The use of regression equations for quality control in a pesticide physical property database
Tóm tắt
Quality control is a crucial aspect of database management, particularly for physicochemical parameters that are widely used in modeling environmental fate processes. Complete rechecking of original studies to verify environmental fate parameters is time consuming and difficult. This paper evaluates an alternative, more efficient approach to identifying database errors. The approach focuses verification efforts on a targeted subset of entries by making use of the relationship between water solubility (S) and soil organic carbon partition coefficient (K oc ). Two regression equations, one selected from the literature and one calculated from entries in the database, were used to evaluate the reasonableness of (S, K oc ) pairs among control compared to the targeted outlier group from a total of 59 pesticides. Our hypothesis was that (S, K oc ) pairs that lay far from the regression line were more likely to be in error than those that fit the regression. Database values were checked against original studies. Identified errors in the database included coding mistakes, miscalculations, and incorrect chemical identification codes. The error rate in outlier (S, K oc ) pairs was about twice that of pairs that conformed to the regression equation; however, the error rate differential was probably not large enough to justify the use of this quality control method. Through our close scrutiny of database entries we were able to identify administrative practices that led to mistakes in the data base. Resolution of these problems will significantly decrease the number of future mistakes.
Tài liệu tham khảo
citation_journal_title=Soild Science; citation_title=Sorption of nitrogen-heterocyclic compounds by soils and sediments; citation_author=W. L. Banwart, J. J. Hassett, S. G. Wood, J. C. Means; citation_volume=133; citation_publication_date=1982; citation_pages=42-47; citation_doi=10.1097/00010694-198201000-00007; citation_id=CR1
citation_journal_title=Journal of Agricultural and Food Chemistry; citation_title=Theoretical and experimental relationships between soil adsorption, octanol-water partition coeefficients, water solubilities, bioconcentration factors, and the parachor; citation_author=G. G. Briggs; citation_volume=29; citation_publication_date=1981; citation_pages=1050-1059; citation_doi=10.1021/jf00107a040; citation_id=CR2
citation_title=Exposure analysis modeling system (EXAMS): User manual and system documentation; citation_publication_date=1982; citation_id=CR3; citation_author=L. A. Burns; citation_author=D. M. Cline; citation_author=R. R. Lassiter; citation_publisher=Environmental Research Laboratory, US Environmental Protection Agency
citation_title=Theoretical considerations of the partition uptake of nonionic organic compounds by soil organic matter; citation_inbook_title=Reactions and movement of organic chemicals in soils; citation_publication_date=1989; citation_pages=1-29; citation_id=CR4; citation_author=C. T. Chiou; citation_publisher=Soil Science Society of America, Inc. and American Society of Agronomy, Inc.
citation_journal_title=Science; citation_title=A physical concept of soil-water equilibria for nonionic organic compounds; citation_author=C. T. Chiou, L. J. Peters, V. H. Freed; citation_volume=206; citation_publication_date=1979; citation_pages=831-832; citation_id=CR5
citation_journal_title=Environmental Science and Technology; citation_title=Partition equilibria of nonionic organic compounds between soil organic matter and water; citation_author=C. T. Chiou, P. E. Porter, D. W. Schmedding; citation_volume=17; citation_publication_date=1983; citation_pages=227-231; citation_doi=10.1021/es00110a009; citation_id=CR6
citation_title=The analysis of cross-classified categorical data; citation_publication_date=1987; citation_id=CR7; citation_author=S. E. Fienberg; citation_publisher=MIT Press
citation_journal_title=Environmental Toxicology and Chemisty; citation_title=Groundwater ubiquity score: A simple method for assessing pesticide leachability; citation_author=D. I. Gustafson; citation_volume=8; citation_publication_date=1989; citation_pages=339-357; citation_id=CR8
citation_title=Setting revised specific numerical values. EH 89-13; citation_publication_date=1989; citation_id=CR9; citation_author=B. Johnson; citation_publisher=Environmental Hazards Assessment Program, State of California Department of Food and Agriculture, Division of Pest Management, Environmental Protection and Worker Safety, Environmental Monitoring and Pest Management Branch
citation_journal_title=Environmental Toxicology and Chemistry; citation_title=Relationship between the soil sorpiton constants for pesticides and their physicochemical properties; citation_author=J. Kanazawa; citation_volume=8; citation_publication_date=1989; citation_pages=477-484; citation_id=CR10
citation_journal_title=Chemosphere; citation_title=Semi-empirical estimation of sorption of hydrophobic pollutants on natural sediments and soils; citation_author=S. W. Karickhoff; citation_volume=10; citation_publication_date=1981; citation_pages=833-846; citation_doi=10.1016/0045-6535(81)90083-7; citation_id=CR11
citation_journal_title=Water Research; citation_title=Sorption of hydrophobic pollutants on natural sediments; citation_author=S. W. Karickhoff, D. S. Brown, T. A. Scott; citation_volume=13; citation_publication_date=1979; citation_pages=241-248; citation_doi=10.1016/0043-1354(79)90201-X; citation_id=CR12
Kenaga, E. E., and C. A. I. Goring. 1980. Relationship between water solubility, soil-sorption, octanol-water partitioning, and bioconcentration of chemicals in biota. Pages 78–113in J. G. Eaton, P. R. Parrish, and A. C. Hendricks (eds.), Aquatic toxicology: proceedings of the third annual symposium on aquatic toxicology. ASTM Special Technical Publication 707, Philadelphia, Pennsylvania.
citation_title=Adsorption coefficient for soils and sediments; citation_inbook_title=Handbook of chemical property estimation methods; citation_publication_date=1990; citation_pages=4-1-4-31; citation_id=CR14; citation_author=W. Lyman; citation_publisher=American Chemical Society
citation_journal_title=Environmental Science and Technology; citation_title=Sorption of amino- and carboxy-substituted polyaromatic hydrocarbons by sediments and soils; citation_author=J. C. Means, S. G. Wood, J. J. Hassett, W. L. Banwart; citation_volume=16; citation_publication_date=1982; citation_pages=93-98; citation_doi=10.1021/es00096a007; citation_id=CR15
citation_journal_title=Online; citation_title=Quality control and the zen of database production; citation_author=A. P. Mintz; citation_volume=14; citation_publication_date=1990; citation_pages=15-23; citation_doi=10.1108/eb024328; citation_id=CR16
citation_title=Equilibrium models for the initial integration of physical and chemical properties; citation_inbook_title=Environmental exposure from chemical, Vol I; citation_publication_date=1990; citation_pages=217-231; citation_id=CR17; citation_author=S. Paterson; citation_publisher=CRC Press
PCPA (Pesticide Contamination Prevention Act) 1985 Article 15, Chapter 2, Division 7 of the Food and Agricultural Code, Statutes of 1985, Chapter 1298.
citation_title=Solubility, partition coefficient, and bioconcentration factor; citation_inbook_title=Fate of pesticides in the environment; citation_publication_date=1987; citation_pages=53-59; citation_id=CR19; citation_author=J. N. Seiber; citation_publisher=Agricultural Experiment Station, Division of Agriculture and Natural Resources, University of California
citation_journal_title=Reviews of Environmental Contamination and Toxicology; citation_title=Solubilities of pesticide chemicals in water. I. Environmental physical chemistry; citation_author=W. Y. K. Shiu, K. C. Ma, D. Mackay, J. N. Seiber, R. D. Wauchope; citation_volume=116; citation_publication_date=1990; citation_pages=1-13; citation_id=CR20
citation_title=Principles and procedures of statics; citation_publication_date=1960; citation_id=CR21; citation_author=R. G. D. Steel; citation_author=J. H. Torrie; citation_publisher=McGraw-Hill
citation_journal_title=Reviews of Environmental Contamination and Toxicology; citation_title=Critical review of Henry's Law constants for pesticides; citation_author=L. R. Suntio, W. Y. Shiu, D. Mackay, J. N. Seiber, D. Glotfelty; citation_volume=103; citation_publication_date=1988; citation_pages=1-59; citation_id=CR22