Screening of lake sediments for emerging contaminants by liquid chromatography atmospheric pressure photoionization and electrospray ionization coupled to high resolution mass spectrometry

Environmental Science and Technology

Volumn 47, Issue 2, 2013, Pages 976-986

  Chiaia Hernandez, Aurea C ^a,b   Krauss, Martin ^c   Hollender, Juliane ^a,b  

^a SWISS FEDERAL INSTITUTE OF AQUATIC SCIENCE AND TECHNOLOGY   (Switzerland)

^b ETH ZURICH   (Switzerland)

^c HELMHOLTZ CENTRE FOR ENVIRONMENTAL RESEARCH UFZ   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ATMOSPHERIC PRESSURE PHOTOIONIZATION; AVERAGE RECOVERY; EMERGING CONTAMINANT; HIGH RESOLUTION; HIGH RESOLUTION MASS SPECTROMETRY; LAKE SEDIMENTS; LIGHT STABILIZERS; LIMITS OF QUANTIFICATION; LIQUID-LIQUIDS; METHOD DETECTION LIMITS; MULTIRESIDUE METHOD; MUSK FRAGRANCES; ORBITRAP; PERSONAL CARE PRODUCTS; PHYSICOCHEMICAL PROPERTY; PRESSURIZED LIQUID EXTRACTION; QUATERNARY AMMONIUM SURFACTANTS; REFERENCE STANDARD; RETROSPECTIVE ANALYSIS; SEDIMENT CORE; SEDIMENT SAMPLES; SWITZERLAND; TARGET COMPOUND; TRANSFORMATION PRODUCTS; TREATMENT EFFICIENCY; TRICLOCARBAN; TRICLOSAN;

BIOCIDES; ELECTROSPRAY IONIZATION; FRAGRANCES; IONIZATION; LAKES; LIQUID CHROMATOGRAPHY; MASS SPECTROMETRY; ODORS; PHOSPHORUS; SEDIMENTOLOGY; SEDIMENTS;

LAKE POLLUTION;

BIOCIDE; FRAGRANCE; PESTICIDE;

ATMOSPHERIC PRESSURE; DATA ACQUISITION; DRUG; IONIZATION; LACUSTRINE DEPOSIT; LIQUID CHROMATOGRAPHY; MASS SPECTROMETRY; PHOTOCHEMISTRY; PHYSICOCHEMICAL PROPERTY; SEDIMENT CORE; SEDIMENT POLLUTION;

ACCURACY; ANALYSIS; ARTICLE; ATMOSPHERIC PRESSURE PHOTOIONIZATION; ELECTROSPRAY MASS SPECTROMETRY; FREEZE DRYING; LAKE SEDIMENT; LIMIT OF DETECTION; LIMIT OF QUANTITATION; LIQUID CHROMATOGRAPHY; LIQUID LIQUID EXTRACTION; PHYSICAL CHEMISTRY; SWITZERLAND;

ATMOSPHERIC PRESSURE; CHROMATOGRAPHY, LIQUID; ENVIRONMENTAL MONITORING; GEOLOGIC SEDIMENTS; LAKES; LIMIT OF DETECTION; LIQUID-LIQUID EXTRACTION; SPECTROMETRY, MASS, ELECTROSPRAY IONIZATION; TANDEM MASS SPECTROMETRY; WATER POLLUTANTS, CHEMICAL;

GREIFENSEE; SWITZERLAND; ZURICH [SWITZERLAND];

EID: 84872590475     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es303888v     Document Type: Article

References (61)

1. Schwarzenbach, R. P.; Escher, B. I.; Fenner, K.; Hofstetter, T. B.; Johnson, C. A.; von Gunten, U.; Wehrli, B. The challenge of micropollutants in aquatic systems Science 2006, 313 (5790) 1072-1077
2. Knezovich, J. P.; Harrison, F. L. The bioavailability of sediment-sorbed organic chemicals: A review Water, Air, Soil Pollut. 1987, 32, 233-245
3. Zennegg, M.; Kohler, M.; Hartmann, P. C.; Sturm, M.; Guier, E.; Schmid, P.; Gerecke, A. C.; Heeb, N. V.; Kohler, H. P. E.; Giger, W. The historical record of PCB and PCDD/F deposition at Greifensee, a lake of the Swiss plateau, between 1848 and 1999 Chemosphere 2007, 67 (9) 1754-1761
4. Kohler, M.; Zennegg, M.; Bogdal, C; Gerecke, A. C.; Schmid, P.; Heeb, N. V.; Sturm, M.; Vonmont, H.; Kohler, H.-P. E.; Giger, W. Temporal trends, congener patterns, and sources of octa-, nona-, and decabromodiphenyl ethers (PBDE) and hexabromocyclododecanes (HBCD) in Swiss lake sediments Environ. Sci. Technol. 2008, 42, 6378-6384
5. Lara-Martin, P. A.; Petrovic, M.; Gomez-Parra, A.; Barcelo, D.; Gonzalez-Mazo, E. Presence of surfactants and their degradation intermediates in sediment cores and grabs from the Cadiz Bay area Environ. Pollut. 2006, 144 (2) 483-491
6. Kim, S. C.; Carlson, K. Temporal and spatial trends in the occurrence of human and veterinary antibiotics in aqueous and river sediment matrices Environ. Sci. Technol. 2007, 41 (1) 50-57
7. Cai, Y.; Kingery, D.; McConnell, O.; Bach, A. C., II Advantages of atmospheric pressure photoionization mass spectrometry in support of drug discovery Rapid Commun. Mass Spectrom. 2005, 19 (12) 1717-1724
8. Yang, C.; Henion, J. Atmospheric pressure photoionization liquid chromatographic-mass spectrometric determination of idoxifene and its metabolites in human plasma J. Chromatogr. A 2002, 970 (1-2) 155-165
9. Luosujärvi, L.; Karikko, M.-M.; Haapala, M.; Saarela, V.; Huhtala, S.; Franssila, S.; Kostiainen, R.; Kotiaho, T.; Kauppila, T. J. Gas chromatography/mass spectrometry of polychlorinated biphenyls using atmospheric pressure chemical ionization and atmospheric pressure photoionization microchips Rapid Commun. Mass Spectrom. 2008, 22 (4) 425-431
10. Cai, S.-S.; Syage, J. A.; Hanold, K. A.; Balogh, M. P. Ultra performance liquid chromatography-atmospheric pressure photoionization-tandem mass spectrometry for high-sensitivity and high-throughput analysis of U.S. environmental protection agency 16 priority pollutants polynuclear aromatic hydrocarbons Anal. Chem. 2009, 81 (6) 2123-2128
11. Takino, M.; Daishima, S.; Nakahara, T. Determination of perfluorooctane sulfonate in river water by liquid chromatography/atmospheric pressure photoionization mass spectrometry by automated on-line extraction using turbulent flow chromatography Rapid Commun. Mass Spectrom. 2003, 17 (5) 383-390
12. Song, L.; Wellman, A. D.; Yao, H.; Adcock, J. Electron capture atmospheric pressure photoionization mass spectrometry: Analysis of fullerenes, perfluorinated compounds, and pentafluorobenzyl derivatives Rapid Commun. Mass Spectrom. 2007, 21 (8) 1343-1351
13. Ceglarek, U.; Kortz, L.; Leichtle, A.; Fiedler, G. M.; Kratzsch, J.; Thiery, J. Rapid quantification of steroid patterns in human serum by on-line solid phase extraction combined with liquid chromatography-triple quadrupole linear ion trap mass spectrometry Clin. Chim. Acta 2009, 401 (1-2) 114-118
14. Yamamoto, A.; Kakutani, N.; Yamamoto, K.; Kamiura, T.; Miyakoda, H. Steroid hormone profiles of urban and tidal rivers using LC/MS/MS equipped with electrospray ionization and atmospheric pressure photoionization sources Environ. Sci. Technol. 2006, 40 (13) 4132-4137
15. Krauss, M.; Singer, H.; Hollender, J. LC-high resolution MS in environmental analysis: From target screening to the identification of unknowns Anal. Bioanal. Chem. 2010, 397 (3) 943-951
16. Hernández, F.; Sancho, J. V.; Ibáñez, M.; Abad, E.; Portolés, T.; Mattioli, L. Current use of high-resolution mass spectrometry in the environmental sciences Anal. Bioanal. Chem. 2012, 403 (5) 1251-1264
17. Ebina, J.; Tsutsui, T.; Shirai, T. Simultaneous determination of total nitrogen and total phosphorus in water using peroxodisulfate oxidation Water Res. 1983, 17 (12) 1721-1726
18. Singer, H.; Müller, S.; Tixier, C.; Pillonel, L. Triclosan: Occurrence and fate of a widely used biocide in the aquatic environment: Field measurements in wastewater treatment plants, surface waters, and lake sediments Environ. Sci. Technol. 2002, 36 (23) 4998-5004
19. Anastassiades, M.; Lehotay, S. J.; Stajnbaher, D.; Schenck, F. J. Fast and easy multiresidue method employing acetonitrile extraction/partitioning and dispersive solid-phase extraction for the determination of pesticide residues in produce J. AOAC Int. 2003, 86 (2) 412-431
20. Kvíčalová, M.; Doubravová, P.; Jobánek, R.; Jokešová, M.; Očenáš ková, V.; Süssenbeková, H.; Svobodová, A. Application of different extraction methods for the determination of selected pesticide residues in sediments Bull. Environ. Contam. Toxicol. 2012, 1-6
21. Salvia, M. V.; Vulliet, E.; Wiest, L.; Baudot, R.; Cren-Olivé, C. Development of a multi-residue method using acetonitrile-based extraction followed by liquid chromatography-tandem mass spectrometry for the analysis of steroids and veterinary and human drugs at trace levels in soil J. Chromatogr. A 2012, 1245, 122-133
22. Kern, S.; Fenner, K.; Singer, H. P.; Schwarzenbach, R. P.; Hollender, J. Identification of transformation products of organic contaminants in natural waters by computer-aided prediction and high-resolution mass spectrometry Environ. Sci. Technol. 2009, 43 (18) 7039-7046
23. Hunter, E. P. L.; Lias, S. G. Evaluated gas phase basicities and proton affinities of molecules: An update J. Phys. Chem. Ref. Data 1998, 27 (3) 413-656
24. Granovsky, A. A. Firefly version 7.1.G; 2012. Available online: http://classic.chem.msu.su/gran/firefly/index.html (accessed Sept. 14, 2012).
25. Schmidt, J. R.; Polik, W. F., WebMO 12.001.04; WebMO, LLC: Holland, MI, 2012. Available online: http://www.webmo.net (accessed Sept. 14, 2012).
26. Nakata, H.; Murata, S.; Filatreau, J. Occurrence and concentrations of benzotriazole UV stabilizers in marine organisms and sediments from the Ariake Sea, Japan Environ. Sci. Technol. 2009, 43 (18) 6920-6926
27. Löffler, D.; Ternes, T. A. Determination of acidic pharmaceuticals, antibiotics and ivermectin in river sediment using liquid chromatography-tandem mass spectrometry J. Chromatogr. A 2003, 1021 (1-2) 133-144
28. Ferrer, I.; Hennion, M.-C.; Barceló, D. Immunosorbents coupled on-line with liquid chromatography/atmospheric pressure chemical ionization/mass spectrometry for the part per trillion level determination of pesticides in sediments and natural waters using low preconcentration volumes Anal. Chem. 1997, 69 (22) 4508-4514
29. Reddy, C. M.; Quinn, J. G.; King, J. W. Free and bound benzotriazoles in marine and freshwater sediments Environ. Sci. Technol. 2000, 34 (6) 973-979
30. Peck, A. M.; Linebaugh, E. K.; Hornbuckle, K. C. Synthetic musk fragrances in Lake Erie and Lake Ontario sediment cores Environ. Sci. Technol. 2006, 40 (18) 5629-5635
31. Löffler, D.; Römbke, J.; Meller, M.; Ternes, T. A. Environmental fate of pharmaceuticals in water/sediment systems Environ. Sci. Technol. 2005, 39 (14) 5209-5218
32. Vazquez-Roig, P.; Segarra, R.; Blasco, C.; Andreu, V.; Picó, Y. Determination of pharmaceuticals in soils and sediments by pressurized liquid extraction and liquid chromatography tandem mass spectrometry J. Chromatogr. A 2010, 1217 (16) 2471-2483
33. Lazartigues, A.; Fratta, C.; Baudot, R.; Wiest, L.; Feidt, C.; Thomas, M.; Cren-Olivé, C. Multiresidue method for the determination of 13 pesticides in three environmental matrices: water, sediments, and fish muscle Talanta 2011, 85 (3) 1500-1507
34. Peck, A. M.; Hornbuckle, K. C. Synthetic musk fragrances in Lake Michigan Environ. Sci. Technol. 2003, 38 (2) 367-372
35. Zeng, X.; Mai, B.; Sheng, G.; Luo, X.; Shao, W.; An, T.; Fu, J. Distribution of polycyclic musks in surface sediments from the Pearl River Delta and Macao coastal region, South China Environ. Toxicol. Chem. 2008, 27 (1) 18-23
36. Kostiainen, R.; Kauppila, T. J. Effect of eluent on the ionization process in liquid chromatography-mass spectrometry J Chromatogr A 2009, 1216 (4) 685-699
37. Robb, D. B.; Blades, M. W. Effects of solvent flow, dopant flow, and lamp current on dopant-assisted atmospheric pressure photoionization (DA-APPI) for LC-MS. Ionizationvia proton transfer J. Am. Soc. Mass Spectrom. 2005, 16 (8) 1275-1290
38. Robb, D. B.; Blades, M. W. State-of-the-art in atmospheric pressure photoionization for LC/MS Anal. Chim. Acta 2008, 627 (1) 34-49
39. Itoh, N.; Aoyagi, Y.; Yarita, T. Optimization of the dopant for the trace determination of polycyclic aromatic hydrocarbons by liquid chromatography/dopant-assisted atmospheric-pressure photoionization/mass spectrometry J. Chromatogr. A 2006, 1131 (1-2) 285-288
40. Simonich, S. L.; Begley, W. M.; Debaere, G.; Eckhoff, W. S. Trace analysis of fragrance materials in wastewater and treated wastewater Environ. Sci. Technol. 2000, 34 (6) 959-965
41. Simonich, S. L.; Federle, T. W.; Eckhoff, W. S.; Rottiers, A.; Webb, S.; Sabaliunas, D.; de Wolf, W. Removal of fragrance materials during U.S. and European wastewater treatment Environ. Sci. Technol. 2002, 36 (13) 2839-2847
42. Bester, K. Analysis of musk fragrances in environmental samples J. Chromatogr. A 2009, 1216 (3) 470-480
43. Fromme, H.; Otto, T.; Pilz, K. Polycyclic musk fragrances in different environmental compartments in Berlin (Germany) Water Res. 2001, 35 (1) 121-128
44. Reddy, C. M.; Quinn, J. G. Environmental chemistry of benzothiazoles derived from rubber Environ. Sci. Technol. 1997, 31 (10) 2847-2853
45. Nakata, H.; Sasaki, H.; Takemura, A.; Yoshioka, M.; Tanabe, S.; Kannan, K. Bioaccumulation, temporal trend, and geographical distribution of synthetic musks in the marine environment Environ. Sci. Technol. 2007, 41 (7) 2216-2222
46. 3, and piperidine Chem. Phys. Lett. 1988, 144 (4) 317-323
47. Buerge, I. J.; Poiger, T.; Müller, M. D.; Buser, H.-R. Combined sewer overflows to surface waters detected by the anthropogenic marker caffeine Environ. Sci. Technol. 2006, 40 (13) 4096-4102
48. Wittmer, I. K.; Bader, H. P.; Scheidegger, R.; Singer, H.; Lück, A.; Hanke, I.; Carlsson, C.; Stamm, C. Significance of urban and agricultural land use for biocide and pesticide dynamics in surface waters Water Res. 2010, 44 (9) 2850-2862
49. Tóth, S.; Becker-van Slooten, K.; Spack, L.; De Alencastro, L. F.; Tarradellas, J. Irgarol 1051, an antifouling compound in freshwater, sediment, and biota of Lake Geneva Bull. Environ. Contam. Toxicol. 1996, 57 (3) 426-433
50. Nyström, B.; Becker-Van Slooten, K.; Bérard, A.; Grandjean, D.; Druart, J. C.; Leboulanger, C. Toxic effects of Irgarol 1051 on phytoplankton and macrophytes in Lake Geneva Water Res. 2002, 36 (8) 2020-2028
51. Kahle, M.; Buerge, I. J.; Hauser, A.; Müller, M. D.; Poiger, T. Azole fungicides: Occurrence and fate in wastewater and surface waters Environ. Sci. Technol. 2008, 42 (19) 7193-7200
52. Virtual Computational Chemistry Laboratory (VCCLAB); http://www.vcclab. org (accessed 2005).
53. Giger, W.; Schaffner, C.; Kohler, H.-P. E. Benzotriazole and tolyltriazole as aquatic contaminants. 1. Input and occurrence in Rivers and Lakes Environ. Sci. Technol. 2006, 40 (23) 7186-7192
54. Schwarzenbach, R. P.; Gschwend, P. M.; Imboden, D. M. Environmental Organic Chemistry, 2nd edition ed.; John Wiley & Sons: Hoboken, NJ, 2003.
55. U.S. EPA. Estimation Programs Interface Suite for Microsoft Windows, v 4.10; United States Environmental Protection Agency: Washington, DC, 2011.
56. Botenschuetz, A. F.; Buettner, U.; Jostan, J. L.; Marten, A.; Merk, H. Analysis of edge-protecting deposits containing benzotriazole and etching media for printed circuit manufacture Galvanotechnik 1978, 69 (12) 1076-1082
57. Li, X.; Brownawell, B. J. Analysis of quaternary ammonium compounds in estuarine sediments by LC-ToF-MS: Very high positive mass defects of alkylamine ions as powerful diagnostic tools for identification and structural elucidation Anal. Chem. 2009, 81 (19) 7926-7935
58. Miller, T. R.; Heidler, J.; Chillrud, S. N.; DeLaquil, A.; Ritchie, J. C.; Mihalic, J. N.; Bopp, R.; Halden, R. U. Fate of triclosan and evidence for reductive dechlorination of triclocarban in estuarine sediments Environ. Sci. Technol. 2008, 42 (12) 4570-4576
59. Lindström, A.; Buerge, I. J.; Poiger, T.; Bergqvist, P.-A.; Müller, M. D.; Buser, H.-R. Occurrence and environmental behavior of the bactericide triclosan and its methyl derivative in surface waters and in wastewater Environ. Sci. Technol. 2002, 36 (11) 2322-2329
60. EPA, TCC Consortium. High Production Vol. (HPV) Chemical Challenge Program Data Availability and Screening Level Assessment for Triclocarban. In Report 201-14186A; EPA: Washington, DC, 2002. Available online: http://www.epa.gov/hpv/pubs/summaries/tricloca/c14186tp.pdf.
61. Sapkota, A.; Heidler, J.; Halden, R. U. Detection of triclocarban and two co-contaminating chlorocarbanilides in US aquatic environments using isotope dilution liquid chromatography tandem mass spectrometry Environ. Res. 2007, 103 (1) 21-29