Estimating the persistence of organic contaminants in indirect potable reuse systems using quantitative structure activity relationship (QSAR)

Science of the Total Environment

Volumn 433, Issue , 2012, Pages 1-7

  Lim, Seung Joo ^a   Fox, Peter ^b  

^a Korea Atomic Energy Research Institute   (South Korea)

^b Arizona State University   (United States)

Author keywords

AOPWIN; BIOWIN; EPI Suite; Half life; Indirect potable reuse

Indexed keywords

AOPWIN; BIOWIN; EPI SUITE; HALF LIVES; INDIRECT POTABLE REUSE;

BIODEGRADATION; FORECASTING; ORGANIC CHEMICALS; SORPTION;

COMPUTATIONAL CHEMISTRY;

HALOGENATED HYDROCARBON; HERBICIDE; PESTICIDE; POLYCYCLIC AROMATIC HYDROCARBON;

BIODEGRADATION; CHEMICAL POLLUTANT; ENVIRONMENTAL IMPACT; HALF LIFE; ORGANIC POLLUTANT; OXIDATION; POLLUTANT TRANSPORT; PREDICTION; QUANTITATIVE ANALYSIS; SORPTION;

ACCURACY; ADSORPTION; ARTICLE; BIODEGRADATION; CONTROLLED STUDY; MATHEMATICAL MODEL; OXIDATION KINETICS; POLLUTION MONITORING; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; VALIDATION PROCESS; WASTE WATER RECYCLING; WASTE WATER TREATMENT PLANT; WATER POLLUTANT; WATER POLLUTION;

DRINKING WATER; ORGANIC CHEMICALS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; WATER POLLUTANTS, CHEMICAL;

EID: 84863188735     PISSN: 00489697     EISSN: 18791026     Source Type: Journal    
DOI: 10.1016/j.scitotenv.2012.06.041     Document Type: Article

References (64)

1. Aronson D., Boethling R., Howard P., Stiteler W. Estimating biodegradation half-lives for use in chemical screening. Chemosphere 2006, 63:1953-1960.
2. Balk F., Ford R.A. Environmental risk assessment for the polycyclic musk AHTN and HHCB in the EU. Toxicol Lett 1999, 111:57-79.
3. Bartels I., Knackmuss H., Reineke W. Suicide inactivation of catechol 2,3-dioxygenase from Pseudomonas putida mt-2 by 3-halocatechols. Appl Environ Microbiol 1984, 47:500-505.
4. Boethling R.S., Sabljic A. Screening-level model for aerobic biodegradability based on a survey of expert knowledge. Environ Sci Technol 1989, 23:672-679.
5. Boethling R.S., Howard P.H., Meylan W., Stiteler W., Beauman J., Tirado N. Group contribution method for predicting probability and rate of aerobic biodegradation. Environ Sci Technol 1994, 28:459-465.
6. Bouwer H. Simple derivation of the retardation equation and application to preferential flow and macrodispersion. Ground Water 1991, 29:41-46.
7. Boxall A.B.A., Fogg L., Blackwell P.A., Kay P., Pemberton E.J. Review of veterinary medicines in the environment 2002, Environment agency, Bristol.
8. Carr DL, Morse AN, Zak JC, Anderson TA. Biological degradation of common pharmaceuticals and personal care products in soils with high water content. Water Air Soil Pollut 2011;217:127-34.
9. Castro T.F., Yoshida T. Degradation of organochlorine insecticides in flooded soils in the Philippines. J Agric Food Chem 1971, 19:1168-1170.
10. Daughton C.G., Ternes T.A. Pharmaceuticals and personal care products in the environment: agents of subtle change?. Environ Health Perspect 1999, 107:907-938.
11. Drewes J.E., Heberer T., Reddersen K. Fate of pharmaceuticals during indirect potable reuse. Water Sci Technol 2002, 46:73-80.
12. Drewes J.E., Bellona C., Oedekoven M., Xu P., Kim T.U., Amy G. Rejection of wastewater-derived micropollutants in high-pressure membrane applications leading to indirect potable reuse. Environ Prog 2005, 24:400-409.
13. Eberbach P. Applying non-steady-state compartmental analysis to investigate the simultaneous degradation of soluble and sorbed glyphosate (n-(phosphonomethyl)glycine) in four soils. Pestic Sci 1998, 52:229-240.
14. Fox P., Narayanaswamy K., Genz A., Drewes J.E. Water quality transformations during soil aquifer treatment at the Mesa northwest reclamation plant, USA. Water Sci Technol 2001, 43:343-350.
15. Fox P, Lim SJ, Flander L, Speirs-Bridge A, Skrepnak G, Soller J, Nellor M. Predicting future contaminants of concern for indirect potable water reuse. WateReuse in press.
16. Fritz K.L. Toxicological assessment. Waste and hazardous materials division department of natural resources and environment Available from. http://mi.gov/documents/deq/deq-rrd-PhenytoinKLFToxicologicalAssessmentInterimDraft_323614_7.pdf.
17. Gouin T., Cousins I., Mackay D. Comparison of two methods for obtaining degradation half-lives. Chemosphere 2004, 56:531-535.
18. Gowda T.K.S., Sethunathan N. Persistence of endrin in Indian rice soils under flooded conditions. J Agric Food Chem 1976, 24:750-753.
19. oc correlations. Environ Sci Technol 1990, 24:1687-1693.
20. Guesten H., Medven Z., Sekusak S., Sabljic A. Predicting tropospheric degradation of chemicals: from estimation to computation. SAR QSAR Environ Res 1995, 4:197-209.
21. Gurr C.J., Reinhard M. Harnessing natural attenuation of pharmaceuticals and hormones in rivers. Environ Sci Technol 2006, 40:2872-2876.
22. Güsten H., Filby W.G., Schoof S. Prediction of hydroxyl radical reaction rates with organic compounds in the gas phase. Atmos Environ 1981, 15:1763-1765.
23. Haag W.R., Yao C.C.D. Rate constants for reaction of hydroxyl radicals with several drinking water contaminants. Environ Sci Technol 1992, 26:1005-1013.
24. Halling-Sørensen B., Nielsen N.S., Lanzky P.F., Ingerslev F., Holten Lützhøft H.C., Jørgensen S.E. Occurrence, fate, and effects of pharmaceutical substances in the environment-a review. Chemosphere 1998, 36:357-393.
25. Heberer T. Tracking persistent pharmaceutical residues from municipal sewage to drinking water. J Hydrol 2002, 266:175-189.
26. Heidler J., Halden R. Meta-analysis of mass balances examining chemical fate during wastewater treatment. Environ Sci Technol 2008, 42:6324-6332.
27. Hellou J., Mackay D., Banoub J. Levels, persistence and bioavailability of organic contaminants present in marine harbor sediments impacted by raw sewage. Chemosphere 1999, 38:457-473.
28. Hernando M.D., Agüera A., Fernández-Alba A.R. LC-MS analysis and environmental risk of lipid regulators. Anal Bioanal Chem 2007, 387:1269-1285.
29. Hirsch R., Ternes T., Haberer K., Kratz K. Occurrence of antibiotics in the aquatic environment. Sci Total Environ 1999, 225:109-118.
30. Howard P.H., Boethling R.S., Stiteler W.M., Meylan W.M., Hueber A.E., Beauman J.A. Predictive model for aerobic biodegradability developed from a file of evaluated biodegradation data. Environ Toxicol Chem 1992, 11:593-603.
31. Kalsch W. Biodegradation of the iodinated X-ray contrast media diatrizoate and iopromide. Sci Total Environ 1999, 225:143-153.
32. Karuzina I.I., Archakov A.I. The oxidative inactivation of cytochrome P450 in monooxygenase reactions. Free Radic Biol Med 1994, 16:73-97.
33. OH. Z Naturforsch 1985, 40a:686-692.
34. Kollman W., Segawa R. Pest chemistry database. Environmental Hazards Assessment Program 2000, California Department of Pesticide Regulation, Sacramento, CA.
35. Kolpin D.W., Furlong E.T., Meyer M.T., Thurman E.M., Zaugg S.D., Barber L.B. Pharmaceuticals, hormones, and other organic wastewater contaminants in U.S. streams, 1999-2000: a national reconnaissance. Environ Sci Technol 2002, 36:1202-1211.
36. Kookana R.S., Baskaran S., Naidu R. Pesticide fate and behaviour in Australian soils in relation to contamination and management of soil and water: a review. Aus J Soil Res 1998, 36:715-764.
37. Kühne R., Ebert R.U., Schüürmann G. Estimation of compartmental half-lives of organic compounds-structure similarity versus EPI-Suite. QSAR Comb Sci 2006, 26:542-549.
38. Kwon J.W., Armbrust K.L. Laboratory persistence and fate of fluoxetine in aquatic environments. Environ Toxicol Chem 2006, 25:2561-2568.
39. Lam M.W., Young C.J., Brain R.A., Johnson D.J., Hanson M.A., Wilson C.J., Richards S.M., Solomon K.R., Mabury S.A. Aquatic persistence of eight pharmaceuticals in a microcosm study. Environ Toxicol Chem 2004, 23:1431-1440.
40. Lee L.S., Strock T.J., Sarmah A.K., Rao P.S.C. Sorption and dissipation of testosterone, estrogens, and their primary transformation products in soils and sediment. Environ Sci Technol 2003, 37:4098-4105.
41. Luthy R.G., Aiken G.R., Brusseau M.L., Cunningham S.D., Gschwend P.M., Pignatello J.J., Reinhard M., Traina S.J., Weber W.J., Westall J.C. Sequestration of hydrophobic organic contaminants by geosorbents. Environ Sci Technol 1997, 31:3341-3347.
42. Mackay D., Boethling R.S. Handbook of property estimation methods for chemicals: environmental health sciences 2000, CRC Press, New York.
43. Mackey D., Paterdon S., Shiu W.Y. Generic models for evaluating for regional fate of chemicals. Chemosphere 1992, 24:695-717.
44. Meylan W., Boethling R., Aronson D., Howard P., Tunkel J. Chemical structure-based predictive model for methanogenic anaerobic biodegradation potential. Environ Toxicol Chem 2007, 26:1785-1792.
45. Monteiro S.C., Boxall A.B.A. Occurrence and fate of human pharmaceuticals in the environment. Review of environmental contamination and toxicology 2010, Springer, New York. 1st ed.
46. Nalinakumari B., Cha W., Fox P. Effects of primary substrate concentration on NDMA transport during simulated aquifer recharge. J Environ Eng 2010, 136:363-370.
47. Nam K., Alexander M. Role of nanoporosity and hydrophobicity in sequestration and bioavailability: tests with model solids. Environ Sci Technol 1998, 32:71-74.
48. Nendza M. Structure-activity relationships in environmental sciences 1998, Chapman & Hall, New York.
49. Niederer C., Goss K.U. Effect of ortho-chlorine substitution on the partition behavior of chlorophenols. Chemosphere 2008, 71:697-702.
50. Ohio EPA. Vadose zone modeling RCRA closure, Division of hazardous wastes management Ohio Environmental Protection Agency. Columbus. Cincinnati; 2005. Available from http://epa.ohio.gov/portals/32/pdf/VadoseFinal122904.pdf.
51. Pingali P.L., Roger P.A. Impact of pesticides on farmer health and the rice environment 1995, Kluwer Academic Publishers, New York.
52. Sabljic A., Peijnenburg W. Recommendation on modeling lifetime and degradability of organic compounds in air, soil, and water systems. Pure Appl Chem 2001, 73:1331-1348.
53. Salveson A., Brown J., Zhou Z. Monitoring for microconstituents in an advanced wastewater treatment (AWT) facility and modeling discharge of reclaimed water to surface canals for indirect portable use. WateReuse 2010.
54. Schlüsener M.P., Bester K. Persistence of antibiotics such as macrolides, tiamulin and salinomycin in soil. Environ Pollut 2005, 143:565-571.
55. Schwarzenbach R.P., Gschwend P.M., Imboden D.M. Environment organic chemistry 2003, Wiley, New York. 2nd ed.
56. Smith M.J., Lethbridge G., Burns R.G. Bioavailability and biodegradation of polycyclic aromatic hydrocarbons in soils. FEMS Microbiol Lett 1997, 152:141-147.
57. Stumm-Zollinger E., Fair G.M. Biodegradation of steroid hormones. J Water Pollut Control Fed 1965, 37:1506-1509.
58. Ternes T.A. Occurrence of drugs in German sewage treatment plants and rivers. Water Res 1998, 32:3245-3260.
59. Tunkel J., Howard P.H., Boethling R.S., Stiteler W., Loonen H. Prediction ready biodegradability in the Japanese ministry of international trade and industry test. Environ Toxicol Chem 2000, 19:2478-2485.
60. US EPA In-situ aquifer restoration of chlorinated aliphatics by methanotrophic bacteria. Cincinnati, OH. EPA/600/S2-89/033 1998.
61. US EPA Pollution prevention (P2) framework. EPA-748-B-04-001 2005.
62. Westerhoff P., Yoon Y., Snyder S., Wert E. Fate of endocrine-disruptor, pharmaceutical, and personal care product chemicals during simulated drinking water treatment processes. Environ Sci Technol 2005, 39:6649-6663.
63. Xu J., Wu L., Chen W., Chang A.C. Leaching potential of nonsteroidal anti-inflammatory drugs in soils. Environ Toxicol Chem 2010, 29:800-807.
64. Ying G.G., Kookana R., Waite T.D. Australian water conservation and reuse research program: endocrine disrupting chemicals (EDCs) and pharmaceuticals and personal care products (PPCPs) in reclaimed water in Australia 2004, CSIRO & AWA, Sydney.