Jaworska, J.S.; Schultz, T.W. Quantitative Relationships of Structure-Activity and Volume Fraction For Selected Nonpolar and Polar Narcotic Chemicals. SAR QSAR Environ. Res. 1993, 1, 1, 3–19.

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Jaworska, J.S.; Schultz, T.W. Quantitative Relationships of Structure-Activity and Volume Fraction For Selected Nonpolar and Polar Narcotic Chemicals. SAR QSAR Environ. Res. 1993, 1, 1, 3–19.

QDB archive DOI: 10.15152/QDB.70   DOWNLOAD

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Property pIGC50: 48-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

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  • Ruusmann, V. Data for: Quantitative Relationships of Structure-Activity and Volume Fraction For Selected Nonpolar and Polar Narcotic Chemicals. QsarDB repository, QDB.70. 2012. http://dx.doi.org/10.15152/QDB.70

  • Jaworska, J. S.; Schultz, T. W. Quantitative Relationships of Structure-Activity and Volume Fraction For Selected Nonpolar and Polar Narcotic Chemicals. SAR QSAR Environ. Res. 1993, 1, 3–19. http://dx.doi.org/10.1080/10629369308028812

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dc.date.accessioned2012-05-23T16:05:17Z
dc.date.available2012-05-23T16:05:17Z
dc.date.issued2012-05-23
dc.identifier.urihttp://hdl.handle.net/10967/70
dc.identifier.urihttp://dx.doi.org/10.15152/QDB.70
dc.description.abstractThe relative toxicity of selected industrial organic chemicals was secured from the literature for the static 48-h Tetrahymena pyriformis 50% population growth impairment and the flow-through 96-h Pimephales promelas 50% mortality endpoints. Chemicals were selected to represent the nonpolar narcosis (aliphatic alcohols and aliphatic ketones) and polar narcosis (anilines and phenols) mechanisms of toxic action. molar volume (MV) and 1-octanol/water partition coefficient (log Kow) data were generated for each chemical. High-quality, log Kow dependent quantitative structure-activity relationships were observed for each chemical class and mechanism of action for both endpoints. The volume fraction (Vf) for each chemical in the target phase was determined from the toxicant concentration in the water (toxicity data), the MV, and the target/water partition coefficient (Ktw) with Ktw considered equal to Kow (1-a). Analyses of target sites, by way of "a" revealed that "a" was constant for a mechanism of action regardless of chemical class, but distinct for a given test system. Mean Vt was constant for each mechanism of action regardless of chemical class or test system. These results suggest, at least for reversible physical mechanisms, that volume fraction analyses are significant in determining the mechanism of toxic action of a chemical.
dc.publisherVillu Ruusmann
dc.rightsAttribution 4.0 International
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.titleJaworska, J.S.; Schultz, T.W. Quantitative Relationships of Structure-Activity and Volume Fraction For Selected Nonpolar and Polar Narcotic Chemicals. SAR QSAR Environ. Res. 1993, 1, 1, 3–19.
qdb.property.endpoint6. Other (Acute toxicity to ciliate protozoa)
qdb.property.speciesTetrahymena pyriformis
qdb.descriptor.applicationMedChem 3.51
bibtex.entryarticle
bibtex.entry.authorJaworska, J. S.
bibtex.entry.authorSchultz, T. W.
bibtex.entry.doi10.1080/10629369308028812
bibtex.entry.journalSAR QSAR Environ. Res.
bibtex.entry.number1
bibtex.entry.pages3–19
bibtex.entry.titleQuantitative Relationships of Structure-Activity and Volume Fraction For Selected Nonpolar and Polar Narcotic Chemicals
bibtex.entry.volume1
bibtex.entry.year1993


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