Cited by 585Microplastics and Plastic PollutionSpectroscopy and Chemometric AnalysesCultural Heritage Materials Analysis

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Reference database design for the automated analysis of microplastic samples based on Fourier transform infrared (FTIR) spectroscopy

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Primpke, Sebastian, Wirth, Marisa, Lorenz, Claudia, Gerdts, Gunnar·2018·Analytical and Bioanalytical Chemistry

DOI 10.1007/s00216-018-1156-xPMC PMC6113679

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Abstract

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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Fig. 1 Dendrogram of manually generated clusters. For lucidity, the spectra were grouped and the number of contained spectra written in brackets behind the cluster name. All merged clusters (see text for details) were connected by green lines; for all later excluded clusters, the lines are marked red (reduction of clusters) and orange (cluster categories)CC BY · PubMed Central

Fig. 2 Image analysis pictures of single particles with different assigned database entriesCC BY · PubMed Central

Fig. 3 Photograph (a), unclosed image (b), and closed image (c) of a piece of cellulose foil. Closed image (d) of the same particle when silica gel is present in the adaptable database designCC BY · PubMed Central

Fig. 4 Polymer-type-dependent false color image of the sample RefEnv1 after automated analysis with the adaptable database designCC BY · PubMed Central

Fig. 5 Polymer-type-dependent false color image of the sample RevEnv2 after automated analysis with the adaptable database designCC BY · PubMed Central

Fig. 6 Size distribution and polymer composition for plastic particles derived via automated analysis for the sample RevEnv2. The region for particles with a size > 50 μm was highlighted for a better overviewCC BY · PubMed Central

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Authors: Primpke, S., Wirth, M., Lorenz, C., & Gerdts, G.
Affiliations: Alfred-Wegener-Institut Helmholtz-Zentrum für Polar- und Meeresforschung (DE)
Corresponding author: Primpke, Sebastian
ORCID: Primpke, Sebastian
Lorenz, Claudia
Gerdts, Gunnar
Venue: Analytical and Bioanalytical Chemistry
Publisher: Springer Science and Business Media LLC
Published: 2018-07-06
Volume: 410
Issue: 21
Pages: 5131-5141
ISSN: 1618-2642 (ISSN-L)
1618-2650
DOI: 10.1007/s00216-018-1156-x
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: cc-by
creativecommons.org/licenses/by/4.0 (tdm)
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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Reference database design for the automated analysis of microplastic samples based on Fourier transform infrared (FTIR) spectroscopy

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