da Silva Vitor H, Murphy Fionn, Amigo José M, Stedmon Colin, Strand Jakob
Department of Bioscience, Aarhus University, Frederiksborgvej 399, 4000 Roskilde, Denmark.
IKERBASQUE, Basque Foundation for Science, 48011 Bilbao, Spain.
Anal Chem. 2020 Oct 20;92(20):13724-13733. doi: 10.1021/acs.analchem.0c01324. Epub 2020 Sep 30.
Microplastics are defined as microscopic plastic particles in the range from few micrometers and up to 5 mm. These small particles are classified as primary microplastics when they are manufactured in this size range, whereas secondary microplastics arise from the fragmentation of larger objects. Microplastics are widespread emerging pollutants, and investigations are underway to determine potential harmfulness to biota and human health. However, progress is hindered by the lack of suitable analytical methods for rapid, routine, and unbiased measurements. This work aims to develop an automated analytical method for the characterization of small microplastics (<100 μm) using micro-Fourier transform infrared (μ-FTIR) hyperspectral imaging and machine learning tools. Partial least squares discriminant analysis (PLS-DA) and soft independent modeling of class analogy (SIMCA) models were evaluated, applying different data preprocessing strategies for classification of nine of the most common polymers produced worldwide. The hyperspectral images were also analyzed to quantify particle abundance and size automatically. PLS-DA presented a better analytical performance in comparison with SIMCA models with higher sensitivity, sensibility, and lower misclassification error. PLS-DA was less sensitive to edge effects on spectra and poorly focused regions of particles. The approach was tested on a seabed sediment sample (Roskilde Fjord, Denmark) to demonstrate the method efficiency. The proposed method offers an efficient automated approach for microplastic polymer characterization, abundance numeration, and size distribution with substantial benefits for method standardization.
微塑料被定义为尺寸范围从几微米到5毫米的微观塑料颗粒。当这些小颗粒在这个尺寸范围内制造时,它们被归类为原生微塑料,而次生微塑料则来自较大物体的破碎。微塑料是广泛存在的新兴污染物,目前正在进行调查以确定其对生物群和人类健康的潜在危害。然而,由于缺乏适用于快速、常规和无偏测量的合适分析方法,进展受到阻碍。这项工作旨在开发一种自动化分析方法,利用微傅里叶变换红外(μ-FTIR)高光谱成像和机器学习工具对小尺寸微塑料(<100μm)进行表征。评估了偏最小二乘判别分析(PLS-DA)和类软独立建模(SIMCA)模型,应用不同的数据预处理策略对全球生产的九种最常见聚合物进行分类。还对高光谱图像进行了分析,以自动量化颗粒丰度和尺寸。与SIMCA模型相比,PLS-DA具有更好的分析性能,具有更高的灵敏度、敏感度和更低的误分类误差。PLS-DA对光谱的边缘效应和颗粒聚焦不佳的区域不太敏感。该方法在海底沉积物样本(丹麦罗斯基勒峡湾)上进行了测试,以证明该方法的有效性。所提出的方法为微塑料聚合物表征、丰度数和尺寸分布提供了一种高效的自动化方法,对方法标准化具有显著益处。