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

  • Natalia Szczepańska
  • Błażej KudłakEmail author
  • Miroslava Nedyalkova
  • Vasil Simeonov
  • Jacek Namieśnik


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.


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



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).

Supplementary material

10661_2017_6007_MOESM1_ESM.pdf (563 kb)
ESM 1 (PDF 562 kb)


  1. Chang, S. C., Wang, Y. F., You, S. J., Kuo, Y. M., Tsai, C. H., Wang, L. C., & Hsu, P. Y. (2012). Toxicity evaluation of fly ash by Microtox®. Areosol Air Quality Research, 13, 1002–1008.Google Scholar
  2. Czech, B., Jośko, I., & Oleszczuk, P. (2014). Ecotoxicological evaluation of selected pharmaceuticals to Vibrio fischeri and Daphnia magna before and after photooxidation process. Ecotoxicology and Environmental Safety, 104, 247–253.CrossRefGoogle Scholar
  3. Deljanin, I., Antanasijević, D., Bjelajac, A., Urošević, M. A., Nikolić, M., Perić-Grujić, A., & Ristić, M. (2016). Chemometrics in biomonitoring: distribution and correlation of trace elements in tree leaves. Science of the Total Environment, 545–546, 361–371.CrossRefGoogle Scholar
  4. DIN 53160-1:2010-10 (2010). Determination of the colourfastness of articles for common use - Part 1: Test with artificial saliva. Accessed 23 May 2017.
  5. DIN 53160-2:2010-10 (2010). Determination of the colourfastness of articles for common use - Part 1: Test with artificial sweat. Accessed 23 May 2017.
  6. Dubiella-Jackowska, A., Astel, A., Polkowska, Ż., Staszek, W., Kudłak, B., & Namieśnik, J. (2010). Atmospheric and surface water pollution interpretation in the Gdańsk Beltway impact range by the use of multivariate analysis. Clean – Soil, Air, Water, 38, 865–876.CrossRefGoogle Scholar
  7. Faa, G., Ekstrom, J., Castagnola, M., Gibo, Y., Ottonello, G., & Fanos, V. (2012). A developmental approach to drug-induced liver injury in newborns and children. Current Medicinal Chemistry, 19, 4581–5491.CrossRefGoogle Scholar
  8. Guney, M., & Zagury, G. J. (2014). Children’s exposure to harmful elements in toys and low-cost jewelry: characterizing risks and developing a comprehensive approach. Journal of Hazardous Materials, 271, 321–330.CrossRefGoogle Scholar
  9. Hernández-Fernández, F. J., Bayo, J., Pérez de los Ríos, A., Vicente, M. A., Bernal, F. J., & Quesada-Medina, J. (2015). Discovering less toxic ionic liquids by using the Microtox® toxicity test. Ecotoxicology and Environmental Safety, 116, 29–33.CrossRefGoogle Scholar
  10. Ionas, A. C., Ulevicus, J., Gómez, A. B., Brandsma, S. H., Leonards, P. E. G., van de Bor, M., & Covaci, A. (2016). Children’s exposure to polybrominated diphenyl ethers (PBDEs) through mouthing toys. Environment International, 87, 101–107.CrossRefGoogle Scholar
  11. Korfali, S. J., Sebra, R., Jurdi, M., & Taleb, R. J. (2013). Assessment of toxic metals and phthalates in children’s toys and clays. Archives of Environmental Contamination and Toxicology, 65, 368–381.CrossRefGoogle Scholar
  12. Kudłak, B., Wolska, L., & Namieśnik, J. (2011). Determination of EC50 toxicity data of selected heavy metals toward Heterocypris incongruens. Environmental Monitoring and Assessment, 174, 509–516.CrossRefGoogle Scholar
  13. Kudłak, B., Owczarek, K., & Namieśnik, J. (2015a). A review of selected issues related to the toxicity of ionic liquids and deep eutectic solvents. Environmental Science and Pollution Research, 22, 11975–11992.CrossRefGoogle Scholar
  14. Kudłak, B., Szczepańska, N., Owczarek, K., Mazerska, Z., & Namieśnik, J. (2015b). Revision of biological methods for determination of EDC presence and their endocrine potential. Critical Reviews in Analytical Chemistry, 45, 191–200.CrossRefGoogle Scholar
  15. Li, X., Ying, G. G., Su, H. C., Yang, H. B., & Wang, L. (2010). Simultaneous determination and assessment of 4-nonylphenol, bisphenol A and triclosan in tap water, bottled water and baby bottlers. Environment International, 36, 557–562.CrossRefGoogle Scholar
  16. López-Doval, J. C., Meirelles, S. T., Cardoso-Silva, S., Moschini-Carlos, V., & Pompêo, M. (2016). Ecological and toxicological responses in a multistressor scenario: are monitoring programs showing the stressors or just showing stress? A case study in Brazil. Science of the Total Environment, 540, 466–476.CrossRefGoogle Scholar
  17. Massart, D. L., & Kaufmann, L. (1983). The analytical data interpretation by the use of cluster analysis. Amsterdam: Elsevier.Google Scholar
  18. Mercan, S., Ellez, S. Z., Türkmen, Z., Yayla, M., & Cengiz, S. (2015). Quantitative lead determination in coating paint on children’s outwear by LA-ICP-MS: a practical calibration strategy for solid samples. Talanta, 132, 222–227.CrossRefGoogle Scholar
  19. Özer, E. T., & Güçer, S. (2012). Determination of di(2-ethylhexyl) phthalate migration from toys into artificial sweat by gas chromatography mass spectrometry after activated carbon enrichment. Polymer Testing, 31, 474–480.CrossRefGoogle Scholar
  20. Peré-Trepat, E., Olivella, L., Ginebreda, A., Caixach, J., & Tauler, R. (2006). Chemometrics modelling of organic contaminants in fish and sediment river samples. Science of the Total Environment, 371, 223–237.CrossRefGoogle Scholar
  21. Platikanov, S., Martín, J., & Tauler, R. (2012). Linear and non-linear chemometric modeling of THM formation in Barcelona’s water treatment plant. Science of the Total Environment, 432, 365–374.CrossRefGoogle Scholar
  22. Rossetto, A. L., Melegari, S. P., Ouriques, L. C., & Matias, W. G. (2014). Comparative evaluation of acute and chronic toxicities of CuO nanoparticles and bulk using Daphnia magna and Vibrio fischeri. Science of the Total Environment, 490, 807–814.CrossRefGoogle Scholar
  23. Szczepańska, N., Namieśnik, J., & Kudłak, B. (2016). Assessment of toxic and endocrine potential of substances migrating from selected toys and baby products. Environmental Science and Pollution Research, 23, 24890–24900.CrossRefGoogle Scholar
  24. Thomas, K. V., Langford, K., Petersen, K., Smith, A. J., & Tollefsen, K. E. (2009). Effect-directed identification of naphthenic acids as important in vitro xeno-estrogens and anti-androgens in North Sea offshore produced water discharges. Environmental Science and Technology, 43, 8066–8071.CrossRefGoogle Scholar
  25. Vanderginste, B., Massart, D. L., Buydens, L., De Jong, S., Lewi, P., & Smeyers-Verbeke, J. (1998). Handbook of chemometrics and qualimetrics. Amsterdam: Elsevier.Google Scholar
  26. Ventura, S. P. M., Marques, C. S., Rosatella, A. A., Afonso, C. A. M., Gonc-alves, F., & Coutinho, J. A. P. (2012). Toxicity assessment of various ionic liquid families towards Vibrio fischeri marine bacteria. Ecotoxicology and Environmental Safety, 76, 162–168.CrossRefGoogle Scholar
  27. Wieczerzak, M., Kudłak, B., & Namieśnik, J. (2016). Bioassays as one of the green chemistry tools for assessing environmental quality: a review. Environment International, 94, 341–361.CrossRefGoogle Scholar

Copyright information

© Springer International Publishing Switzerland 2017

Authors and Affiliations

  1. 1.Department of Analytical Chemistry, Faculty of ChemistryGdańsk University of TechnologyGdańskPoland
  2. 2.Faculty of Chemistry and PharmacyUniversity of Sofia “St. Kl. Okhridski”SofiaBulgaria

Personalised recommendations