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.
Graphical abstractᅟ
Electronic supplementary materialThe online version of this article (10.1007/s00216-018-1156-x) contains supplementary material, which is available to authorized
users.