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MPX_specDB: A FAIR spectroscopic data collection for enhanced detection of weathered and biofouled polymers

Zenodo (CERN European Organization for Nuclear Research) 2024
Robin Lenz, Robin Lenz, Franziska Fischer, Melinda Arnold, Verónica Fernández‐González, Carmen María Moscoso-Pérez, J.M. Andrade, Soledad Muniategui-Lorenzo, Soledad Muniategui-Lorenzo, Falk Pollehne, Fischer, Dieter

Summary

Researchers developed MPX_specDB, a FAIR-compliant spectroscopic database for weathered microplastics, designed to improve the identification accuracy of environmentally realistic, aged plastic particles. The database addresses a key limitation in current spectral libraries that rely predominantly on pristine polymer reference spectra.

Applying the FAIR data principles — Findable, Accessible, Interoperable, and Reusable [1] — brings long-term benefits to research, allowing scientists to understand and utilise their data well into the future. In environmental microplastic (MP) studies, the prevalent use of pristine polymer spectroscopic libraries often leads to underestimation or misclassification due to the changes in MP particles caused by environmental weathering and biofouling. To address this, we conducted a coordinated marine mesocosm experiment across several European coastal sites. Nine polymers were exposed to natural conditions for periods ranging from seven days to six months across seasons. The resulting spectroscopic data, obtained through FTIR and Raman spectroscopy, reflect a variety from little to strong spectral changes due to polymer degradation and biofouling. Published as a FAIR-compliant data set MPX_specDB contains raw spectroscopic data and related metadata structured as a document-based database system [2]. It ensures ease of access and usability for both humans and machines. An interactive web application accompanies the dataset, allowing users to view, filter, plot, and download the data, facilitating its integration into existing MP reference libraries [3]. The open data format makes it easy to incorporate the spectra into MP reference libraries to enhance MP detection capabilities for spectroscopic environmental studies. References [1] M. D. Wilkinson et al., Scientific data, 2016, 160018, DOI: 10.1038/sdata.2016.18. [2] R. Lenz, F. Fischer, M. Arnold, V. Fernández-González, C. M. Moscoso-Pérez, J. M. Andrade-Garda, S. Muniategui-Lorenzo, D. Fischer, Database of Raman and ATR-FTIR spectra of weathered and biofouled polymers, 2023, DOI: 10.5281/zenodo.8314801. [3] https://robna.github.io/MPX_specDB/ Also see: https://micro2024.sciencesconf.org/559741/document

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