Optimal descriptor as a translator of eclectic information into the prediction of membrane damage by means of various TiO2 nanoparticles

Alla P. Toropova, Andrey A. Toropov

Research output: Contribution to journalArticlepeer-review

Abstract

The increasing use of nanomaterials incorporated into consumer products leads to the need for developing approaches to establish "quantitative structure-activity relationships" (QSARs) for various nanomaterials. However, the molecular structure as rule is not available for nanomaterials at least in its classic meaning. An possible alternative of classic QSAR (based on the molecular structure) is the using of data on physicochemical features of TiO2 nanoparticles. The damage to cellular membranes (unitsL-1) by means of various TiO2 nanoparticles is examined as the endpoint.

Original languageEnglish
Pages (from-to)2650-2655
Number of pages6
JournalChemosphere
Volume93
Issue number10
DOIs
Publication statusPublished - Nov 2013

Keywords

  • Membrane damage
  • Monte Carlo method
  • QSAR
  • TiO nanoparticle

ASJC Scopus subject areas

  • Environmental Chemistry
  • Chemistry(all)
  • Medicine(all)

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