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Reference database design for the automated analysis of microplastic samples based on Fourier transform infrared (FTIR) spectroscopy
Open accessAbstract
The identification of microplastics becomes increasingly challenging with decreasing particle size and increasing sample heterogeneity. The analysis of microplastic samples by Fourier transform infrared (FTIR) spectroscopy is a versatile, bias-free tool to succeed at this task. In this study, we provide an adaptable reference database, which can be applied to single-particle identification as well as methods like chemical imaging based on FTIR microscopy. The large datasets generated by chemical imaging can be further investigated by automated analysis, which does, however, require a carefully designed database. The novel database design is based on the hierarchical cluster analysis of reference spectra in the spectral range from 3600 to 1250 cm−1. The hereby generated database entries were optimized for the automated analysis software with defined reference datasets. The design was further tested for its customizability with additional entries. The final reference database was extensively tested on reference datasets and environmental samples. Data quality by means of correct particle identification and depiction significantly increased compared to that of previous databases, proving the applicability of the concept and highlighting the importance of this work. Our novel database provides a reference point for data comparison with future and previous microplastic studies that are based on different databases.
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“Spectra were then processed using the OMNIC software and compared with a commercial spectral library (Hummel Polymer Spectral Library, Thermo Fisher Scienti fi c Inc.) and the BASEMAN library developed by Primpke et al. (2018).”
Ledieu, L., Phương, N. N., Flahaut, B., Radigois, P., Papin, J., Guern, C. L., Béchet, B., & Gaspéri, J. (2023) · Microplastics · doi:10.3390/microplastics2010007 · Cited by 43
Microplastics in the Water Column of the Rhine River Near Basel: 22 Months of Sampling
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Paint: a ubiquitous yet disregarded piece of the microplastics puzzle
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Liu, W., Chen, X., Liang, T., Mu, T., Ding, Y., Liu, Y., & Liu, X. (2023) · The Science of The Total Environment · doi:10.1016/j.scitotenv.2023.161417 · Cited by 40
Kitazaki, T., Morimoto, Y., Yamashita, S., Anabuki, D., Tahara, S., Nishiyama, A., Wada, K., & Ishimaru, I. (2022) · Scientific Reports · doi:10.1038/s41598-022-25161-x · Cited by 38
Ziajahromi, S., Slynkova, N., Dwyer, J., Griffith, M., Fernandes, M. B., Jaeger, J. E., & Leusch, F. D. L. (2023) · Water Research · doi:10.1016/j.watres.2023.121071 · Cited by 37
Lozoya, J. P., Rodríguez, M., Azcune, G., Lacerot, G., Parada, A. P., Lenzi, J., Rossi, F., & de Mello, F. T. (2022) · The Science of The Total Environment · doi:10.1016/j.scitotenv.2022.155830 · Cited by 40
Microplastics in Namibian river sediments – a first evaluation
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“Their measured spectra had limited quality, were not unique [61], and were therefore conservatively not evaluated as polymers.”
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Seasonal Abundance and Distribution Patterns of Microplastics in the Lis River, Portugal
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A monitoring and data analysis method for microplastics in marine sediments
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“This free tool (simple-plastics.eu) was recently developed by Primpke et al. (2018).”
How effective is the retention of microplastics in horizontal flow sand filters treating stormwater?
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“(a) Yellow line: CS (plant-derived m croparticles); red line: fiber poplar down [38], r = 0.”
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The distribution and ecological effects of microplastics in an estuarine ecosystem
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Microplastic analysis in soils: A comparative assessment
Peneva, S., Le, Q. N. P., Munhoz, D. R., Wrigley, O., Wille, F., Doose, H., Halsall, C. J., Harkes, P., Sander, M., Braun, M., et al. (2024) · Ecotoxicology and Environmental Safety · doi:10.1016/j.ecoenv.2024.117428 · Cited by 32
Open Specy 1.0: Automated (Hyper)spectroscopy for Microplastics
Cowger, W., Karapetrova, A., Lincoln, C. L., Chamas, A., Sherrod, H., Leong, N., Lasdin, K. S., Knauss, C. M., Teofilović, V., Arienzo, M. M., et al. (2025) · Analytical Chemistry · doi:10.1021/acs.analchem.5c00962 · Cited by 35
Self-citation
Metadata
- Authors
- Primpke, S., Wirth, M., Lorenz, C., & Gerdts, G.
- Affiliations
- Alfred-Wegener-Institut Helmholtz-Zentrum für Polar- und Meeresforschung (DE)
- Corresponding author
- Primpke, Sebastian
- Venue
- Analytical and Bioanalytical Chemistry
- Published
- 2018-07-06
- Volume
- 410
- Issue
- 21
- Pages
- 5131-5141
- ISSN
- 1618-2642 (ISSN-L)
- 1618-2650
- PMC
- PMC6113679
- OpenAlex
- W2856517393
- Cited by
- 584
- References
- 27
- Citations by year
- 2026: 89 · 2025: 75 · 2024: 90 · 2023: 92 · 2022: 82 · 2021: 75 · 2020: 50 · 2019: 25 · 2018: 4
- FWCI
- 14.52
- Type
- journal article
- Language
- en
- Open access
- hybrid
- doi.org
- Licence
- Locations
- Analytical and Bioanalytical Chemistry (publishedVersion, cc-by)
- Europe PMC (PubMed Central) (publishedVersion, other-oa)
- PubMed Central (publishedVersion, cc-by)
- PubMed (publishedVersion)
- Helmholtz-Zentrum für Polar-und Meeresforschung (Alfred-Wegener-Institut) (submittedVersion)
- VBN Forskningsportal (Aalborg Universitet) (submittedVersion, other-oa)
- Funders
- Bundesministerium für Bildung und Forschung (03F0734A)
- Topics
- Physical Sciences › Environmental Science › Pollution › Microplastics and Plastic Pollution
- Physical Sciences › Chemistry › Analytical Chemistry › Spectroscopy and Chemometric Analyses
- Social Sciences › Arts and Humanities › Archeology (arts and humanities) › Cultural Heritage Materials Analysis
- Keywords
- microplastics, FTIR spectroscopy, FTIR microscopy, chemical imaging, hierarchical clustering, reference spectra, automated analysis, environmental samples, microplastic detection
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