A quantitative structure-activity relationships (QSAR) analysis of triarylmethane dye tracers

Journal of Hydrology

Volumn 316, Issue 1-4, 2006, Pages 84-97

  Mon, Jarai ^a   Flury, Markus ^a   Harsh, James B ^a  

^a WASHINGTON STATE UNIVERSITY   (United States)

Author keywords

Dyes; Hydrological tracers; QSAR; Sorption; Water tracing

Indexed keywords

DYES; ISOTHERMS; SAND; SORPTION; TOXICITY;

HYDROLOGICAL TRACERS; LANGMUIR ISOTHERMS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS (QSAR); SANDY SOIL;

HYDROLOGY;

DYE TRACER;

EID: 28744455604     PISSN: 00221694     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jhydrol.2005.04.027     Document Type: Article

References (39)

1. S. Bintein, and J. Devillers QSAR for organic chemical sorption in soils and sediments Chemosphere 28 1994 1171 1188
2. N. Bodor, Z. Gabanyi, and C.K. Wong A new method for the estimation of partition coefficient J. Am. Chem. Soc. 111 1989 3783 3786
3. Colour Index third ed. Colour Index vol. 4 1971 The Society of Dyers and Colourists London
4. Colour Index Colour Index International Fourth Edition Online 2001 Society of Dyers and Colourists and the American Association of Textile Chemists and Colorists Bradford, England http://www.colour-index.org, accessed September 2004
5. J.C. Corey Evaluation of dyes for tracing water movement in acid soils Soil Sci. 106 1968 182 187
6. S.N. Davis, G.M. Thompson, H.W. Bentley, and G. Stiles Ground-water tracers - a short review Ground Water 18 1980 14 23
7. B.P. Drew A review of the available methods for tracing underground waters Proc. Br. Speleol. Assoc. 6 1968 1 19
8. M. Flury, and H. Flühler Brilliant Blue FCF as a dye tracer for solute transport studies - a toxicological overview J. Environ. Qual. 23 1994 1108 1112
9. M. Flury, and H. Flühler Tracer characteristics of Brilliant Blue FCF Soil Sci. Soc. Am. J. 59 1995 22 27
10. M. Flury, and N.N. Wai Dyes as tracers for vadose zone hydrology Rev. Geophys. 41 2003 1002 10.1029/2001RG000109
11. J. German-Heins, and M. Flury Sorption of Brilliant Blue FCF in soils as affected by pH and ionic strength Geoderma 97 2000 87 101
12. Z. Gerstl, and C.S. Helling Evaluation of molecular connectivity as a predictive method for the adsorption of pesticides by soil J. Environ. Sci. Health, Part B 87 1987 55 69
13. L.H. Hall, and L.B. Kier Issues in representation of molecular structure: the development of molecular connectivity J. Mol. Graph. Model. 20 2001 4 18
14. L.H. Hall, G.E. Kellogg, and D.N. Haney Molconn-Z 4.00 User's Guide 2002 Edusoft-lc, Inc Ashland, VA online at http://www.edusoft-lc.com/molcomm/manuals/ 400/chaptwo.html, accessed May 2003
15. L.H. Hall, L.B. Kier, and L.M. Hall The Guide for Development of QSAR with MDL QSAR 2002 MDL Information System San Leandro, CA
16. C. Hansch, and T. Fujita Status of QSAR at the end of the twentieth century C. Hansch T. Fujita Classical and Three-Dimensional QSAR in Agro-chemistry. Vol. Symposium Series 606 1995 American Chemical Society Washington, DC 1 12
17. oc for phenylthio, phenylsulfinyl and phenylsulfonyl acetates Chemosphere 34 1997 827 834
18. L.B. Kier, and L.H. Hall Molecular Connectivity in Structure-Activity Analysis 1986 Wiley New York
19. L.B. Kier, and L.H. Hall Molecular Structure Description: the Electrotopological State 1999 Academic Press San Diego, CA
20. L.B. Kier, and L.H. Hall Intermolecular accessibility: the meaning of molecular connectivity J. Chem. Inf. Comput. Sci. 40 2000 792 795
21. M.J. McLaughlin A review on the use of dyes as soil water tracers Water SA 8 1982 196 201
22. J. McMurry Organic Chemistry 1996 Brooks/Cole Publishing Company Pacific Grove, CA
23. W. Meylan, P.H. Howard, and R.S. Boethling Molecular topology/fragment contribution method for predicting soil sorption coefficients Environ. Sci. Technol. 26 1992 1560 1566
24. M. Nendza Structure Activity Relationships in Environmental Sciences 1998 Chapman & Hall London, UK
25. L. Pussemier, R. de Borger, P. Cloos, and R. van Bladel Relation between the molecular structure and the adsorption of arylcarbamate, phenylurea, and anilide pesticides in soil and model organic adsorbents Chemosphere 18 1989 1871 1882
26. A. Reife, and H.S. Freeman Carbon adsorption of dyes and selected intermediates A. Reife H.S. Freeman Environmental Chemistry of Dyes and Pigments 1996 Wiley New York 3 31
27. A. Sabljić On the prediction of soil sorption coefficients of organic pollutants from molecular structure: application of molecular topology model Environ. Sci. Technol. 21 1987 358 366
28. A. Sabljić Quantitative modeling of soil sorption for xenobiotic chemicals Environ. Health Perspect. 83 1989 179 190
29. A. Sabljić QSAR models for estimating properties of persistent organic pollutants required in evaluation of their environmental fate and risk Chemosphere 43 2001 363 375
30. A. Sabljić, and M. Protic Relationships between molecular connectivity indices and soil sorption coefficients of polycyclic aromatic hydrocarbons Bull. Environ. Contam. Toxicol. 28 1982 162 165
31. ow correlations Chemosphere 31 1995 4489 4514
32. C.P. Schulthess, and D.K. Dey Estimation of Langmuir constants using linear and nonlinear least squares regression analyses Soil Sci. Soc. Am. J. 60 1996 433 442
33. R.P. Schwarzenbach, P.M. Gschwend, and D.M. Imboden Environmental Organic Chemistry second ed. 2003 Wiley New York, NY
34. S. Sekusak, and A. Sabljić Soil sorption and chemical topology J. Math. Chem. 11 1992 271 280
35. P.L. Smart, and I.M.S. Laidlaw An evaluation of some fluorescent dyes for water tracing Water Resour. Res. 13 1977 15 33
36. oc) for soil by topological indices and polarity factors Chemosphere 39 2000 2019 2034
37. D. Vasudevan, R.L. Fimmen, and A.B. Francisco Tracer-grade Rhodamine WT: structure of constituent isomers and their sorption behavior Environ. Sci. Technol. 35 2001 4089 4096
38. F. Worrall A molecular topology approach to predicting pesticide pollution of ground-water Environ. Sci. Technol. 35 2001 2282 2287
39. H. Zollinger Color Chemistry. Syntheses, Properties and Applications of Organic Dyes and Pigments second, revised ed. 1991 VCH Verlagsgesellschaft Weinheim, Germany