From basic physics to mechanisms of toxicity: the “liquid drop” approach applied to develop predictive classification models for toxicity of metal oxide nanoparticles

Natalia Sizochenko, Bakhtiyor Rasulev, Agnieszka Gajewicz, Victor Kuz'min, Tomasz Puzyn, Jerzy Leszczynski
  • Nanoscale, January 2014, Royal Society of Chemistry
  • DOI: 10.1039/c4nr03487b

What is it about?

In this study, the predictive modeling based on comparative Quantitative-Structure Activity Relationships (nano-QSARs) analyses of a series of nanoparticles on their toxicity towards E.coli and HaCaT cells were established. A new approach for representation of nanoparticles' structure was presented - a liquid drop approach to model a toxicity. It is expected that novel, proposed approach could be of general use for predictions related to nanomaterials.

Why is it important?

A novel Liquid Drop approach is offered to model toxicity of metal oxide nanoparticles.

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The following have contributed to this page: Professor Jerzy Leszczynski, Professor Bakhtiyor Rasulev, and Natalia Sizochenko