Water quality criteria assessment for chlorinated benzenes using the quantitative structure activity relation approach and porphyrogenic endpoint in rats

Norman M. Trieff, V-M Ramanujam

Research output: Contribution to journalArticle

Abstract

Sub-chronic toxicity data on rats for various chlorobenzenes have been utilized to show a high correlation between log dose porphyria and log P, the log of the octanohwater partition coefficient. Various predictive equations were calculated as a function of log P, (log P)2, log P + (log P)2, log 1/Swand (log 1/S w )2. All have good correlations except for the case of (log 1/Sw)2. The calculated log criterion values obtained from predicted dose for porphyria in rats were regressed against log P and the log of the bioconcentration factor (log B) and various single and multi-parameter regression equations were found. Criteria predicted from log P values and sub-chronic toxicity data tended to be between 10–100 times larger than criteria calculated by other means (chronic toxicity, carcinogenicity or organoleptic). This quantitative structure activity relation approach has the advantage of providing criteria for all congeners in a series, whether or not they have been tested for carcinogenicity.

Original languageEnglish (US)
Pages (from-to)215-230
Number of pages16
JournalInternational Journal of Environmental Health Research
Volume1
Issue number4
DOIs
StatePublished - Dec 1 1991

Fingerprint

Porphyrias
Water Quality
Benzene
Water quality
Toxicity
Rats
Chlorobenzenes

Keywords

  • Chlorinated benzenes
  • porphyrogenicity
  • quantitative structure activity relations (QSAR)
  • water quality criteria

ASJC Scopus subject areas

  • Health, Toxicology and Mutagenesis
  • Pollution
  • Public Health, Environmental and Occupational Health

Cite this

@article{6b838c385f034a5d9cd013760c98d19f,
title = "Water quality criteria assessment for chlorinated benzenes using the quantitative structure activity relation approach and porphyrogenic endpoint in rats",
abstract = "Sub-chronic toxicity data on rats for various chlorobenzenes have been utilized to show a high correlation between log dose porphyria and log P, the log of the octanohwater partition coefficient. Various predictive equations were calculated as a function of log P, (log P)2, log P + (log P)2, log 1/Swand (log 1/S w )2. All have good correlations except for the case of (log 1/Sw)2. The calculated log criterion values obtained from predicted dose for porphyria in rats were regressed against log P and the log of the bioconcentration factor (log B) and various single and multi-parameter regression equations were found. Criteria predicted from log P values and sub-chronic toxicity data tended to be between 10–100 times larger than criteria calculated by other means (chronic toxicity, carcinogenicity or organoleptic). This quantitative structure activity relation approach has the advantage of providing criteria for all congeners in a series, whether or not they have been tested for carcinogenicity.",
keywords = "Chlorinated benzenes, porphyrogenicity, quantitative structure activity relations (QSAR), water quality criteria",
author = "Trieff, {Norman M.} and V-M Ramanujam",
year = "1991",
month = "12",
day = "1",
doi = "10.1080/09603129109356722",
language = "English (US)",
volume = "1",
pages = "215--230",
journal = "International Journal of Environmental Health Research",
issn = "0960-3123",
publisher = "Taylor and Francis Ltd.",
number = "4",

}

TY - JOUR

T1 - Water quality criteria assessment for chlorinated benzenes using the quantitative structure activity relation approach and porphyrogenic endpoint in rats

AU - Trieff, Norman M.

AU - Ramanujam, V-M

PY - 1991/12/1

Y1 - 1991/12/1

N2 - Sub-chronic toxicity data on rats for various chlorobenzenes have been utilized to show a high correlation between log dose porphyria and log P, the log of the octanohwater partition coefficient. Various predictive equations were calculated as a function of log P, (log P)2, log P + (log P)2, log 1/Swand (log 1/S w )2. All have good correlations except for the case of (log 1/Sw)2. The calculated log criterion values obtained from predicted dose for porphyria in rats were regressed against log P and the log of the bioconcentration factor (log B) and various single and multi-parameter regression equations were found. Criteria predicted from log P values and sub-chronic toxicity data tended to be between 10–100 times larger than criteria calculated by other means (chronic toxicity, carcinogenicity or organoleptic). This quantitative structure activity relation approach has the advantage of providing criteria for all congeners in a series, whether or not they have been tested for carcinogenicity.

AB - Sub-chronic toxicity data on rats for various chlorobenzenes have been utilized to show a high correlation between log dose porphyria and log P, the log of the octanohwater partition coefficient. Various predictive equations were calculated as a function of log P, (log P)2, log P + (log P)2, log 1/Swand (log 1/S w )2. All have good correlations except for the case of (log 1/Sw)2. The calculated log criterion values obtained from predicted dose for porphyria in rats were regressed against log P and the log of the bioconcentration factor (log B) and various single and multi-parameter regression equations were found. Criteria predicted from log P values and sub-chronic toxicity data tended to be between 10–100 times larger than criteria calculated by other means (chronic toxicity, carcinogenicity or organoleptic). This quantitative structure activity relation approach has the advantage of providing criteria for all congeners in a series, whether or not they have been tested for carcinogenicity.

KW - Chlorinated benzenes

KW - porphyrogenicity

KW - quantitative structure activity relations (QSAR)

KW - water quality criteria

UR - http://www.scopus.com/inward/record.url?scp=84952388293&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84952388293&partnerID=8YFLogxK

U2 - 10.1080/09603129109356722

DO - 10.1080/09603129109356722

M3 - Article

VL - 1

SP - 215

EP - 230

JO - International Journal of Environmental Health Research

JF - International Journal of Environmental Health Research

SN - 0960-3123

IS - 4

ER -