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Gajewicz, A.; Schaeublin, N.; Rasulev, B.; Hussain, S.; Leszczynska, D.; Puzyn, T.; Leszczynski, J. Towards understanding mechanisms governing cytotoxicity of metal oxides nanoparticles: Hints from nano-QSAR studies. Nanotoxicology 2014, 9, 313–325.

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Gajewicz, A.; Schaeublin, N.; Rasulev, B.; Hussain, S.; Leszczynska, D.; Puzyn, T.; Leszczynski, J. Towards understanding mechanisms governing cytotoxicity of metal oxides nanoparticles: Hints from nano-QSAR studies. Nanotoxicology 2014, 9, 313–325.

QDB archive DOI: 10.15152/QDB.214   DOWNLOAD

QsarDB content

Property pLC50: Toxicity to human keratinocyte (HaCaT) cell line as log(1/LC50) [mol/l]

Compounds: 18 | Models: 1 | Predictions: 3

Eq.4: Model for toxicity

Regression model (regression)

Open in:QDB Explorer QDB Predictor

Name Type n

R2

σ

Training set training 10 0.928 0.126
Validation set external validation 8 0.825 0.141
Prediction set testing 5 N/A N/A

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dc.date.accessioned 2020-01-23T13:07:47Z
dc.date.available 2020-01-23T13:07:47Z
dc.date.issued 2020-01-23
dc.identifier.uri http://hdl.handle.net/10967/214
dc.identifier.uri http://dx.doi.org/10.15152/QDB.214
dc.description.abstract The production of nanomaterials increases every year exponentially and therefore the probability these novel materials that they could cause adverse outcomes for human health and the environment also expands rapidly. We proposed two types of mechanisms of toxic action that are collectively applied in a nano-QSAR model, which provides governance over the toxicity of metal oxide nanoparticles to the human keratinocyte cell line (HaCaT). The combined experimental–theoretical studies allowed the development of an interpretative nano-QSAR model describing the toxicity of 18 nano-metal oxides to the HaCaT cell line, which is a common in vitro model for keratinocyte response during toxic dermal exposure. The comparison of the toxicity of metal oxide nanoparticles to bacteria Escherichia coli (prokaryotic system) and a human keratinocyte cell line (eukaryotic system), resulted in the hypothesis that different modes of toxic action occur between prokaryotic and eukaryotic systems.
dc.publisher Geven Piir
dc.rights Attribution 4.0 International *
dc.rights.uri http://creativecommons.org/licenses/by/4.0/ *
dc.title Gajewicz, A.; Schaeublin, N.; Rasulev, B.; Hussain, S.; Leszczynska, D.; Puzyn, T.; Leszczynski, J. Towards understanding mechanisms governing cytotoxicity of metal oxides nanoparticles: Hints from nano-QSAR studies. Nanotoxicology 2014, 9, 313–325.
qdb.property.endpoint 6. Other en_US
qdb.descriptor.application MOPAC 2009 en_US
bibtex.entry article en_US
bibtex.entry.author Gajewicz, A.
bibtex.entry.author Schaeublin, N.
bibtex.entry.author Rasulev, B.
bibtex.entry.author Hussain, S.
bibtex.entry.author Leszczynska, D.
bibtex.entry.author Puzyn, T.
bibtex.entry.author Leszczynski, J.
bibtex.entry.doi 10.3109/17435390.2014.930195 en_US
bibtex.entry.journal Nanotoxicology en_US
bibtex.entry.month Jul
bibtex.entry.number 3 en_US
bibtex.entry.pages 313–325 en_US
bibtex.entry.title Towards understanding mechanisms governing cytotoxicity of metal oxides nanoparticles: Hints from nano-QSAR studies en_US
bibtex.entry.volume 9 en_US
bibtex.entry.year 2014
qdb.model.type Regression model (regression) en_US


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