Results of a Three-Year Survey on the Implementation of Research Data Management and the Electronic Laboratory Notebook (ELN) Chemotion in an Advanced Inorganic Lab Course
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As ongoing digitalization accelerates the execution of experiments and the documentation and storage of the corresponding data substantially, appropriate research data management (RDM) is a necessity to enable sustainable research at all. Consequently, a rethinking is currently taking place in academia. This process becomes visible by the utilization of electronic laboratory notebooks (ELNs) for documentation, the publication of research data in repositories, or the publishers’ requirement for authors to provide a data availability statement. Despite the growing awareness of RDM in academia, the integration of the topic into curricula of chemistry studies is, if at all, in its infancy. As an initial example of incorporating RDM into curricula, an ELN was implemented in an advanced inorganic lab course for upper-division undergraduate students three years ago supported by learning materials on RDM in general. A survey among the students helped, firstly, tracking the implementation of the ELN and the integration of RDM and, secondly, improving teaching materials and concepts. The three-year follow-up shows a growing awareness of RDM and higher acceptance towards ELNs among the students. The survey results highlight the needs for and the progress in teaching RDM in an early stage of chemistry studies already. Moreover, the possibility to integrate the topic here as a hands-on experience is a facile method for its fast integration into teaching without changing complete curricula.
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URL: https://doi.org/10.26434/chemrxiv-2023-09ljgCommunities:
    No communities
Disciplines:Target Groups:
  • Content Provider
  • Data Steward
  • Teacher (higher Education)
Proficiency Levels:
  • Advanced Beginner

Chemotion ELN Erklärvideos
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Chemotion ELN ErklärvideosChemotion ELN Erklärvideos Chemotion[1] ist ein Open-Source-System für die Speicherung und Verwaltung von Experimenten und Moleküldaten in der Chemie und deren angrenzenden Wissenschaften. Dabei besteht das System hauptsächlich aus zwei Komponenten: dem elektronischen Laborjournal (electronic laboratory notebook, ELN) Chemotion ELN[2] zur Eintragung und Auswertung von Experimenten und deren Analytik-Daten und dem Chemotion-Repositorium[3,4] zur Veröffentlichung dieser. Durch die Verknüpfung des ELNs mit dem Repositorium können Einträge einfach aus dem Laborbuch transferiert werden. Daten werden inklusive ihrer maschinenlesbaren Metadaten in dem Repositorium unter Open-Access-Bedingungen veröffentlicht und erfüllen somit die FAIR-Data-Prinzipien (findable, accessible, interoperable, reusable).[5] Diese dienen als Grundlage für nachhaltiges Datenmanagement im Rahmen der guten wissenschaftlichen Praxis.[6] Zur Nutzung von Chemotion und zur Erläuterung der grundlegenden Funktionen haben wir Erklärvideos erstellt, die Neulingen den Einstieg in das ELN erleichtern sollen. Diese Videos umfassen wichtige Themen von der Erstellung von Molekülen, über die Auswertung von Analytik-Daten, bis hin zum Teilen von Einträgen. Die Videos sind dabei in verschiedene Themenblöcke aufgeteilt und befassen sich jeweils mit konkreten Funktionen. Die Struktur der Themenblöcke und Videos können dem PDF-Dokument in diesem Zenodo-Eintrag entnommen werden. Wir bitten zu beachten, dass grau hinterlegte Videos in diesem Dokument erst in späteren Versionen des Eintrags zur Verfügung stehen werden. Chemotion ELN Erklärvideos auf YouTube Die Erklärvideos gibt es zusätzlich auch auf Chemotions YouTube Channel: https://www.youtube.com/playlist?list=PL1AonKd9WAd8n8YPXxMaGLQ5ad8PdR3OC Danksagung Die Autoren danken Nicole Jung für weiterführende Erklärungen zu den Funktionen von Chemotion und die Hilfe bei der Erstellung und Überarbeitung der Videos. Weiterhin danken die Autoren Anna Manukânc für die Hilfe bei der konzeptionellen Entwicklung der Videos. Literatur [1] Chemotion. https://chemotion.net/ (accessed 02/19/2023). [2] Tremouilhac, P., Nguyen, A., Huang, Y.-C., Kotov, S., Lütjohann, D. S., Hübsch, F., Jung, N., Bräse, S., J. Cheminform. 2017, 9, 54. [3] Tremouilhac, P., Lin, C.-L., Huang, P.-C., Huang, Y.-C., Nguyen, A., Jung, N., Bach, F., Ulrich, R., Neumair, B., Streit, A., Bräse, S., Angew. Chem. Int. Ed. 2020, 59, 22771-22778; Angew. Chem. 2020, 132, 22960-22968. [4] Tremouilhac, P., Huang, P.-C., Lin, C.-L., Huang, Y.-C., Nguyen, A., Jung, N., Bach, F., Bräse, S., Chemistry–Methods 2021, 1, 8-11. [5] Wilkinson, M. D., Dumontier, M., Aalbersberg, I. J., Appleton, G., Axton, M., Baak, A., Blomberg, N., Boiten, J.-W., da Silva Santos, L. B., Bourne, P. E., Bouwman, J., Brookes, A. J., Clark, T., Crosas, M., Dillo, I., Dumon, O., Edmunds, S., Evelo, C. T., Finkers, R., Gonzalez-Beltran, A., Gray, A. J. G., Groth, P., Goble, C., Grethe, J. S., Heringa, J., ’t Hoen, P. A. C., Hooft, R., Kuhn, T., Kok, R., Kok, J., Lusher, S. J., Martone, M. E., Mons, A., Packer, A. L., Persson, B., Rocca-Serra, P., Roos, M., van Schaik, R., Sansone, S.-A., Schultes, E., Sengstag, T., Slater, T., Strawn, G., Swertz, M. A., Thompson, M., van der Lei, J., van Mulligen, E., Velterop, J., Waagmeester, A., Wittenburg, P., Wolstencroft, K., Zhao, J., Mons, B., Sci. Data 2016, 3, 160018. [6] Deutsche Forschungsgemeinschaft. Guidelines for Safeguarding Good Research Practice. Code of Conduct. 2019, https://doi.org/10.5281/zenodo.3923602 [Titel anhand dieser DOI in Citavi-Projekt übernehmen] . Nützliche Links Chemotion. https://chemotion.net/ (accessed 02/19/2023). Chemotion ELN Documentation. https://chemotion.net/docs/eln/ (accessed 02/19/2023). Chemotion Repository. https://www.chemotion-repository.net/welcome (accessed 03/14/2022). Molecule Archive of the Compound Platform. https://compound-platform.eu/home (accessed 03/14/2022).
Learning Resource Type
Tutorial
File Format
MP4
Languages
German
Media Type
Video
Publication Date
2023-02-15
License
CCBY
Size
677.1 MB
Authors
Keywords
#Research Data Management#NFDI#Forschungsdatenmanagement#NFDI4Chem#ELN#Electronic Laboratory Notebook#Chemotion#Chemotion ELN#Chemotion Repository#Digitalization#Instruction Videos#Teaching
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Presentation at Analytica conference 2022: Chemotion ELN and Chemotion Repository as tools for the digitalization in chemical research within the framework of NFDI4Chem
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Presentation at Analytica conference 2022: Chemotion ELN and Chemotion Repository as tools for the digitalization in chemical research within the framework of NFDI4ChemPresentation given at the Analytica conference 2022 in Munich taking place from June 21st to June 23rd. The presentation entitled "Chemotion ELN and Chemotion Repository as tools for the digitalization in chemical research within the framework of NFDI4Chem" was part of the session "Research Data Management III" organized by the German Chemical Society (GDCh).
File Format
PDF
Languages
English
Media Type
Presentation
Publication Date
2022-06-28
License
CCBY
Size
5.5 MB
Authors
Keywords
#Research Data Management#NFDI#NFDI4Chem#ELN#Electronic Laboratory Notebook#Chemotion#Chemotion ELN#Chemotion Repository#Digitalization#FAIR data#Standards#Analytica 2022#Analytica conference 2022#Chemistry#Teaching RDM
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Datenmanagement in der Chemie - Grundlagen
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Datenmanagement in der Chemie - GrundlagenNo description.
Learning Resource Type
Lecture
File Format
Unknown
Languages
German
Media Type
Video
Publication Date
2023
License
CCBYNC
Authors
Keywords
#Research Data Management#Forschungsdatenmanagement#Anorganische Chemie#Data Lifecycle
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Chemotion ELN Instruction Videos
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Chemotion ELN Instruction VideosChemotion ELN Instruction Videos Chemotion[1] is an open source system for storing and managing experiments and molecular data in chemistry and its related sciences. The system mainly consists of two components: the electronic laboratory notebook (ELN) Chemotion ELN[2] for recording and evaluating experiments and their analytical data, and the Chemotion repository[3,4] for publishing these data. As the ELN is linked to the repository, entries can be easily transferred from the lab journal to the repository. Data, including their machine-readable metadata, are published in the repository under open access conditions and thus fulfill the FAIR data principles (findable, accessible, interoperable, reusable).[5] These principles serve as a foundation for sustainable data management within the framework of good scientific practice.[6] For the use of Chemotion and to explain its basic functions, we created explanatory videos to help newcomers getting started with the ELN. These videos cover important topics from creating molecules, to evaluating analytic data, to sharing entries. The videos are divided into different topic blocks and deal in each case with specific functions. The structure of the topic blocks and videos is provided in the PDF document in this Zenodo entry. Please note that entries with a gray background in this document will only be available in later versions of the Zenodo entry. Chemotion ELN Instruction Videos on YouTube Find the instruction videos additionally on Chemotion's YouTube channel: https://www.youtube.com/playlist?list=PL1AonKd9WAd8cDjzXGiNu0ndoctNu0izs Acknowledgement First and foremost, the authors would like to thank Nicole Parks for recording the English audio tracks. The authors are grateful to Nicole Jung for further explanations of Chemotion's features and help in creating and revising the videos. Furthermore, the authors would like to thank Anna Manukânc for her help with the conceptual development of the videos. Literature [1] Chemotion. https://chemotion.net/ (accessed 02/19/2023). [2] Tremouilhac, P., Nguyen, A., Huang, Y.-C., Kotov, S., Lütjohann, D. S., Hübsch, F., Jung, N., Bräse, S., J. Cheminform. 2017, 9, 54. [3] Tremouilhac, P., Lin, C.-L., Huang, P.-C., Huang, Y.-C., Nguyen, A., Jung, N., Bach, F., Ulrich, R., Neumair, B., Streit, A., Bräse, S., Angew. Chem. Int. Ed. 2020, 59, 22771-22778; Angew. Chem. 2020, 132, 22960-22968. [4] Tremouilhac, P., Huang, P.-C., Lin, C.-L., Huang, Y.-C., Nguyen, A., Jung, N., Bach, F., Bräse, S., Chemistry–Methods 2021, 1, 8-11. [5] Wilkinson, M. D., Dumontier, M., Aalbersberg, I. J., Appleton, G., Axton, M., Baak, A., Blomberg, N., Boiten, J.-W., da Silva Santos, L. B., Bourne, P. E., Bouwman, J., Brookes, A. J., Clark, T., Crosas, M., Dillo, I., Dumon, O., Edmunds, S., Evelo, C. T., Finkers, R., Gonzalez-Beltran, A., Gray, A. J. G., Groth, P., Goble, C., Grethe, J. S., Heringa, J., ’t Hoen, P. A. C., Hooft, R., Kuhn, T., Kok, R., Kok, J., Lusher, S. J., Martone, M. E., Mons, A., Packer, A. L., Persson, B., Rocca-Serra, P., Roos, M., van Schaik, R., Sansone, S.-A., Schultes, E., Sengstag, T., Slater, T., Strawn, G., Swertz, M. A., Thompson, M., van der Lei, J., van Mulligen, E., Velterop, J., Waagmeester, A., Wittenburg, P., Wolstencroft, K., Zhao, J., Mons, B., Sci. Data 2016, 3, 160018. [6] Deutsche Forschungsgemeinschaft. Guidelines for Safeguarding Good Research Practice. Code of Conduct. 2019, https://doi.org/10.5281/zenodo.3923602 [Titel anhand dieser DOI in Citavi-Projekt übernehmen] . Useful Links Chemotion. https://chemotion.net/ (accessed 02/19/2023). Chemotion ELN Documentation. https://chemotion.net/docs/eln/ (accessed 02/19/2023). Chemotion Repository. https://www.chemotion-repository.net/welcome (accessed 02/13/2023). Molecule Archive of the Compound Platform. https://compound-platform.eu/home (accessed 02/13/2023).
Learning Resource Type
Tutorial
File Format
MP4
Languages
English
Media Type
Video
Publication Date
2023-02-13
License
CCBY
Size
703.2 MB
Authors
Keywords
#Research Data Management#NFDI#NFDI4Chem#Electronic Laboratory Notebook#Chemotion ELN#Chemotion Repository#Digitalization#Instruction Videos#Teaching#RDM#ELN; Chemotion
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Sharing is Caring: Guidelines for Sharing in the Electronic Laboratory Notebook (ELN) Chemotion as applied by a Synthesis-oriented Working Group
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Sharing is Caring: Guidelines for Sharing in the Electronic Laboratory Notebook (ELN) Chemotion as applied by a Synthesis-oriented Working GroupGuidelines for Sharing in the Electronic Laboratory Notebook (ELN) Chemotion as applied by a Synthesis-oriented Working Group
Learning Resource Type
Article
File Format
PDF, HTML
Languages
English
Media Type
Text
Publication Date
2022-05-18
License
CCBY
Authors
Keywords
No keywords
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NFDI4Chem: from chemical research data management to digital chemistry
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NFDI4Chem: from chemical research data management to digital chemistryThis presentation was held at the GDCh-Wissenschaftsforum (WiFo) "Rethinking Chemistry" 2023 in Leipzig.
File Format
PDF
Languages
English
Media Type
Presentation
Publication Date
2023-09-13
License
CCBY
Size
3.2 MB
Authors
Keywords
No keywords
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