Abstract
Knowledge of pollutants’ occurrence in the environment is essential in order to undertake accurate risk assessment studies. Determining the concentration of chemicals is a crucial step to quantify the levels to which both ecosystems and human population can be exposed. Traditionally, analysis has been the main way for determining concentrations in the environment but in recent years innovative occurrence models enabling their prediction either in real or fictitious scenarios have been developed. These models allow obtaining reliable estimations by reducing the need of resource-intensive monitoring programs that are needed for laboratory analysis.
Prediction of chemical occurrence is a difficult task that depends on multitude of factors (i.e., physical–chemical properties, climate conditions, amount of product, mode of application, and exchange processes), but these models in combination with laboratory analysis can be a powerful tool for evaluating the chemical occurrence in the environment.
In this chapter the new trends in analytical chemistry for determining classical and emerging pollutants, as well as the use of predictive exposure models have been reviewed and their respective benefits and shortcomings have been briefly discussed.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Abbreviations
- CNT:
-
Carbon nanotubes
- DBPs:
-
Disinfection by-products
- EINECS:
-
The European inventory of existing commercial chemical substances
- GC:
-
Gas chromatography
- GCxGC:
-
Two-dimensional gas chromatography
- GIS:
-
Geographic information system
- IDA:
-
Information-dependent acquisition
- KOC:
-
Organic carbon partition coefficient
- KOW:
-
Octanol-water partition coefficient
- LC:
-
Liquid chromatography
- LOD:
-
Limit of detection
- MAE:
-
Microwave-assisted extraction
- MEC:
-
Measured environmental concentration
- MS:
-
Mass spectrometry
- MS/MS:
-
Tandem mass spectrometry
- PAHs:
-
Polyaromatic hydrocarbons
- PCBs:
-
Polychlorinated biphenyls
- PEC:
-
Predicted environmental concentration
- PFCs:
-
Perfluorinated compounds
- POCIS:
-
Oolar organic chemical integrative samplers
- QqLIT:
-
Hybrid quadrupole linear ion trap
- QqTOF:
-
Hybrid quadrupole time-of-flight
- QSAR:
-
Quantitative structure–activity relationship
- REACH:
-
Registration, evaluation, and authorization of chemicals
- SFE:
-
Supercritical fluid extraction
- SPME:
-
Solid phase micro extraction
- SRM:
-
Selected reaction monitoring
- ToF:
-
Time-of-flight
- TWA:
-
Time-weighted average
- UPLC:
-
Ultra high performance liquid chromatography
- UV:
-
Ultraviolet
References
Schwarzenbach RP, Escher BI, Fenner K, Hofstetter TB, Johnson CA, von Gunten U, Wehrli B (2006) The challenge of micropollutants in aquatic systems. Science 313(5790):1072–1077
Regulation EC 1907/2006 (2006) Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH). European Commission
van Leeuwen CJ, Vermeire TG (2007) Risk assessment of chemicals: an introduction, 2nd edn., XXXII. Springer, Berlin, 688 p
Arnot JA, Mackay D (2008) Policies for chemical hazard and risk priority setting: can persistence, bioaccumulation, toxicity, and quantity information be combined? Environ Sci Technol 42(13):4648–4654
Kumar A, Xagoraraki I (2010) Pharmaceuticals, personal care products and endocrine-disrupting chemicals in U.S. surface and finished drinking waters: a proposed ranking system. Sci Total Environ 408(23):5972–5989
Van Leeuwen CJ, Hermans JLM (1995) Risk assessment of chemicals: an introduction. Kluwer Academic, Dordrecht
Guillén D, Ginebreda A, Ml F, Darbra RM, Petrovic M, Gros M, Barceló D (2012) Prioritization of chemicals in the aquatic environment based on risk assessment: analytical, modeling and regulatory perspective. Sci Total Environ. doi:10.1016/j.scitotenv.2012.06.064
Health IfEa (1999) Risk assessment approaches used by UK government for evaluating Human Health Effects of Chemicals. Risk Assessment, Toxicology Steering Committee (RATSC)
Bound JP, Voulvoulis N (2006) Predicted and measured concentrations for selected pharmaceuticals in UK rivers: implications for risk assessment. Water Res 40(15):2885–2892
Coetsier CM, Spinelli S, Lin L, Roig B, Touraud E (2009) Discharge of pharmaceutical products (PPs) through a conventional biological sewage treatment plant: MECs vs PECs? Environ Int 35(5):787–792
Johnson AC, Ternes T, Williams RJ, Sumpter JP (2008) Assessing the concentrations of polar organic microcontaminants from point sources in the aquatic environment: measure or model? Environ Sci Technol 42(15):5390–5399
El-Shahawi MS, Hamza A, Bashammakh AS, Al-Saggaf WT (2010) An overview on the accumulation, distribution, transformations, toxicity and analytical methods for the monitoring of persistent organic pollutants. Talanta 80(5):1587–1597
Konieczka P, Wolska L, Namieśnik J (2010) Quality problems in determination of organic compounds in environmental samples, such as PAHs and PCBs. TrAC, Trends Anal Chem 29(7):706–717
Navarro-Ortega A, Tauler R, Lacorte S, Barceló D (2010) Occurrence and transport of PAHs, pesticides and alkylphenols in sediment samples along the Ebro River Basin. J Hydrol 383(1–2):5–17
de Carvalho Oliveira R, Santelli RE (2010) Occurrence and chemical speciation analysis of organotin compounds in the environment: a review. Talanta 82(1):9–24
Vega Morales T, Torres Padrón ME, Sosa Ferrera Z, Santana Rodríguez JJ (2009) Determination of alkylphenol ethoxylates and their degradation products in liquid and solid samples. TrAC, Trends Anal Chem 28(10):1186–1200
Covaci A, Harrad S, Abdallah MAE, Ali N, Law RJ, Herzke D, de Wit CA (2011) Novel brominated flame retardants: a review of their analysis, environmental fate and behaviour. Environ Int 37(2):532–556
Covaci A, Voorspoels S, Abdallah MA-E, Geens T, Harrad S, Law RJ (2009) Analytical and environmental aspects of the flame retardant tetrabromobisphenol-A and its derivatives. J Chromatogr A 1216(3):346–363
López-Serna R, Pérez S, Ginebreda A, Petrović M, Barceló D (2010) Fully automated determination of 74 pharmaceuticals in environmental and waste waters by online solid phase extraction–liquid chromatography-electrospray–tandem mass spectrometry. Talanta 83(2):410–424
da Silva BF, Jelic A, López-Serna R, Mozeto AA, Petrovic M, Barceló D (2011) Occurrence and distribution of pharmaceuticals in surface water, suspended solids and sediments of the Ebro river basin, Spain. Chemosphere 85(8):1331–1339
Rosa Boleda M, Huerta-Fontela M, Ventura F, Galceran MT (2011) Evaluation of the presence of drugs of abuse in tap waters. Chemosphere 84(11):1601–1607
Postigo C, López de Alda MJ, Barceló D (2010) Drugs of abuse and their metabolites in the Ebro river basin: occurrence in sewage and surface water, sewage treatment plants removal efficiency, and collective drug usage estimation. Environ Int 36(1):75–84
Llorca M, Farré M, Picó Y, Barceló D (2011) Analysis of perfluorinated compounds in sewage sludge by pressurized solvent extraction followed by liquid chromatography–mass spectrometry. J Chromatogr A 1218(30):4840–4846
Wille K, Vanden Bussche J, Noppe H, De Wulf E, Van Caeter P, Janssen CR, De Brabander HF, Vanhaecke L (2010) A validated analytical method for the determination of perfluorinated compounds in surface-, sea- and sewagewater using liquid chromatography coupled to time-of-flight mass spectrometry. J Chromatogr A 1217(43):6616–6622
Köck-Schulmeyer M, Ginebreda A, González S, Cortina JL, de Alda ML, Barceló D (2012) Analysis of the occurrence and risk assessment of polar pesticides in the Llobregat River Basin (NE Spain). Chemosphere 86(1):8–16
Villaverde J, Hildebrandt A, Martínez E, Lacorte S, Morillo E, Maqueda C, Viana P, Barceló D (2008) Priority pesticides and their degradation products in river sediments from Portugal. Sci Total Environ 390(2–3):507–513
García-Valcárcel AI, Tadeo JL (2009) A combination of ultrasonic assisted extraction with LC–MS/MS for the determination of organophosphorus pesticides in sludge. Anal Chim Acta 641(1–2):117–123
Farré M, Pérez S, Gajda-Schrantz K, Osorio V, Kantiani L, Ginebreda A, Barceló D (2010) First determination of C60 and C70 fullerenes and N-methylfulleropyrrolidine C60 on the suspended material of wastewater effluents by liquid chromatography hybrid quadrupole linear ion trap tandem mass spectrometry. J Hydrol 383(1–2):44–51
Rodil R, Moeder M (2008) Development of a method for the determination of UV filters in water samples using stir bar sorptive extraction and thermal desorption–gas chromatography–mass spectrometry. J Chromatogr A 1179(2):81–88
Gago-Ferrero P, Díaz-Cruz MS, Barceló D (2011) Occurrence of multiclass UV filters in treated sewage sludge from wastewater treatment plants. Chemosphere 84(8):1158–1165
Pedrouzo M, Borrull F, Marcé RM, Pocurull E (2009) Ultra-high-performance liquid chromatography–tandem mass spectrometry for determining the presence of eleven personal care products in surface and wastewaters. J Chromatogr A 1216(42):6994–7000
González S, Petrovic M, Barceló D (2004) Simultaneous extraction and fate of linear alkylbenzene sulfonates, coconut diethanol amides, nonylphenol ethoxylates and their degradation products in wastewater treatment plants, receiving coastal waters and sediments in the Catalonian area (NE Spain). J Chromatogr A 1052(1–2):111–120
Eichhorn P, López Ó, Barceló D (2005) Application of liquid chromatography-electrospray-tandem mass spectrometry for the identification and characterisation of linear alkylbenzene sulfonates and sulfophenyl carboxylates in sludge-amended soils. J Chromatogr A 1067:171–179
Eljarrat E, De La Cal A, Larrazabal D, Fabrellas B, Fernandez-Alba AR, Borrull F, Marce RM, Barcelo D (2005) Occurrence of polybrominated diphenylethers, polychlorinated dibenzo-p-dioxins, dibenzofurans and biphenyls in coastal sediments from Spain. Environ Pollut 136(3):493–501
Kuster M, Azevedo DA, López de Alda MJ, Aquino Neto FR, Barceló D (2009) Analysis of phytoestrogens, progestogens and estrogens in environmental waters from Rio de Janeiro (Brazil). Environ Int 35(7):997–1003
Matějíček D, Houserová P, Kubáň V (2007) Combined isolation and purification procedures prior to the high-performance liquid chromatographic–ion-trap tandem mass spectrometric determination of estrogens and their conjugates in river sediments. J Chromatogr A 1171(1–2):80–89
Richardson SD, Ternes TA (2011) Water analysis: emerging contaminants and current issues. Anal Chem 83(12):4614–4648
Togola A, Budzinski H (2007) Development of polar organic integrative samplers for analysis of pharmaceuticals in aquatic systems. Anal Chem 79(17):6734–6741
Parkinson D-R, Dust JM (2010) Overview of the current status of sediment chemical analysis: trends in analytical techniques. Environ Rev 18(NA):37–59
Snow DD, Bartelt-Hunt SL, Devivo S, Saunders S, Cassada DA (2009) Detection, occurrence, and fate of emerging contaminants in agricultural environments. Water Environ Res 81(10):941–958
Petrovic M, Farré M, de Alda ML, Perez S, Postigo C, Köck M, Radjenovic J, Gros M, Barcelo D (2010) Recent trends in the liquid chromatography–mass spectrometry analysis of organic contaminants in environmental samples. J Chromatogr A 1217(25):4004–4017
Farré M, Pérez S, Gonçalves C, Alpendurada MF, Barceló D (2010) Green analytical chemistry in the determination of organic pollutants in the aquatic environment. TrAC, Trends Anal Chem 29(11):1347–1362
Mueller NC, Nowack B (2008) Exposure modeling of engineered nanoparticles in the environment. Environ Sci Technol 42(12):4447–4453
Gottschalk F, Sonderer T, Scholz RW, Nowack B (2009) Modeled environmental concentrations of engineered nanomaterials (TiO2, ZnO, Ag, CNT, Fullerenes) for different regions. Environ Sci Technol 43(24):9216–9222
Carballa M, Omil F, Lema JM (2008) Comparison of predicted and measured concentrations of selected pharmaceuticals, fragrances and hormones in Spanish sewage. Chemosphere 72(8):1118–1123
Stuer-Lauridsen F, Birkved M, Hansen LP, Lutzhoft HCH, Halling-Sorensen B (2000) Environmental risk assessment of human pharmaceuticals in Denmark after normal therapeutic use. Chemosphere 40(7):783–793
Domènech X, Peral J, Muñoz I (2009) Predicted environmental concentrations of cocaine and benzoylecgonine in a model environmental system. Water Res 43(20):5236–5242
Bou Kheir R, Greve MH, Abdallah C, Dalgaard T (2010) Spatial soil zinc content distribution from terrain parameters: a GIS-based decision-tree model in Lebanon. Environ Pollut 158(2):520–528
Wind T, Werner U, Jacob M, Hauk A (2004) Environmental concentrations of boron, LAS, EDTA, NTA and Triclosan simulated with GREAT-ER in the river Itter. Chemosphere 54(8):1145–1154
Schowanek D, Webb S (2002) Exposure simulation for pharmaceuticals in European surface waters with GREAT-ER. Toxicol Lett 131(1–2):39–50
Sabaliunas D, Webb SF, Hauk A, Jacob M, Eckhoff WS (2003) Environmental fate of Triclosan in the River Aire Basin, UK. Water Res 37(13):3145–3154
Pistocchi A, Vizcaino P, Hauck M (2009) A GIS model-based screening of potential contamination of soil and water by pyrethroids in Europe. J Environ Manage 90(11):3410–3421
Verro R, Calliera M, Maffioli G, Auteri D, Sala S, Finizio A, Vighi M (2002) GIS-based system for surface water risk assessment of agricultural chemicals. 1. Methodological approach. Environ Sci Technol 36(7):1532–1538
Price OR, Williams RJ, Zhang Z, van Egmond R (2010) Modelling concentrations of decamethylcyclopentasiloxane in two UK rivers using LF2000-WQX. Environ Pollut 158(2):356–360
Rabølle M, Spliid NH (2000) Sorption and mobility of metronidazole, olaquindox, oxytetracycline and tylosin in soil. Chemosphere 40(7):715–722
Spark KM, Swift RS (2002) Effect of soil composition and dissolved organic matter on pesticide sorption. Sci Total Environ 298(1–3):147–161
Montzka C, Canty M, Kreins P, Kunkel R, Menz G, Vereecken H, Wendland F (2008) Multispectral remotely sensed data in modelling the annual variability of nitrate concentrations in the leachate. Environ Modell Softw 23(8):1070–1081
Vijayaraghavan K, Snell HE, Seigneur C (2008) Practical aspects of using satellite data in air quality modeling. Environ Sci Technol 42(22):8187–8192
Farré M, Gajda-Schrantz K, Kantiani L, Barceló D (2009) Ecotoxicity and analysis of nanomaterials in the aquatic environment. Anal Bioanal Chem 393(1):81–95
Author information
Authors and Affiliations
Corresponding author
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2012 Springer-Verlag Berlin Heidelberg
About this chapter
Cite this chapter
Guillén, D., Ginebreda, A., Darbra, R.M., Gros, M., Petrovic, M., Barceló, D. (2012). Characterization of Environmental Exposure: Measuring Versus Modeling. In: Bilitewski, B., Darbra, R., Barceló, D. (eds) Global Risk-Based Management of Chemical Additives II. The Handbook of Environmental Chemistry, vol 23. Springer, Berlin, Heidelberg. https://doi.org/10.1007/698_2012_190
Download citation
DOI: https://doi.org/10.1007/698_2012_190
Published:
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-642-34571-5
Online ISBN: 978-3-642-34572-2
eBook Packages: Earth and Environmental ScienceEarth and Environmental Science (R0)