QSPR study about sampling rates of semipermeable membrane devices for monitoring of organochlorine pesticides in Alps air

Chinese Science Bulletin

Volumn 56, Issue 18, 2011, Pages 1884-1889

  Zhu, Xiu Hua ^a   Ding, Guang Hui ^b   Levy, Walkiria ^c   Jakobi, Gert ^c   Offenthaler, Ivo ^e   Moche, Wolfang ^e   Weiss, Peter ^e   Schramm, Karl Werner ^c,d  

^a DALIAN JIAOTONG UNIVERSITY   (China)

^b DALIAN MARITIME UNIVERSITY   (China)

^c INSTITUTE OF EPIDEMIOLOGY   (Germany)

^d TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^e ENVIRONMENT AGENCY AUSTRIA   (Austria)

Author keywords

air sampling rate; organochlorine pesticides; quantitative structure property relationship; semipermeable membrane device

Indexed keywords

EID: 79958076327     PISSN: 10016538     EISSN: 18619541     Source Type: Journal    
DOI: 10.1007/s11434-011-4511-2     Document Type: Article

References (35)

1. Petty J D, Huckins J N, Zajicek J L. Application of semipermebiale membrane devices (SPMDs) as passive air sampling. Chemosphere, 1993, 27: 1609-1624.
2. Huckins J N, Petty J D, Booij K. Monitors of Organic Chemicals in the Environment-Semipermeable Membrane Device. New York: Springer Science, 2006.
3. Esteve-Turrillas F A, Pastor A, Yusà V, et al. Using semi-permeable membrane devices as passive samplers. Trends Anal Chem, 2007, 26: 703-712.
4. Esteve-Turrillas F A, Yusà V, Pastor A, et al. New perspectives in the use of semipermeable membrane devices as passive samplers. Talanta, 2008, 74: 443-457.
5. Zhu X, Pfister G, Henkelmann B, et al. Simultaneous monitoring of PCDD/Fs and PCBs in contaminated air with semipermeable membrane devices and fresh spruce needles. Chemosphere, 2007, 68: 1623-1629.
6. Zhu X, Pfister G, Henkelmann B, et al. Simultaneous monitoring of profiles of polycyclic aromatic hydrocarbons in contaminated air with semipermeable membrane devices and spruce needles. Environ Pollut, 2008, 156: 461-466.
7. Yu G, Huang J. One Hundred Questions About the Knowledge of POPs (in Chinese). Beijing: Chinese Environmental Science Press, 2005. 5-7.
8. Ockenden W A, Sweetman A J, Prest H F, et al. Toward an understanding of the global atmospheric distribution of persistent organic pollutants: The use of semipermeable membrane devices as time-integrated passive samplers. Environ Sci Technol, 1998, 32: 2795-2803.
9. Bartkow M E, Huckins J N, Mu J F. Field-based evaluation of semipermeable membrane devices (SPMDs) as passive air samplers of polyaromatic hydrocarbons (PAHs). Atmos Environ, 2004, 38: 5983-5990.
10. Liu G Q, Zhang G, Li J, et al. Spatial distribution and seasonal variations of polycyclic aromatic hydrocarbons (PAHs) using semipermeable membrane devices (SPMD) and pine needles in the Pearl River Delta, South China. Atmos Environ, 2006, 40: 3134-3143.
11. Ockenden W A, Prest H F, Thomas G O, et al. Passive air sampling of PCBs: Field calculation of atmospheric sampling rates by trioleincontaining semipermeable membrane devices. Environ Sci Technol, 1998, 32: 1538-1543.
12. Shoeib M, Harner T. Characterization and comparison of three passive air samplers for persistent organic pollutants. Environ Sci Technol, 2002, 36: 4142-4151.
13. van Drooge B L, Grimalt J O, Booij K, et al. Passive sampling of atmospheric organochlorine compounds by SPMDs in a remote high mountain area. Atmos Environ, 2005, 39: 5195-5204.
14. Ding G, Chen J, Qiao X, et al. Quantitative relationships between molecular structures, environmental temperatures and solid vapor pressures of PCDD/Fs. Chemosphere, 2006, 62: 1057-1063.
15. Zhu X H, Wang W, Schramm K W, et al. Prediction of Kováts retention indices for thiols using quantumchemical and physicochemical descriptors. Chromatographia, 2007, 65: 719-724.
16. Chen J W, Harner T, Ding G H, et al. Universal predictive models on octanol-air partition coefficients at different temperatures for persistent organic pollutants. Environ Toxicol Chem, 2004, 23: 2309-2317.
17. Li X H, Chen J W, Zhang L, et al. The Fragment constant method for predicting octanol-air partition coefficients of persistent organic pollutants at different temperatures. J Phy Chem Ref Data, 2006, 35: 1365-1384.
18. Lohmann R, Corrigan B P, Howsam M, et al. Further Developments in the use of semipermeable membrane devices (SPMDs) as passive air samplers for persistent organic pollutants: Field application in a spatial survey of PCDD/Fs and PAHs. Environ Sci Technol, 2001, 35: 2576-2582.
19. Levy W, Henkelmann B, Pfister G, et al. Monitoring of PCDD/Fs in a mountain forest by means of active and passive sampling. Environ Res, 2007, 105: 300-306.
20. Moche W, Bassan R, Belis C A, et al. Source region specific ambient air sampling of POP in the Alps. Organohalogen Compounds, 2008, 70: 361-364.
21. Offenthaler I, Jakobi G, Kaiser A, et al. Novel sampling methods for atmospheric semi-volatile organic compounds (SOCs) in a high altitude alpine environment. Environ Pollut, 2009, 157: 3290-3297.
22. Stewart J J P. Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements. J Mol Model, 2007, 13: 1173-1213.
23. Stewart J J P. MOPAC 2009 Version 8. 318W. Stewart computational chemistry Colorado Springs CO USA, 2008, http://www. Open-MOPAC. net. [01-12-2008].
24. Alparone A, Librando V, Minniti Z. Validation of semiempirical PM6 method for the prediction of molecular properties of polycyclic aromatic hydrocarbons and fullerenes. Chem Phys Lett, 2008, 460: 151-154.
25. Puzyn T, Suzuki N, Haranczyk M, et al. Calculation of quantummechanical descriptors for QSPR at the DFT Level: Is it necessary? J Chem Inf Model, 2008, 48: 1174-1180.
26. Puzyn T, Mostrag A, Suzuk N, et al. QSPR-based estimation of the atmospheric persistence for chloronaphthalene congeners. Atmos Environ, 2008, 42: 6627-6636.
27. Kier L B. Inclusion of symmetry as a shape attribute in Kappa index analysis. Quant Struct-Act Rel, 1987, 6: 8-12.
28. Kier L B. An index of molecular flexibility from Kappa shape attributes. Quant Struct-Act Rel, 1989, 8: 221-224.
29. Connolly M L. The molecular surface package. J Mol Graphics, 1993, 11: 139-141.
30. Todeschini R, Consonni V. Handbook of Molecular Descriptors. Weinheim: Wiley-VCH Verlag, 2000.
31. Wold S, Sjöström M, Eriksson L. PLS-regression: A basic tool of chemometrics. Chemometr Intell Lab, 2001, 58: 109-130.
32. Xi T, Sun Y, Liu X. Environmental Monitoring (in Chinese). Beijing: Higher Education Press, 2004. 424.
33. Ockenden W A, Corrigan B P, Howsam M, et al. Futher developments in the use of semipermeable membrane devices as passive air samplers: Application to PCBs. Environ Sci Technol, 2001, 35: 4536-4543.
34. Kamlet M J, Doherty R M, Abbound J L, et al. Solubility-A new look. Chemtech, 1986, 16: 566-576.
35. Kamlet M J, Taft R W. Linear solvation energy relationships. Local empirical rules or Fundamental laws of chemistry? A reply to the chemometricians. Acta Chem Scand B, 1985, 39: 611-628.