Investigation on the binding of polycyclic aromatic hydrocarbons with soil organic matter: A theoretical approach

Molecules

Volumn 12, Issue 4, 2007, Pages 703-715

  Saparpakorn, Patchreenart ^a   Jae, Hyoun Kim ^b   Hannongbua, Supa ^a  

^a KASETSART UNIVERSITY   (Thailand)

^b Dongduk Women's University   (South Korea)

Author keywords

Fulvic acid; Humic acid; PAHs; Soil; SOM

Indexed keywords

BENZOPYRAN DERIVATIVE; FULVIC ACID; ION; OCTANOL; ORGANIC COMPOUND; POLYCYCLIC AROMATIC HYDROCARBON; WATER;

ARTICLE; BINDING SITE; CHEMICAL MODEL; CHEMISTRY; COMPUTER PROGRAM; CONFORMATION; HUMIC SUBSTANCE; SEDIMENT; SOIL; SOIL POLLUTANT; THEORETICAL MODEL;

BENZOPYRANS; BINDING SITES; GEOLOGIC SEDIMENTS; HUMIC SUBSTANCES; IONS; MODELS, CHEMICAL; MODELS, THEORETICAL; MOLECULAR CONFORMATION; OCTANOLS; ORGANIC CHEMICALS; POLYCYCLIC HYDROCARBONS, AROMATIC; SOFTWARE; SOIL; SOIL POLLUTANTS; WATER;

EID: 34247853458     PISSN: None     EISSN: 14203049     Source Type: Journal    
DOI: 10.3390/12040703     Document Type: Article

References (24)

1. Samanta, S. K.; Singh, O. V.; Jain, R. K. Polycyclic aromatic hydrocarbons: environmental pollution and bioremediation. Trends Biotechnol. 2002, 20, 243-248.
2. 13C-CPMAS-NMR-spectroscopy: evidence of covalent bonds. Chemosphere 2002, 48, 117-131.
3. Laor, Y.; Rebhun, M. Evidence for nonlinear binding of PAHs to dissolved humic acids. Environ. Sci. Technol. 2002, 36, 955-961.
4. Zhang, H. B.; Luo, Y. M.; Wong, M. H.; Zhao, Q. G.; Zhang, G. L. Distributions and concentrations of PAHs in Hong Kong soils. Environ. Pollut. 2006, 141, 107-114.
5. Zhou, W.; Zhu, L. Distribution of polycyclic aromatic hydrocarbons in soil-water system containing a nonionic surfactant. Chemosphere 2005, 60, 1237-1245.
6. Golobočanin, D. D.; Škrbić, B. D.; Miljević, N. R. Principal component analysis for soil contamination with PAHs. Chemom. Intell. Lab. Syst. 2004, 72, 219-223.
7. Haigh, S. D. A review of the interaction of surfactants with organic contaminants in soil. Sci. Tot. Environ. 1996, 185, 161-170.
8. Schnitzer, M.; Kodama, H.; Ripmeester, J. A. Determination of the aromaticity of humic substances by X-ray diffraction analysis. Soil Sci. Soc. Am. J. 1991, 55, 745-750.
9. Sutton, R.; Sposito, G. Molecular structure in soil humic substances: The new view. Environ. Sci. Technol. 2005, 39, 9009-9015.
10. Schulten, H. R.; Schnitzer, M. The chemistry of soil organic nitrogen: a review. Biol. Fertil. Soils 1998, 26, 1-15.
11. Peña-Méndez, E. N.; Havel, J.; Patočka, J. Humic substances-compounds of still unknown structure: applications in agriculture, industry, environment, and biomedicine. J. Appl. Biomed. 2005, 3, 13-24.
12. Piccolo, A. The supramolecular structure of humic substances. Soil Sci. 2001, 166, 810-832.
13. Schulten, H.; Schnitzer, M. Chemical model structures for soil organic matter and soils. Soil Sci. 1997, 162, 115-130.
14. Buffle, J.; Greter, F. L.; Haerdi, W. Measurement of complexation properties of humic and fulvic acids in natural waters with lead and copper ion-selective electrodes. Anal. Chem. 1977, 49, 216-222.
15. Stevenson, F. J. Humus chemistry genesis, composition, reactions; Wiley Interscience: New York, 1982.
16. Nègre, M.; Schulten, H. R.; Gennari, M.; Vindrola, D. Interaction of imidazolinone herbicides with soil humic acids. Experimental results and molecular modeling. J. Environ. Sci. Health B 2001, 36, 107-125.
17. Tripos Inc., SYBYL 7.0; St. Louis: MO, USA.
18. Clark, M.; Cramer III, R. D.; Van Opdenbosch, N. Validation of the general purpose Tripos 5.2 Force Field. J. Comput. Chem. 1989, 10, 982-1012.
19. Frisch, M. J. et al., Gaussian03; Gaussian, Inc.: Pittsburgh, PA, 2003.
20. Barak, P.; Nater, E. A. The Virtual Museum of Minerals and Molecules, Univ. of Wisconsin-Madison, Madison, WI., 1999. Available online at: http://www.soils.wisc.edu/virtual_museum/
21. Morris, G. M.; Goodsell, D. S.; Halliday, R. S.; Huey, R.; Hart, W. E.; Belew, R. K.; Olson, A. J. Automated docking using a lamarckian genetic algorithm and empirical binding free energy function. J. Comput. Chem. 1998, 19, 1639-1662.
22. Karcher, W.; Fordham, R. J.; Dubois, J. J.; Glaude, P. J. G. M.; Lighart, J. A. M. Spectral atlas of polycyclic aromatic compounds; Kluwer Academic Publishers: Dordrecht, The Netherlands, 1988; vol. 2.
23. Mackay, D.; Shiu, W. Y.; Ma, K. C. Illustrated handbook of physical-chemical properties and environmental fate for organic chemicals; Lewis: London, 1998; vol. 3.
24. Ribeiro, F. A. L.; Ferreira, M. M. C. QSPR models of boiling point, octanol-water partition coefficient and retention time index of polycyclic aromatic hydrocarbons. J. Mol. Struc., 2003, 663, 109-126.