QSAR Analyses of the Toxicity of Aliphatic Carboxylic Acids and Salts to Tetrahymena Pyriformis

SAR and QSAR in Environmental Research

Volumn 10, Issue 6, 1999, Pages 557-567

  Seward, J R ^a   Schultz, T W ^b  

^a Graduate Program in Ecology and Evolutionary Biology   (United States)

^b UNIVERSITY OF TENNESSEE   (United States)

Author keywords

carboxylic acids; Structure activity; Tetrahymena

Indexed keywords

BIOMINERALIZATION; CARBOXYLIC ACIDS; CHEMICAL SPECIATION; HALOGENATION; HYDROGEN BONDS; IONIZATION; ISOMERS; PHASE DIAGRAMS; REACTION KINETICS; SPECTROSCOPIC ANALYSIS;

ALIPHATIC CARBOXYLIC ACIDS; CARBOXYLIC SALTS; ENERGY; LOWEST UNOCCUPIED MOLECULAR ORBITAL; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; RESPONSE SURFACE; STRUCTURE ACTIVITY; SUB CLASS; TETRAHYMENA; UNSATURATED ACIDS;

MOLECULAR ORBITALS;

CARBOXYLIC ACID; INORGANIC SALT;

ANIMAL; ARTICLE; DOSE RESPONSE; STRUCTURE ACTIVITY RELATION; TETRAHYMENA PYRIFORMIS; TOXICITY TESTING;

ANIMALS; CARBOXYLIC ACIDS; DOSE-RESPONSE RELATIONSHIP, DRUG; SALTS; STRUCTURE-ACTIVITY RELATIONSHIP; TETRAHYMENA PYRIFORMIS; TOXICITY TESTS;

EID: 0033249686     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/10629369908033224     Document Type: Article

References (28)

1. Zhao, Y. H., Yuan, X., Yang, L. H., and Wang, L. S., 1996. Quantitative structure-activity relationships of organic acids and bases. Bull. Environ. Contam. Toxicol., 57: 242–249.
2. Zhao, Y. H., Ji, G. D., Cronin, M. T. D., and Dearden, J. C., 1998. QSAR study of the toxicity of benzoic acids to Vibrio fischeri, Daphnia magna, and carp. Sci. Total Environ., 216: 205–215.
3. Blum, D. J. W., and Speece, R. E., 1991. Quantitative structure-activity relationships for chemical toxicity to environmental bacteria. Ecotoxicol. Environ. Saf., 22: 198–224.
4. Schultz, T. W., 1997. TETRATOX: Tetrahymena pyriformis population growth impairment endpoint-A surrogate for fish lethality. Toxicol. Methods, 7: 289–309.
5. 1989. SAS/STAT User's Guide, fourth edition Vol. 2, 846Cary, North Carolina: SAS Institute Inc. version 6
6. Dean, J. A., 1992. Lange's Handbook of Chemistry, 14th edn. 8.19–8.79. New York: McGraw-Hill Publishing.
7. a”. In QSAR 88 Proceedings 3rd International Workshop on Quantitative Structure-Activity Relationships (QSAR) in Environmental Toxicology, Edited by: Turner, J. E., England, M. W., Schultz, T. W., and Kwaak, N. J., 33–42. Springfield, VA: NTIS.
8. Stewart, J. J. P., 1990. MOPAC manual, 6th edition. 189USA: Frank J. Seiler Research Laboratory, Colorado Springs, CO, U.S. Air Force Academy.
9. Wakita, K., Yoshimoto, M., Shuichi, M., and Watanabe, H., 1986. A method for calculation of the aqueous solubility of organic compounds by using new fragment solubility constants. Chem. Pharmacol. Bull., 34: 4663–4681.
10. Yalkowsky, S. H., and Valvani, S. C., 1980. Solubility and partitioning I: Solubility of nonelectrolytes in water. J. Pharmaceut. Sci., 69: 912–922.
11. Cronin, M. T. D., and Schultz, T. W., 1996. Structure-toxicity relationships for phenols to. Tetrahymena pyriformis. Chemosphere, 32: 1453–1468.
12. Jaworska, J. S., Hunter, R. S., and Schultz, T. W., 1995. Quantitative structure-activity relationships and volume fraction analyses for selected esters. Arch. Environ. Contam. Toxicol., 29: 86–93.
13. Kidder, G. W., and Dewey, V. C., 1951. “The biochemistry of ciliates in pure culture.”. In Biochemistry and Physiology of Protozoa, Edited by: Lwoff, A., Vol. 1, 323–400. New York: Academic Press.
14. Mucinni, M., Layton, A. C., Sayler, G. S., and Schultz, T. W., 1999. Aquatic toxicities of halogenated benzoic acids to. Tetrahymena pyriformis. Bull. Environ. Contam. Toxicol., 62: 616–622.
15. Russom, C. L., Bradbury, S. P., Broderius, S. J., Hammermeister, D. E., and Drummond, R. A., 1997. Predicting modes of toxic action from chemical structure: Acute toxicity in the fathead minnow (Pinephales promelas). Environ. Toxicol. Chem., 16: 948–967.
16. Könemann, H., and Musch, A., 1981. Quantitative structure activity relationships in fish toxicity studies: 2. The influence of pH on the quantitative structure-activity relationship of chlorophcnols. Toxicology, 19: 223–228.
17. Saarikoski, J., and Viluksela, M., 1981. Influence of pH on the toxicity of substituted phenols to fish. Arch Environ. Contum. Toxicol., 10: 749–753.
18. van Gestel, C. A. M., Ma, W., and Smit, C. E., 1991. Development of QSARs in terrestrial ecoloxicology: earthworm toxicity and soil sorption of chlorophenols, chlorobenzenes, and dichloroaniline. Sci. Total Environ., 109/110: 589–604.
19. Schultz, T. W., Bearden, A. P., and Jaworska, J. S., 1996. A novel QSAR approach for estimating the toxicity of phenols. SAR QSAR Environ. Res., 5: 99–112.
20. Saarikoski, J., and Viluksela, M., 1982. Relation between physicochemical properties of phenols and their toxicity and accumulation in fish. Ecotoxicol. Environ. Saf., 6: 501–512.
21. Schwarzenbach, R. P., Stierli, R., Folsom, B. R., and Zeyer, J., 1988. Compound properties relevant for assessing the environmental partitioning of nitrophenols. Environ. Sci. Technol., 22: 83–92.
22. Jafvert, C. T., Westall, J. C., Grieder, E., and Schwarzenbach, R. P., 1990. Distribution of hydrophobic ionogenic organic compounds between octanol and water: Organic acids. Environ. Sci. Technol., 24: 1795–1803.
23. Austin, R. P., Davis, A. M., and Manners, C. N., 1995. Partitioning of ionizing molecules between aqueous buffers and phospholipid vesicles. J. Pharm. Sci., 84: 1180–1183.
24. Escher, B. I., Snozzi, M., and Schwarzenbach, R. P., 1996. Uptake, speciation, and uncoupling activity of substituted phenols in energy transducing membranes. Environ. Sci. Technol., 30: 3071–3079.
25. Schultz, T. W., Lin, D. T., and Wesley, S. K., 1992. QSARs for monosubstituted phenols and the polar narcosis mechanism of toxicity. Qual. Assur. Good Pract., Regul. Law, 2: 132–143.
26. Schüürmann, G., 1990. QSAR analysis of the acute fish toxicity of organic phosphorothionates using theoretically derived molecular descriptors. Environ. Toxicol. Chem., 9: 417–428.
27. Zhao, Y. H., Wand, L. S., Gao, H., and Zhang, Z., 1993. Quantitative structure-activity relationships- relationships between toxicity of organic chemicals to fish and to. Photobacterium phosphoreum. Chemosphere, 26: 1971–1979.
28. Schultz, T. W., Sinks, G. D., and Bearden, A. P., 1998. “QSARs in aquatic toxicology: A mechanism of action approach comparing toxic potency to Pimephales promelas, Tetrahymena pyriformis, and Vibrio fischeri.”. In Comparative QSAR, Edited by: Devillers, J., 51–109. Taylor and Francis.