Best Practice: Chemotion as Repository

Start to save your research data in an up-to-date way!

The storage of research data according to the FAIR data principles (Findable, Accessible, Interoperable, Reusable) is crucial for upcoming machine learning approaches or big data analysis. Several working groups of NFDI4Chem and beyond, among them the group of Sonja Herres-Pawlis at RWTH Aachen University, Stefan Bräse and Frank Biedermann at Karlsruhe Institute of Technology (KIT), already save research data in the repository Chemotion. For every entry, a DOI is generated which is linked to the corresponding publication in a journal to guarantee findability. Furthermore, the repository Chemotion is linked to other databases (e.g. pubchem) to ensure best visibility and a user friendly search of research data.

Figure 1: Screenshot of a zinc guanidine complex, published in Angew. Chem. Int. Ed.[1] and linked to the Chemotion repository.

As examples the following publications and their data can be accessed:

(1) A. Hermann, S. Hill, A. Metz, J. Heck, A. Hoffmann, L. Hartmann, S. Herres‐Pawlis: “Next Generation of Zinc Bisguanidine Polymerization Catalysts towards Highly Crystalline, Biodegradable Polyesters” Angew. Chem. Int. Ed. 2020, 59, 21778-21784. [DOI: 10.1002/anie.202008473]

(2) M. Paul, M. Teubner, B. Grimm-Lebsanft, C. Golchert, Y.  Meiners, L. Senft, K. Keisers, P. Liebhäuser, T. Rösener, F. Biebl, S. Buchenau, M. Naumova, V. Murzin, R. Krug, A. Hoffmann, J. Pietruszka, I. Ivanović-Burmazović, M. Rübhausen, S. Herres-Pawlis: “Exceptional Substrate Diversity in Oxygenation Reactions Catalyzed by a Bis(μ-oxo) Copper Complex”. Chem Eur. J. 2020, 26, 7556-7562. [DOI: 10.1002/chem.202000664]

(3)  C. Hu, L. Grimm, A. Prabodh, A. Baksi, A. Siennicka, P. A. Levkin, M. M. Kappes, F. Biedermann: “Covalent cucurbit[7]uril–dye conjugates for sensing in aqueous saline media and biofluids”. Chem. Sci., 2020, 11, 11142-11153. [DOI:]

(4) S. Marschner,  R. Haldar,  O. Fuhr,  C. Wöll, S. Bräse: “Modular Synthesis of trans‐A2B2‐Porphyrins with Terminal Esters – Systematically Extending the Scope of Linear Linkers for Porphyrin‐Based MOFs”. Chem. Eur. J. 2020, accepted article, [DOI:]

(5) R. M. Bär, L. Langer, M. Nieger, S. Bräse: “Bicyclo[1.1.1]pentyl Sulfoximines: Synthesis and Functionalisations”. Adv. Synth. Catal. 2020, 362, 1356-1361. [DOI:]