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Analyzing large μ-FTIR data sets in search of microplastics

  • Working towards a comprehensive understanding of introduction pathways, number, and fate of micro¬plastics in the environment, suitable analytical methods are a precondition. Micro-spectroscopic methods are probably the most widely used techniques. Besides their ability to measure single spectra of a particle or fiber, most modern FTIR- and Raman microscopes are also capable of two-dimensional imaging. This is very appealing to microplastics research because it allows to simultaneously characterize the analytes chemically as well as their size (distribution) and shape. Two-dimensional imaging on extensive sample areas with FTIR-micros¬copes is facilitated by focal plane array (FPA) detectors resulting in large data sets comprised of up to several million spectra. With numbers too large for manual inspection of each individual spectrum, automated data evaluation is inevitable. Identifying different polymers based on the comparison with known reference spectra (library search) hasWorking towards a comprehensive understanding of introduction pathways, number, and fate of micro¬plastics in the environment, suitable analytical methods are a precondition. Micro-spectroscopic methods are probably the most widely used techniques. Besides their ability to measure single spectra of a particle or fiber, most modern FTIR- and Raman microscopes are also capable of two-dimensional imaging. This is very appealing to microplastics research because it allows to simultaneously characterize the analytes chemically as well as their size (distribution) and shape. Two-dimensional imaging on extensive sample areas with FTIR-micros¬copes is facilitated by focal plane array (FPA) detectors resulting in large data sets comprised of up to several million spectra. With numbers too large for manual inspection of each individual spectrum, automated data evaluation is inevitable. Identifying different polymers based on the comparison with known reference spectra (library search) has proven to be a suitable approach. For that purpose, FTIR-spectra of common plastics can be collected to create an individual reference library. To Supplement this ‘targeted analysis’, looking for known substances via library search, an exploratory approach was tested. Principal component analysis (PCA) proved to be a helpful tool to drastically reduce the size of the data set while maintaining the significant information. Subsequently, cluster analysis was used to find groups of similar spectra. Spectra found in different clusters could be assigned to different polymer types. The variation observed within clusters gives a hint on chemical variability of microplastics of the same polymer found in the sample. Spectra labeled according to the respective cluster/polymer type were used to build a classification model which allowed to quickly predict the polymer type based on the FTIR spectrum. Classification was tested on a second, independent data set and results were compared to the spectral library search procedure.zeige mehrzeige weniger

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Metadaten
Autoren/innen:Lukas Wander
Koautoren/innen:A. Vianello, Ulrike Braun, J. Vollertsen, Andrea Paul
Dokumenttyp:Posterpräsentation
Veröffentlichungsform:Präsentation
Sprache:Englisch
Jahr der Erstveröffentlichung:2019
Organisationseinheit der BAM:1 Analytische Chemie; Referenzmaterialien
1 Analytische Chemie; Referenzmaterialien / 1.4 Prozessanalytik
6 Materialschutz und Oberflächentechnik
6 Materialschutz und Oberflächentechnik / 6.6 Nano-Tribologie und Nanostrukturierung von Oberflächen
DDC-Klassifikation:Naturwissenschaften und Mathematik / Chemie / Analytische Chemie
Technik, Medizin, angewandte Wissenschaften / Ingenieurwissenschaften / Sanitär- und Kommunaltechnik; Umwelttechnik
Freie Schlagwörter:FTIR; Microplastics; Principal component analysis (PCA)
Themenfelder/Aktivitätsfelder der BAM:Umwelt
Umwelt / Umweltverhalten von Materialien und Produkten
Analytical Sciences
Analytical Sciences / Zerstörungsfreie Prüfung und Spektroskopie
Veranstaltung:ANAKON 2019
Veranstaltungsort:Münster, Germany
Beginndatum der Veranstaltung:25.03.2019
Enddatum der Veranstaltung:28.03.2019
Verfügbarkeit des Volltexts:Volltext-PDF im Netzwerk der BAM verfügbar ("Closed Access")
Datum der Freischaltung:29.03.2019
Referierte Publikation:Nein