Use of QSARs to promote more cost-effective use of chemical monitoring resources. 2. Screening chemicals for hydrolysis half-lives, Henry's Law constants, ultimate biodegradation potential, modes of toxic action and bioavailability

被引:2
作者
Walker, JD [1 ]
Dimitrova, N
Dimitrov, S
Mekenyan, O
Plewak, D
机构
[1] US EPA, Toxic Substances Control Act, Interagcy Testing Committee, Off Pollut Prevent & Toxics, Washington, DC 20460 USA
[2] Univ As Zlatarov, Lab Math Chem, BU-8010 Burgas, Bulgaria
[3] Syracuse Res Corp, Ctr Environm Sci, Syracuse, NY 13212 USA
来源
WATER QUALITY RESEARCH JOURNAL OF CANADA | 2004年 / 39卷 / 01期
关键词
QSARs; monitoring; chemical testing; saving resources;
D O I
10.2166/wqrj.2004.007
中图分类号
TV21 [水资源调查与水利规划];
学科分类号
081501 ;
摘要
To promote more cost-effective use of chemical monitoring resources, quantitative structure activity relationships (QSARs). are proposed as methods to identify chemicals that could be found in, and cause adverse effects to, organisms in water, sedi-: ment and soil from the Great Lakes basin. QSARs were used to evaluate the hydrolysis half-lives, Henry's Law constants, ultimate biodegradation potential in water, modes of toxic action and bioavailability of 47 industrial chemicals and pesticides, 20 direct food additives, 13 indirect food additives, and 7 pharmaceuticals that were previously predicted to partition to sediment and to have bioconcentration or aquatic toxicity potential or potential to not biodegrade readily in sediment (Walker et al. 2004). Using these QSARs Will promote more cost-effective use of chemical monitoring resources by allowing researchers to focus their analytical techniques on measuring chemicals that are not likely to hydrolyze, volatilize or biodegrade rapidly to carbon dioxide, but are likely to have specific modes of toxic action and be bioavailable.
引用
收藏
页码:40 / 49
页数:10
相关论文
共 22 条
[1]   USE OF RESPIRATORY-CARDIOVASCULAR RESPONSES OF RAINBOW-TROUT (SALMO-GAIRDNERI) IN IDENTIFYING ACUTE TOXICITY SYNDROMES IN FISH .3. POLAR NARCOTICS [J].
BRADBURY, SP ;
HENRY, TR ;
NIEMI, GJ ;
CARLSON, RW ;
SNARSKI, VM .
ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY, 1989, 8 (03) :247-261
[2]  
BRADBURY SP, 1990, EURO CH ENV, V1, P295
[3]   USE OF RESPIRATORY CARDIOVASCULAR-RESPONSES OF RAINBOW-TROUT (ONCORHYNCHUS-MYKISS) IN IDENTIFYING ACUTE TOXICITY SYNDROMES IN FISH .4. CENTRAL-NERVOUS-SYSTEM SEIZURE AGENTS [J].
BRADBURY, SP ;
CARLSON, RW ;
NIEMI, GJ ;
HENRY, TR .
ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY, 1991, 10 (01) :115-131
[4]  
Brooke LT, 1984, ACUTE TOXICITIES ORG, V1
[5]   Interspecies modeling of narcotics toxicity to aquatic animals [J].
Dimitrov, SD ;
Mekenyan, OG ;
Schultz, TW .
BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY, 2000, 65 (03) :399-406
[6]   Predicting bioconcentration factors of highly hydrophobic chemicals. Effects of molecular size [J].
Dimitrov, SD ;
Dimitrova, NC ;
Walker, JD ;
Veith, GD ;
Mekenyan, OG .
PURE AND APPLIED CHEMISTRY, 2002, 74 (10) :1823-1830
[7]   Bioconcentration potential predictions based on molecular attributes - an early warning approach for chemicals found in humans, birds, fish and wildlife [J].
Dimitrov, SD ;
Dimitrova, NC ;
Walker, JD ;
Veith, GD ;
Mekenyan, OG .
QSAR & COMBINATORIAL SCIENCE, 2003, 22 (01) :58-68
[8]   Non-linear modeling of bioconcentration using partition coefficients for narcotic chemicals [J].
Dimitrov, SD ;
Mekenyan, OG ;
Walker, JD .
SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 2002, 13 (01) :177-184
[9]  
Geiger D.L., 1988, ACUTE TOXICITIES ORG, V4
[10]  
Geiger D. L., 1990, ACUTE TOXICITIES ORG, VV