Application of chemometric techniques in studies of toxicity of selected commercially available products for infants and children


The goal of the present study is to assess the impact of the experimental conditions for extraction procedures (time of extraction, thermal treatment and type of extraction media) as applied to several baby and infant products checked for their possible ecotoxicological response when tested by various ecotoxicity tests (Microtox®, Ostracodtoxkit F™ and Xenoscreen YES/YAS™). The systems under consideration are multidimensional by nature and, therefore, the appropriate assessment approach was intelligent data analysis (chemometrics). Hierarchical cluster analysis (HCA) and principal component analysis (PCA) were selected as reliable data mining methods for the interpretation of the ecotoxicity data. We show that the different experimental conditions have a significant impact on the ecotoxicity levels observed, especially those measured by Microtox® and Ostracodtoxkit F™ tests. The time of contact proves to be a very significant factor for all extraction media and ecotoxicity test procedures. The present study is a pioneering effort to offer a specific expert approach for analysing links between the type of test measurement methodology and imposed experimental conditions to mimic real-life circumstances in the use of baby and infant products.

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This work has been co-financed by the Science National Centre, Poland grant no. 2015/17/N/ST4/03835.

The support of H2020 programme of the European Union (project Materials Networking) is gratefully acknowledged by two of the authors (M. Nedyalkova and V. Simeonov).

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Correspondence to Błażej Kudłak.

Additional information


• Artificial sweat and saliva were used to prepare samples for toxicological studies.

• Microtox® toxicity is reversely correlated with endocrine potential values.

• The antagonistic endocrine potential of products for infants was confirmed.

• Multivariate statistical techniques were used to analyse such elaborate dynamic systems.

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Szczepańska, N., Kudłak, B., Nedyalkova, M. et al. Application of chemometric techniques in studies of toxicity of selected commercially available products for infants and children. Environ Monit Assess 189, 309 (2017).

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  • Multivariate statistics
  • Endocrine potential
  • Toxicity
  • Artificial human fluids
  • Extraction
  • Products for infants