1 Mass spectrometric strategies for the investigation of biomarkers of 1 illicit drug use in wastewater 2 3 4 Félix Hernández 1* , Sara Castiglioni 2 , Adrian Covaci 3 , Pim de Voogt 4,5 , Erik Emke 4 , Barbara 5 Kasprzyk-Hordern 6 , Christoph Ort 7 , Malcolm Reid 8 , Juan Vicente Sancho 1 , Kevin V. 6 Thomas 8 , Alexander L.N. van Nuijs 3 , Ettore Zuccato 2 , Lubertus Bijlsma 1 7 8 1 Research Institute for Pesticides and Water, University Jaume I, Castellón 9 2 Department of Environmental Health Sciences, IRCCS - Istituto di Ricerche 10 Farmacologiche Mario Negri, Milan, Italy. 11 3 Toxicological Center, University of Antwerp, Antwerp, Belgium 12 4 KWR Watercycle Research Institute, Nieuwegein, the Netherlands 13 5 IBED- University of Amsterdam, Amsterdam, the Netherlands 14 6 Department of Chemistry, University of Bath, Bath, United Kingdom 15 7 Swiss Federal Institute of Aquatic Science and Technology (Eawag), Dübendorf, 16 Switzerland 17 8 Norwegian Institute for Water Research (NIVA), Oslo, Norway 18 19 20 Running head: MS strategies for investigating illicit drugs in wastewater 21 22 23 * Author for correspondence: 24 Prof. Dr. Félix Hernández 25 Research Institute for Pesticides and Water, University Jaume I 26 Avda. Sos Baynat s/n 27 E-12071 Castellón, Spain 28 e-mail: [email protected]29 tel: +34 964 387366 30 31 brought to you by CORE View metadata, citation and similar papers at core.ac.uk provided by Repositori Institucional de la Universitat Jaume I
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4 FélixHernández1*,SaraCastiglioni2,AdrianCovaci3,PimdeVoogt4,5,ErikEmke4,Barbara5 Kasprzyk-Hordern6, Christoph Ort7, Malcolm Reid8, Juan Vicente Sancho1, Kevin V.6 Thomas8,AlexanderL.N.vanNuijs3,EttoreZuccato2,LubertusBijlsma17 8
1ResearchInstituteforPesticidesandWater,UniversityJaumeI,Castellón9 2Department of Environmental Health Sciences, IRCCS - Istituto di Ricerche10
FarmacologicheMarioNegri,Milan,Italy.11 3ToxicologicalCenter,UniversityofAntwerp,Antwerp,Belgium12 4KWRWatercycleResearchInstitute,Nieuwegein,theNetherlands13 5IBED-UniversityofAmsterdam,Amsterdam,theNetherlands14 6DepartmentofChemistry,UniversityofBath,Bath,UnitedKingdom15 7Swiss Federal Institute of Aquatic Science and Technology (Eawag), Dübendorf,16
totaloflaboratoriesthatusedLRMSanddeterminetheIBD.478 b Numberof laboratories that selected theSRM transition (q) for confirmation/ the479
totaloflaboratoriesthatselectedthesameQ-transition(seealsoa)480 481 Note: More-detailed information regarding the analytical procedures can be found482 elsewhere:(Andrés-Costaetal.,2014;Bersetetal.,2010;Bijlsmaetal.,2014a;Borova483 et al., 2014; Castiglioni et al., 2006; Castrignanò et al., 2016; Devault et al., 2014;484 Fedorovaet al., 2013;Kankaanpääet al., 2014;Karolaket al., 2010; Lai et al., 2011;485 Postigoetal.,2008;Sentaetal.,2013;Tscharkeetal.,2015;vanNuijsetal.,2009).Itis486 noteworthythatnotallanalyticalmethodologiesusedduringthemonitoringcampaign487 werepublished.488 489
Alechaga, É., Moyano, E., Galceran, M.T., 2015. Wide-range screening of psychoactive 1270 substances by FIA–HRMS: identification strategies. Anal. Bioanal. Chem. 407, 1271 4567–4580. doi:10.1007/s00216-015-8649-7 1272
Andrés-Costa, M.J., Rubio-López, N., Morales Suárez-Varela, M., Pico, Y., 2014. 1273 Occurrence and removal of drugs of abuse in Wastewater Treatment Plants of 1274 Valencia (Spain). Environ. Pollut. 194, 152–162. 1275 doi:10.1016/j.envpol.2014.07.019 1276
Asimakopoulos, A., Kannan, K., 2016. Neuropsychiatric pharmaceuticals and illicit 1277 drugs in wastewater treatment plants: A review. Environ. Chem. 13, 541–576. 1278 doi:http://dx.doi.org/10.1071/EN15202 1279
Bade, R., Bijlsma, L., Miller, T.H., Barron, L.P., Sancho, J.V., Hernández, F., 2015a. 1280 Suspect screening of large numbers of emerging contaminants in environmental 1281 waters using artificial neural networks for chromatographic retention time 1282 prediction and high resolution mass spectrometry data analysis. Sci. Total Environ. 1283 538, 934–941. doi:10.1016/j.scitotenv.2015.08.078 1284
Bade, R., Bijlsma, L., Sancho, J. V, Hernández, F., 2015b. Critical evaluation of a 1285 simple retention time predictor based on LogKow as a complementary tool in the 1286 identification of emerging contaminants in water. Talanta 139, 143–149. 1287 doi:10.1016/j.talanta.2015.02.055 1288
Bade, R., Rousis, N.I., Bijlsma, L., Gracia-Lor, E., Castiglioni, S., Sancho, J. V., 1289 Hernandez, F., 2015c. Screening of pharmaceuticals and illicit drugs in wastewater 1290 and surface waters of Spain and Italy by high resolution mass spectrometry using 1291 UHPLC-QTOF MS and LC-LTQ-Orbitrap MS. Anal. Bioanal. Chem. 407, 8979–1292 8988. doi:10.1007/s00216-015-9063-x 1293
Bagnall, J.P., Evans, S.E., Wort, M.T., Lubben, A.T., Kasprzyk-Hordern, B., 2012. 1294 Using chiral liquid chromatography quadrupole time-of-flight mass spectrometry 1295 for the analysis of pharmaceuticals and illicit drugs in surface and wastewater at 1296 the enantiomeric level. J. Chromatogr. A 1249, 115–129. 1297 doi:10.1016/j.chroma.2012.06.012 1298
Banta-Green, C., Field, J., 2011. City-wide drug testing using municipal wastewater. 1299 Significance 8, 70–74. doi:10.1111/j.1740-9713.2011.00489.x 1300
Banta-Green, C.J., Field, J.A., Chiaia, A.C., Sudakin, D.L., Power, L., De Montigny, L., 1301 2009. The spatial epidemiology of cocaine, methamphetamine and 3,4-1302 methylenedioxymethamphetamine (MDMA) use: A demonstration using a 1303 population measure of community drug load derived from municipal wastewater. 1304 Addiction 104, 1874–1880. doi:10.1111/j.1360-0443.2009.02678.x 1305
Barron, L.P., McEneff, G.L., 2016. Gradient liquid chromatographic retention time 1306 prediction for suspect screening applications: A critical assessment of a generalised 1307 artificial neural network-based approach across 10 multi-residue reversed-phase 1308 analytical methods. Talanta 147, 261–270. doi:10.1016/j.talanta.2015.09.065 1309
Bartelt-Hunt, S.L., Snow, D.D., Damon, T., Shockley, J., Hoagland, K., 2009. The 1310 occurrence of illicit and therapeutic pharmaceuticals in wastewater effluent and 1311 surface waters in Nebraska. Environ. Pollut. 157, 786–791. 1312 doi:10.1016/j.envpol.2008.11.025 1313
Baz-Lomba, J.A., Reid, M.J., Thomas, K. V., 2016. Target and suspect screening of 1314 psychoactive substances in sewage-based samples by UHPLC-QTOF. Anal. Chim. 1315 Acta 914, 81–90. doi:10.1016/j.aca.2016.01.056 1316
Berendsen, B.J.A., Wegh, R.S., Meijer, T., Nielen, M.W.F., 2015. The Assessment of 1317 Selectivity in Different Quadrupole-Orbitrap Mass Spectrometry Acquisition 1318
50
Modes. J. Am. Soc. Mass Spectrom. 26, 337–346. doi:10.1007/s13361-014-1021-x 1319 Berset, J.-D., Brenneisen, R., Mathieu, C., 2010. Analysis of llicit and illicit drugs in 1320
waste, surface and lake water samples using large volume direct injection high 1321 performance liquid chromatography--electrospray tandem mass spectrometry 1322 (HPLC-MS/MS). Chemosphere 81, 859–866. 1323 doi:10.1016/j.chemosphere.2010.08.011 1324
Bijlsma, L., Beltrán, E., Boix, C., Sancho, J. V., Hernández, F., 2014a. Improvements in 1325 analytical methodology for the determination of frequently consumed illicit drugs 1326 in urban wastewater. Anal. Bioanal. Chem. 406, 4261–4272. doi:10.1007/s00216-1327 014-7818-4 1328
Bijlsma, L., Boix, C., Niessen, W.M.A., Ibáñez, M., Sancho, J. V., Hernández, F., 1329 2013a. Investigation of degradation products of cocaine and benzoylecgonine in 1330 the aquatic environment. Sci. Total Environ. 443, 200–208. 1331 doi:10.1016/j.scitotenv.2012.11.006 1332
Bijlsma, L., Botero-Coy, A.M., Rincón, R.J., Peñuela, G.A., Hernández, F., 2016. 1333 Estimation of illicit drug use in the main cities of Colombia by means of urban 1334 wastewater analysis. Sci. Total Environ. 565, 984–993. 1335 doi:10.1016/j.scitotenv.2016.05.078 1336
Bijlsma, L., Emke, E., Hernández, F., De Voogt, P., 2013b. Performance of the linear 1337 ion trap Orbitrap mass analyzer for qualitative and quantitative analysis of drugs of 1338 abuse and relevant metabolites in sewage water. Anal. Chim. Acta 768, 102–110. 1339 doi:10.1016/j.aca.2013.01.010 1340
Bijlsma, L., Emke, E., Hernández, F., De Voogt, P., 2012. Investigation of drugs of 1341 abuse and relevant metabolites in Dutch sewage water by liquid chromatography 1342 coupled to high resolution mass spectrometry. Chemosphere 89, 1399–1406. 1343 doi:10.1016/j.chemosphere.2012.05.110 1344
Bijlsma, L., Sancho, J. V., Hernández, F., Niessen, W.M.A., 2011. Fragmentation 1345 pathways of drugs of abuse and their metabolites based on QTOF MS/MS and MS 1346 E accurate-mass spectra. J. Mass Spectrom. 46, 865–875. doi:10.1002/jms.1963 1347
Bijlsma, L., Sancho, J. V., Pitarch, E., Ibáñez, M., Hernández, F., 2009. Simultaneous 1348 ultra-high-pressure liquid chromatography-tandem mass spectrometry 1349 determination of amphetamine and amphetamine-like stimulants, cocaine and its 1350 metabolites, and a cannabis metabolite in surface water and urban wastewater. J. 1351 Chromatogr. A 1216, 3078–3089. doi:10.1016/j.chroma.2009.01.067 1352
Bijlsma, L., Serrano, R., Ferrer, C., Tormos, I., Hernández, F., 2014b. Occurrence and 1353 behavior of illicit drugs and metabolites in sewage water from the Spanish 1354 Mediterranean coast (Valencia region). Sci. Total Environ. 487, 703–709. 1355 doi:10.1016/j.scitotenv.2013.11.131 1356
Bisceglia, K.J., Roberts, A.L., Schantz, M.M., Lippa, K.A., 2010. Quantification of 1357 drugs of abuse in municipal wastewater via SPE and direct injection liquid 1358 chromatography mass spectrometry. Anal. Bioanal. Chem. 398, 2701–2712. 1359 doi:10.1007/s00216-010-4191-9 1360
Bletsou, A.A., Jeon, J., Hollender, J., Archontaki, E., Thomaidis, N.S., 2015. Targeted 1361 and non-targeted liquid chromatography-mass spectrometric workflows for 1362 identification of transformation products of emerging pollutants in the aquatic 1363 environment. TrAC Trends Anal. Chem. 66, 32–44. doi:10.1016/j.trac.2014.11.009 1364
Boix, C., Ibáñez, M., Bijlsma, L., Sancho, J. V., Hernández, F., 2014. Investigation of 1365 cannabis biomarkers and transformation products in waters by liquid 1366 chromatography coupled to time of flight and triple quadrupole mass spectrometry. 1367 Chemosphere 99, 64–71. doi:10.1016/j.chemosphere.2013.10.007 1368
51
Boix, C., Ibáñez, M., Sancho, J. V., Niessen, W.M.A., Hernández, F., 2013. 1369 Investigating the presence of omeprazole in waters by liquid chromatography 1370 coupled to low and high resolution mass spectrometry: Degradation experiments. J. 1371 Mass Spectrom. 48, 1091–1100. doi:10.1002/jms.3260 1372
Boix, C., Ibáñez, M., Sancho, J. V, Rambla, J., Aranda, J.L., Ballester, S., Hernández, 1373 F., 2015. Fast determination of 40 drugs in water using large volume direct 1374 injection liquid chromatography-tandem mass spectrometry. Talanta 131, 719–727. 1375 doi:10.1016/j.talanta.2014.08.005 1376
Boleda, M.R., Galceran, M.T., Ventura, F., 2007. Trace determination of cannabinoids 1377 and opiates in wastewater and surface waters by ultra-performance liquid 1378 chromatography-tandem mass spectrometry. J. Chromatogr. A 1175, 38–48. 1379 doi:10.1016/j.chroma.2007.10.029 1380
Bones, J., Thomas, K. V, Paull, B., 2007. Using environmental analytical data to 1381 estimate levels of community consumption of illicit drugs and abused 1382 pharmaceuticals. J. Environ. Monit. 9, 701–707. doi:10.1039/b702799k 1383
Boogaerts, T., Covaci, A., Kinyua, J., Neels, H., van Nuijs, A.L.N., 2016. Spatial and 1384 temporal trends in alcohol consumption in Belgian cities: A wastewater-based 1385 approach. Drug Alcohol Depend. 160, 170–176. 1386 doi:10.1016/j.drugalcdep.2016.01.002 1387
Borova, V.L., Maragou, N.C., Gago-Ferrero, P., Pistos, C., Thomaidis, N.S., 2014. 1388 Highly sensitive determination of 68 psychoactive pharmaceuticals, illicit drugs, 1389 and related human metabolites in wastewater by liquid chromatography-tandem 1390 mass spectrometry. Anal. Bioanal. Chem. 406, 4273–4285. doi:10.1007/s00216-1391 014-7819-3 1392
Burgard, D.A., Fuller, R., Becker, B., Ferrell, R., Dinglasan-Panlilio, M., 2013. 1393 Potential trends in Attention Deficit Hyperactivity Disorder (ADHD) drug use on a 1394 college campus: Wastewater analysis of amphetamine and ritalinic acid. Sci. Total 1395 Environ. 450, 242–249. doi:10.1016/j.scitotenv.2013.02.020 1396
Camacho-Muñoz, D., Petrie, B., Castrignanò, E., Kasprzyk-Hordern, B., 2016. 1397 Enantiomeric Profiling of Chiral Pharmacologically Active Compounds in the 1398 Environment with the usage of chiral Liquid Chromatography Coupled with 1399 Tandem Mass Spectrometry. Curr. Anal. Chem. 12, 1–12. 1400 doi:10.2174/1573411012666151009195039 1401
Capel, P.D., Larson, S.J., 1996. Evaluation of selected information on splitting devices 1402 for water samples. U.S. Geol. Surv. Water-Resources Investig. Rep. 95–4141 1–1403 103. 1404
Castiglioni, S., Bijlsma, L., Covaci, A., Emke, E., Hernández, F., Reid, M., Ort, C., 1405 Thomas, K. V., Van Nuijs, A.L.N., De Voogt, P., Zuccato, E., 2013. Evaluation of 1406 uncertainties associated with the determination of community drug use through the 1407 measurement of sewage drug biomarkers. Environ. Sci. Technol. 47, 1452–1460. 1408 doi:10.1021/es302722f 1409
Castiglioni, S., Senta, I., Borsotti, A., Davoli, E., Zuccato, E., 2015. A novel approach 1410 for monitoring tobacco use in local communities by wastewater analysis. Tob. 1411 Control 24, 38–42. doi:10.1136/tobaccocontrol-2014-051553 1412
Castiglioni, S., Thomas, K. V., Kasprzyk-Hordern, B., Vandam, L., Griffiths, P., 2014. 1413 Testing wastewater to detect illicit drugs: State of the art, potential and research 1414 needs. Sci. Total Environ. 487, 613–620. doi:10.1016/j.scitotenv.2013.10.034 1415
Castiglioni, S., Zuccato, E., Chiabrando, C., Fanelli, R., Bagnati, R., 2008. Mass 1416 spectrometric analysis of illicit drugs in wastewater and surface water. Mass 1417 Spectrom. Rev. 27, 378–394. 1418
52
Castiglioni, S., Zuccato, E., Crisci, E., Chiabrando, C., Fanelli, R., Bagnati, R., 2006. 1419 Identification and measurement of illicit drugs and their metabolites in urban 1420 wastewater by liquid chromatography-tandem mass spectrometry. Anal. Chem. 78, 1421 8421–8429. doi:10.1021/ac061095b 1422
Castrignanò, E., Lubben, A., Kasprzyk-Hordern, B., 2016. Enantiomeric profiling of 1423 chiral drug biomarkers in wastewater with the usage of chiral liquid 1424 chromatography coupled with tandem mass spectrometry. J. Chromatogr. A 1438, 1425 84–99. doi:10.1016/j.chroma.2016.02.015 1426
Castro-Perez, J., Hoyes, J., Major, H., Preece, S., 2002. Advances in MS-based 1427 approaches for drug and metabolism studies. Chromatographia 55, S59–S63. 1428 doi:10.1007/BF02493354 1429
Chiaia, A.C., Banta-green, C., Field, J., 2008. Eliminating Solid Phase Extraction with 1430 Large-Volume Injection LC / MS / MS : Analysis of Illicit and Legal Drugs and 1431 Human Urine Indicators in US Wastewaters. Environ. Sci. Technol. I, 8841–8848. 1432 doi:10.1021/es802309v 1433
Chiaia-Hernandez, A.C., Schymanski, E.L., Kumar, P., Singer, H.P., Hollender, J., 1434 2014. Suspect and nontarget screening approaches to identify organic contaminant 1435 records in lake sediments. Anal. Bioanal. Chem. 406, 7323–7335. 1436 doi:10.1007/s00216-014-8166-0 1437
Coscollà, C., León, N., Pastor, A., Yusà, V., 2014. Combined target and post-run target 1438 strategy for a comprehensive analysis of pesticides in ambient air using liquid 1439 chromatography-Orbitrap high resolution mass spectrometry. J. Chromatogr. A 1440 1368, 132–142. doi:10.1016/j.chroma.2014.09.067 1441
Dasenaki, M.E., Bletsou, A.A., Koulis, G.A., Thomaidis, N.S., 2015. Qualitative 1445 multiresidue screening method for 143 veterinary drugs and pharmaceuticals in 1446 milk and fish tissue using liquid chromatography quadrupole-time-of-flight mass 1447 spectrometry. J. Agric. Food Chem. 63, 4493–4508. doi:10.1021/acs.jafc.5b00962 1448
Daughton, C.G., 2012. Using biomarkers in sewage to monitor community-wide human 1449 health: isoprostanes as conceptual prototype. Sci. Total Environ. 424, 16–38. 1450 doi:10.1016/j.scitotenv.2012.02.038 1451
Daughton, C.G., 2011. Illicit drugs: contaminants in the environment and utility in 1452 forensic epidemiology. Rev. Environ. Contam. Toxicol. 210, 59–110. 1453 doi:10.1007/978-1-4419-7615-4_3 1454
Daughton, C.G., 2001. Pharmaceuticals and personal care products in the environment, 1455 scientific and regulatory issues., in: Daughton, C.G., Jones-Lepp, T.L. (Eds.), . 1456 American Chemical Society, Washington, pp. 348–364. 1457
De Keyser, W., Gevaert, V., Verdonck, F., De Baets, B., Benedetti, L., 2010. An 1458 emission time series generator for pollutant release modelling in urban areas. 1459 Environ. Model. Softw. 25, 554–561. doi:10.1016/j.envsoft.2009.09.009 1460
de Voogt, P., Emke, E., Helmus, R., Panteliadis, P., van Leerdam, J.A., 2011. 1461 Determination of illicit drugs in the water cycle by LC-Orbitrap MS, in: 1462 Castiglioni, S., Zuccato, E., Fanelli, R. (Eds.), Illicit Drugs in the Environment: 1463 Occurrence, Analysis, and Fate Using Mass Spectrometry. Wiley, New York, NY, 1464 pp. 85–114. 1465
Delatour, T., Mottier, P., Gremaud, E., 2007. Limits of suspicion, recognition and 1466 confirmation as concepts that account for the confirmation transitions at the 1467 detection limit for quantification by liquid chromatography–tandem mass 1468
53
spectrometry. J. Chromatogr. A 1169, 103–110. doi:10.1016/j.chroma.2007.08.065 1469 Devault, D.A., Néfau, T., Pascaline, H., Karolak, S., Levi, Y., 2014. First evaluation of 1470
illicit and licit drug consumption based on wastewater analysis in Fort de France 1471 urban area (Martinique, Caribbean), a transit area for drug smuggling. Sci. Total 1472 Environ. 490, 970–978. doi:10.1016/j.scitotenv.2014.05.090 1473
Díaz, R., Ibáñez, M., Sancho, J. V., Hernández, F., 2012. Target and non-target 1474 screening strategies for organic contaminants, residues and illicit substances in 1475 food, environmental and human biological samples by UHPLC-QTOF-MS. Anal. 1476 Methods 4, 196–209. doi:10.1039/c1ay05385j 1477
Díaz, R., Ibáñez, M., Sancho, J. V., Hernández, F., 2011. Building an empirical mass 1478 spectra library for screening of organic pollutants by ultra-high-pressure liquid 1479 chromatography/hybrid quadrupole time-of-flight mass spectrometry. Rapid 1480 Commun. Mass Spectrom. 25, 355–369. doi:10.1002/rcm.4860 1481
EMA, 2012. Guideline on bioanalytical method validation, European Medicines 1482 Agency, Committee for Medicinal Products for Human Use. 1483 doi:EMEA/CHMP/EWP/192217/2009 1484
EMCDDA, 2016. Assessing illicit drugs in wastwater, in: Castiglioni, S., Vandam, L., 1485 Griffiths, P. (Eds.), Assessing Illicit Drugs in Wastewater: Advances in 1486 Wastewater-Based Drug Epidemiology, EMCDDA Insights 22. Publications 1487 Office of the European Union, Luxembourg, pp. 1–82. doi:10.2810/017397 1488
EMCDDA, 2015a. The EMCDDA’s five key epidemiological indicators [WWW 1489 Document]. URL http://www.emcdda.europa.eu/themes/key-indicators (accessed 1490 5.20.11). 1491
EMCDDA, 2015b. Wastewater analysis and drugs : a European multi-city study. 1492 EMCDDA, 2012. EMCDDA publishes 2012 report on the state of the drugs problem in 1493
Europe., Annual report. doi:10.2810/64775 1494 Emke, E., Evans, S., Kasprzyk-Hordern, B., de Voogt, P., 2014. Enantiomer profiling of 1495
high loads of amphetamine and MDMA in communal sewage: a Dutch 1496 perspective. Sci. Total Environ. 487, 666–672. doi:10.1016/j.scitotenv.2013.11.043 1497
EPA, 2007. Method 1694 : Pharmaceuticals and Personal Care Products in Water , Soil , 1498 Sediment , and Biosolids by HPLC / MS / MS, Environmental Protection Agency: 1499 Method 1694. 1500
European Commission, E., 2002. Decision 2002/657/EC, implementing Council 1501 Directive 96/23/EC concerning the performance of analytical methods and the 1502 interpretation of results. 1503
Evans, S.E., Kasprzyk-Hordern, B., 2014. Applications of chiral chromatography 1504 coupled with mass spectrometry in the analysis of chiral pharmaceuticals in the 1505 environment. Trends Environ. Anal. Chem. 1, e34–e51. 1506 doi:10.1016/j.teac.2013.11.005 1507
Farré, M., Kantiani, L., Petrovic, M., Pérez, S., Barceló, D., 2012. Achievements and 1508 future trends in the analysis of emerging organic contaminants in environmental 1509 samples by mass spectrometry and bioanalytical techniques. J. Chromatogr. A 1510 1259, 86–99. doi:10.1016/j.chroma.2012.07.024 1511
Fedorova, G., Randak, T., Lindberg, R.H., Grabic, R., 2013. Comparison of the 1512 quantitative performance of a Q-Exactive high-resolution mass spectrometer with 1513 that of a triple quadrupole tandem mass spectrometer for the analysis of illicit 1514 drugs in wastewater. Rapid Commun. Mass Spectrom. 27, 1751–1762. 1515 doi:10.1002/rcm.6628 1516
Gago-Ferrero, P., Schymanski, E.L., Bletsou, A.A., Aalizadeh, R., Hollender, J., 1517 Thomaidis, N.S., 2015. Extended Suspect and Non-Target Strategies to 1518
54
Characterize Emerging Polar Organic Contaminants in Raw Wastewater with LC-1519 HRMS/MS. Environ. Sci. Technol. 49, 12333–12341. doi:10.1021/acs.est.5b03454 1520
García-Reyes, J.F., Molina-Díaz, A., Fernández-Alba, A.R., 2007. Identification of 1521 pesticide transformation products in food by liquid chromatography/time-of-flight 1522 mass spectrometry via “fragmentation- degradation” relationships. Anal. Chem. 1523 79, 307–321. doi:10.1021/ac061402d 1524
Gheorghe, A., van Nuijs, A., Pecceu, B., Bervoets, L., Jorens, P.G., Blust, R., Neels, H., 1525 Covaci, A., 2008. Analysis of cocaine and its principal metabolites in waste and 1526 surface water using solid-phase extraction and liquid chromatography-ion trap 1527 tandem mass spectrometry. Anal. Bioanal. Chem. 391, 1309–1319. 1528 doi:10.1007/s00216-007-1754-5 1529
González-Mariño, I., Quintana, J.B., Rodríguez, I., Cela, R., 2010. Determination of 1530 drugs of abuse in water by solid-phase extraction, derivatisation and gas 1531 chromatography-ion trap-tandem mass spectrometry. J. Chromatogr. A 1217, 1532 1748–1760. doi:10.1016/j.chroma.2010.01.046 1533
González-Mariño, I., Quintana, J.B., Rodríguez, I., Gonzáez-Díez, M., Cela, R., 2012. 1534 Screening and selective quantification of illicit drugs in wastewater by mixed-1535 mode solid-phase extraction and quadrupole-time-of-flight liquid chromatography-1536 mass spectrometry. Anal. Chem. 84, 1708–1717. doi:10.1021/ac202989e 1537
González-Mariño, I., Quintana, J.B., Rodríguez, I., Rodil, R., González-Peñas, J., Cela, 1538 R., 2009. Comparison of molecularly imprinted, mixed-mode and hydrophilic 1539 balance sorbents performance in the solid-phase extraction of amphetamine drugs 1540 from wastewater samples for liquid chromatography-tandem mass spectrometry 1541 determination. J. Chromatogr. A 1216, 8435–8441. 1542 doi:10.1016/j.chroma.2009.09.069 1543
Hardman, M., Makarov, A., 2003. Interfacing the orbitrap mass analyzer to an 1544 electrospray ion source. Anal. Chem. 75, 1699–1705. doi:10.1021/ac0258047 1545
Harman, C., Reid, M., Thomas, K. V., 2011. In situ calibration of a passive sampling 1546 device for selected illicit drugs and their metabolites in wastewater, and subsequent 1547 year-long assessment of community drug usage. Environ. Sci. Technol. 45, 5676–1548 5682. doi:10.1021/es201124j 1549
Hernández, F., Bijlsma, L., Sancho, J. V., Díaz, R., Ibáñez, M., 2011a. Rapid wide-1550 scope screening of drugs of abuse, prescription drugs with potential for abuse and 1551 their metabolites in influent and effluent urban wastewater by ultrahigh pressure 1552 liquid chromatography-quadrupole-time-of-flight-mass spectrometry. Anal. Chim. 1553 Acta 684, 96–106. doi:10.1016/j.aca.2010.10.043 1554
Hernández, F., Grimalt, S., Pozo, Ó.J., Sancho, J. V., 2009. Use of ultra-high-pressure 1555 liquid chromatography-quadrupole time-of-flight MS to discover the presence of 1556 pesticide metabolites in food samples. J. Sep. Sci. 32, 2245–2261. 1557 doi:10.1002/jssc.200900093 1558
Hernández, F., Ibáñez, M., Bade, R., Bijlsma, L., Sancho, J.V., 2014. Investigation of 1559 pharmaceuticals and illicit drugs in waters by liquid chromatography-high-1560 resolution mass spectrometry. TrAC Trends Anal. Chem. 63, 140–157. 1561 doi:10.1016/j.trac.2014.08.003 1562
Hernández, F., Ibañez, M., Botero-Coy, A.M., Bade, R., Bustos-Lopez, M.C., Rincon, 1563 J., Moncayo, A., Bijlsma, L., 2015a. LC-QTOF MS screening of more than 1,000 1564 licit and illicit drugs and their metabolites in wastewater and surface waters from 1565 the area of Bogotá, Colombia. Anal. Bioanal. Chem. 407, 6405–6416. 1566 doi:10.1007/s00216-015-8796-x 1567
Hernández, F., Ibáñez, M., Portolés, T., Cervera, M.I., Sancho, J. V, López, F.J., 2015b. 1568
55
Advancing towards universal screening for organic pollutants in waters. J. Hazard. 1569 Mater. 282, 86–95. doi:10.1016/j.jhazmat.2014.08.006 1570
Hernández, F., Pozo, Ó.J., Sancho, J. V., López, F.J., Marín, J.M., Ibáñez, M., 2005. 1571 Strategies for quantification and confirmation of multi-class polar pesticides and 1572 transformation products in water by LC-MS2 using triple quadrupole and hybrid 1573 quadrupole time-of-flight analyzers. TrAC - Trends Anal. Chem. 24, 596–612. 1574 doi:10.1016/j.trac.2005.04.007 1575
Hernández, F., Sancho, J.V., Ibáñez, M., Portolés, T., 2011b. Time-of-Flight and 1576 Quadrupole Time-of-Flight Mass Spectrometry for Identifying Unknown 1577 Contaminants and Degradation Products in the Environment. Encycl. Anal. Chem. 1578 doi:10.1002/9780470027318.a9233 1579
Hernández, F., Sancho, J. V., Ibáñez, M., Abad, E., Portolés, T., Mattioli, L., 2012. 1580 Current use of high-resolution mass spectrometry in the environmental sciences. 1581 Anal. Bioanal. Chem. 403, 1251–1264. doi:10.1007/s00216-012-5844-7 1582
Heuett, N. V, Ramirez, C.E., Fernandez, A., Gardinali, P.R., 2015. Analysis of drugs of 1583 abuse by online SPE-LC high resolution mass spectrometry: communal assessment 1584 of consumption. Sci. Total Environ. 511, 319–330. 1585 doi:10.1016/j.scitotenv.2014.12.043 1586
Hogenboom, A.C., van Leerdam, J.A., de Voogt, P., 2009. Accurate mass screening and 1587 identification of emerging contaminants in environmental samples by liquid 1588 chromatography-hybrid linear ion trap Orbitrap mass spectrometry. J. Chromatogr. 1589 A 1216, 510–519. doi:10.1016/j.chroma.2008.08.053 1590
Holm, N.B., Pedersen, A.J., Dalsgaard, P.W., Linnet, K., 2015. Metabolites of 5F-AKB-1591 48, a synthetic cannabinoid receptor agonist, identified in human urine and liver 1592 microsomal preparations using liquid chromatography high-resolution mass 1593 spectrometry. Drug Test. Anal. 7, 199–206. doi:10.1002/dta.1663 1594
Horai, H., Arita, M., Kanaya, S., Nihei, Y., Ikeda, T., Suwa, K., Ojima, Y., Tanaka, K., 1595 Tanaka, S., Aoshima, K., Oda, Y., Kakazu, Y., Kusano, M., Tohge, T., Matsuda, 1596 F., Sawada, Y., Hirai, M.Y., Nakanishi, H., Ikeda, K., Akimoto, N., Maoka, T., 1597 Takahashi, H., Ara, T., Sakurai, N., Suzuki, H., Shibata, D., Neumann, S., Iida, T., 1598 Tanaka, K., Funatsu, K., Matsuura, F., Soga, T., Taguchi, R., Saito, K., Nishioka, 1599 T., 2010. MassBank: A public repository for sharing mass spectral data for life 1600 sciences. J. Mass Spectrom. 45, 703–714. doi:10.1002/jms.1777 1601
A new mass spectrometer. J. Mass Spectrom. 40, 430–443. doi:10.1002/jms.856 1607 Hug, C., Ulrich, N., Schulze, T., Brack, W., Krauss, M., 2014. Identification of novel 1608
micropollutants in wastewater by a combination of suspect and nontarget 1609 screening. Environ. Pollut. 184, 25–32. doi:10.1016/j.envpol.2013.07.048 1610
Humphries, M.A., Bruno, R., Lai, F.Y., Thai, P.K., Holland, B.R., O’Brien, J.W., Ort, 1611 C., Mueller, J.F., 2016. Evaluation of monitoring schemes for wastewater-based 1612 epidemiology to identify drug use trends using cocaine, methamphetamine, 1613 MDMA and methadone. Environ. Sci. Technol. doi:10.1021/acs.est.5b06126 1614
Ibañez, M., Pozo, A.J., Sancho, J. V., Orengo, T., Haro, G., Hernandez, F., 2016. 1615 Analytical strategy to investigate 3,4-methylenedioxypyrovalerone (MDPV) 1616 metabolites in consumers’ urine by high-resolution mass spectrometry. Anal. 1617 Bioanal. Chem. 408, 151–164. doi:10.1007/s00216-015-9088-1 1618
56
Ibáñez, M., Sancho, J. V., Bijlsma, L., Van Nuijs, A.L.N., Covaci, A., Hernández, F., 1619 2014. Comprehensive analytical strategies based on high-resolution time-of-flight 1620 mass spectrometry to identify new psychoactive substances. TrAC - Trends Anal. 1621 Chem. 57, 107–117. doi:10.1016/j.trac.2014.02.009 1622
Ibáñez, M., Sancho, J. V., Hernández, F., McMillan, D., Rao, R., 2008. Rapid non-1623 target screening of organic pollutants in water by ultraperformance liquid 1624 chromatography coupled to time-of-light mass spectrometry. TrAC - Trends Anal. 1625 Chem. 27, 481–489. doi:10.1016/j.trac.2008.03.007 1626
Ibáñez, M., Sancho, J. V., Pozo, Ó.J., Niessen, W.M.A., Hernández, F., 2005. Use of 1627 quadrupole time-of-flight mass spectrometry in the elucidation of unknown 1628 compounds present in environmental water. Rapid Commun. Mass Spectrom. 19, 1629 169–178. doi:10.1002/rcm.1764 1630
Irvine, R.J., Kostakis, C., Felgate, P.D., Jaehne, E.J., Chen, C., White, J.M., 2011. 1631 Population drug use in Australia: a wastewater analysis. Forensic Sci. Int. 210, 69–1632 73. doi:10.1016/j.forsciint.2011.01.037 1633
Kankaanpää, A., Ariniemi, K., Heinonen, M., Kuoppasalmi, K., Gunnar, T., 2014. Use 1634 of illicit stimulant drugs in Finland: A wastewater study in ten major cities. Sci. 1635 Total Environ. 487, 696–702. doi:10.1016/j.scitotenv.2013.11.095 1636
Karolak, S., Nefau, T., Bailly, E., Solgadi, A., Levi, Y., 2010. Estimation of illicit drugs 1637 consumption by wastewater analysis in Paris area (France). Forensic Sci. Int. 200, 1638 153–160. doi:10.1016/j.forsciint.2010.04.007 1639
Kasprzyk-Hordern, B., Baker, D.R., 2012a. Estimation of community-wide drugs use 1640 via stereoselective profiling of sewage. Sci. Total Environ. 423, 142–150. 1641 doi:10.1016/j.scitotenv.2012.02.019 1642
Kasprzyk-Hordern, B., Baker, D.R., 2012b. Enantiomeric profiling of chiral drugs in 1643 wastewater and receiving waters. Environ. Sci. Technol. 46, 1681–1691. 1644 doi:10.1021/es203113y 1645
Kaufmann, A., 2014. Combining UHPLC and high-resolution MS: A viable approach 1646 for the analysis of complex samples? TrAC Trends Anal. Chem. 63, 113–128. 1647 doi:10.1016/j.trac.2014.06.025 1648
Kaufmann, A., Butcher, P., Maden, K., Walker, S., Widmer, M., 2010. Comprehensive 1649 comparison of liquid chromatography selectivity as provided by two types of liquid 1650 chromatography detectors (high resolution mass spectrometry and tandem mass 1651 spectrometry): “where is the crossover point?”. Anal. Chim. Acta 673, 60–72. 1652 doi:10.1016/j.aca.2010.05.020 1653
Kellmann, M., Muenster, H., Zomer, P., Mol, H., 2009. Full Scan MS in 1654 Comprehensive Qualitative and Quantitative Residue Analysis in Food and Feed 1655 Matrices: How Much Resolving Power is Required? J. Am. Soc. Mass Spectrom. 1656 20, 1464–1476. doi:10.1016/j.jasms.2009.05.010 1657
Kern, S., Fenner, K., Singer, H.P., Schwarzenbach, R.P., Hollender, J., 2009. 1658 Identification of transformation products of organic contaminants in natural waters 1659 by computer-aided prediction and high-resolution mass spectrometry. Environ. Sci. 1660 Technol. 43, 7039–7046. doi:10.1021/es901979h 1661
Khan, U., van Nuijs, A.L.N., Li, J., Maho, W., Du, P., Li, K., Hou, L., Zhang, J., Meng, 1662 X., Li, X., Covaci, A., 2014. Application of a sewage-based approach to assess the 1663 use of ten illicit drugs in four Chinese megacities. Sci. Total Environ. 487, 710–1664 721. doi:10.1016/j.scitotenv.2014.01.043 1665
Kim, K.Y., Lai, F.Y., Kim, H.-Y., Thai, P.K., Mueller, J.F., Oh, J.-E., 2015. The first 1666 application of wastewater-based drug epidemiology in five South Korean cities. 1667 Sci. Total Environ. 524–525, 440–446. doi:10.1016/j.scitotenv.2015.04.065 1668
57
Kinyua, J., Covaci, A., Maho, W., McCall, A.-K., Neels, H., van Nuijs, A.L.N., 2015. 1669 Sewage-based epidemiology in monitoring the use of new psychoactive 1670 substances: Validation and application of an analytical method using LC-MS/MS. 1671 Drug Test. Anal. 7, 812–818. doi:10.1002/dta.1777 1672
Krauss, M., Singer, H., Hollender, J., 2010. LC-high resolution MS in environmental 1676 analysis: From target screening to the identification of unknowns. Anal. Bioanal. 1677 Chem. 397, 943–951. doi:10.1007/s00216-010-3608-9 1678
Lai, F.Y., Bruno, R., Hall, W., Gartner, C., Ort, C., Kirkbride, P., Prichard, J., Thai, 1679 P.K., Carter, S., Mueller, J.F., 2013a. Profiles of illicit drug use during annual key 1680 holiday and control periods in Australia: Wastewater analysis in an urban, a semi-1681 rural and a vacation area. Addiction 108, 556–565. doi:10.1111/add.12006 1682
Lai, F.Y., Bruno, R., Leung, H.W., Thai, P.K., Ort, C., Carter, S., Thompson, K., Lam, 1683 P.K.S., Mueller, J.F., 2013b. Estimating daily and diurnal variations of illicit drug 1684 use in Hong Kong: A pilot study of using wastewater analysis in an Asian 1685 metropolitan city. Forensic Sci. Int. 233, 126–132. 1686 doi:10.1016/j.forsciint.2013.09.003 1687
Lai, F.Y., Ort, C., Gartner, C., Carter, S., Prichard, J., Kirkbride, P., Bruno, R., Hall, 1688 W., Eaglesham, G., Mueller, J.F., 2011. Refining the estimation of illicit drug 1689 consumptions from wastewater analysis: co-analysis of prescription 1690 pharmaceuticals and uncertainty assessment. Water Res. 45, 4437–4448. 1691 doi:10.1016/j.watres.2011.05.042 1692
Li, J., Hou, L., Du, P., Yang, J., Li, K., Xu, Z., Wang, C., Zhang, H., Li, X., 2014. 1693 Estimation of amphetamine and methamphetamine uses in Beijing through 1694 sewage-based analysis. Sci. Total Environ. 490, 724–32. 1695 doi:10.1016/j.scitotenv.2014.05.042 1696
Makarov, A., Denisov, E., Kholomeev, A., Balschun, W., Lange, O., Strupat, K., 1697 Horning, S., 2006. Performance Evaluation of a Hybrid Linear Ion Trap / Orbitrap 1698 Mass Spectrometer. Anal. Chem. 78, 2113–2120. 1699
Makarov, A., Scigelova, M., 2010. Coupling liquid chromatography to Orbitrap mass 1700 spectrometry. J. Chromatogr. A 1217, 3938–3945. 1701 doi:10.1016/j.chroma.2010.02.022 1702
Maldaner, A.O., Schmidt, L.L., Locatelli, M.A.F., Jardim, W.F., Sodré, F.F., Almeida, 1703 F. V., Pereira, C.E.B., Silva, C.M., 2012. Estimating cocaine consumption in the 1704 brazilian federal district (FD) by sewage analysis. J. Braz. Chem. Soc. 23, 861–1705 867. doi:10.1590/S0103-50532012000500011 1706
Mari, F., Politi, L., Biggeri, A., Accetta, G., Trignano, C., Di Padua, M., Bertol, E., 1707 2009. Cocaine and heroin in waste water plants: A 1-year study in the city of 1708 Florence, Italy. Forensic Sci. Int. 189, 88–92. doi:10.1016/j.forsciint.2009.04.018 1709
Martínez Bueno, M.J., Uclés, S., Hernando, M.D., Fernández-Alba, A.R., 2011. 1710 Development of a solvent-free method for the simultaneous 1711 identification/quantification of drugs of abuse and their metabolites in 1712 environmental water by LC-MS/MS. Talanta 85, 157–166. 1713 doi:10.1016/j.talanta.2011.03.051 1714
Mastroianni, N., Lopez de Alda, M., Barcelo, D., 2014. Analysis of ethyl sulfate in raw 1715 wastewater for estimation of alcohol consumption and its correlation with drugs of 1716 abuse in the city of Barcelona. J. Chromatogr. A 1360, 93–99. 1717 doi:10.1016/j.chroma.2014.07.051 1718
58
McCall, A.-K., Bade, R., Kinyua, J., Lai, F.Y., Thai, P.K., Covaci, A., Bijlsma, L., van 1719 Nuijs, A.L.N., Ort, C., 2016. Critical review on the stability of illicit drugs in 1720 sewers and wastewater samples. Water Res. 88, 933–947. 1721 doi:10.1016/j.watres.2015.10.040 1722
Metcalfe, C., Tindale, K., Li, H., Rodayan, A., Yargeau, V., 2010. Illicit drugs in 1723 Canadian municipal wastewater and estimates of community drug use. Environ. 1724 Pollut. 158, 3179–3185. doi:10.1016/j.envpol.2010.07.002 1725
Meyer, M.R., Holderbaum, A., Kavanagh, P., Maurer, H.H., 2015. Low resolution and 1726 high resolution MS for studies on the metabolism and toxicological detection of 1727 the new psychoactive substance methoxypiperamide (MeOP). J. Mass Spectrom. 1728 50, 1163–1174. doi:10.1002/jms.3635 1729
Miller, T.H., Musenga, A., Cowan, D. a, Barron, L.P., 2013. Prediction of 1730 Chromatographic Retention Time in High-Resolution Anti-Doping Screening Data 1731 Using Arti fi cial Neural Networks. Anal. Chem. 85, 10330–10337. 1732
Moore, K.A., Mozayani, A., Fierro, M.F., Poklis, A., 1996. Distribution of 3,4-1733 methylenedioxymethamphetamine (MDMA) and 3,4-methylenedioxyamphetamine 1734 (MDA) stereoisomers in a fatal poisoning. Forensic Sci. Int. 83, 111–119. 1735 doi:10.1016/S0379-0738(96)02025-7 1736
Munro, K., Miller, T.H., Martins, C.P.B., Edge, A.M., Cowan, D.A., Barron, L.P., 2015. 1737 Artificial neural network modelling of pharmaceutical residue retention times in 1738 wastewater extracts using gradient liquid chromatography-high resolution mass 1739 spectrometry data. J. Chromatogr. A 1396, 34–44. 1740 doi:10.1016/j.chroma.2015.03.063 1741
Nácher-Mestre, J., Ibáñez, M., Serrano, R., Boix, C., Bijlsma, L., Lunestad, B.T., 1742 Hannisdal, R., Alm, M., Hernández, F., Berntssen, M.H.G., 2016. Investigation of 1743 pharmaceuticals in processed animal by-products by liquid chromatography 1744 coupled to high-resolution mass spectrometry. Chemosphere 154, 231–239. 1745 doi:10.1016/j.chemosphere.2016.03.091 1746
Nutt, D., King, L.A., Saulsbury, W., Blakemore, C., 2007. Development of a rational 1747 scale to assess the harm of drugs of potential misuse. Lancet (London, England) 1748 369, 1047–1053. doi:10.1016/S0140-6736(07)60464-4 1749
Ort, C., 2014. Quality assurance/quality control in wastewater sampling, in: Zhang, C., 1750 Mueller, J.F., Mortimer, M. (Eds.), Quality Assurance & Quality Control of 1751 Environmental Field Samples. Future Science, London, UK. 1752
Ort, C., Eppler, J.M., Scheidegger, A., Rieckermann, J., Kinzig, M., Sörgel, F., 2014b. 1756 Challenges of surveying wastewater drug loads of small populations and 1757 generalizable aspects on optimizing monitoring design. Addiction 109, 472–481. 1758 doi:10.1111/add.12405 1759
Ort, C., Lawrence, M.G., Reungoat, J., Mueller, J.F., 2010a. Sampling for PPCPs in 1760 Wastewater Systems: Comparison of Different Sampling Modes and Optimization 1761 Strategies. Environ. Sci. Technol. 44, 6289–6296. doi:10.1021/es100778d 1762
Ort, C., Lawrence, M.G., Rieckermann, J., Joss, A., 2010b. Sampling for 1763 pharmaceuticals and personal care products (PPCPs) and illicit drugs in wastewater 1764 systems: Are your conclusions valid? A critical review. Environ. Sci. Technol. 44, 1765 6024–6035. doi:10.1021/es100779n 1766
Ort, C., van Nuijs, A.L.N., Berset, J.D., Bijlsma, L., Castiglioni, S., Covaci, A., de 1767 Voogt, P., Emke, E., Fatta-Kassinos, D., Griffiths, P., Hernández, F., González-1768
59
Mariño, I., Grabic, R., Kasprzyk-Hordern, B., Mastroianni, N., Meierjohann, A., 1769 Nefau, T., Östman, M., Pico, Y., Racamonde, I., Reid, M., Slobodnik, J., Terzic, 1770 S., Thomaidis, N., Thomas, K. V., 2014c. Spatial differences and temporal changes 1771 in illicit drug use in Europe quantified by wastewater analysis. Addiction 109, 1772 1338–1352. doi:10.1111/add.12570 1773
Petrovic, M., Farré, M., de Alda, M.L., Perez, S., Postigo, C., Köck, M., Radjenovic, J., 1774 Gros, M., Barcelo, D., 2010. Recent trends in the liquid chromatography-mass 1775 spectrometry analysis of organic contaminants in environmental samples. J. 1776 Chromatogr. A 1217, 4004–4017. doi:10.1016/j.chroma.2010.02.059 1777
Plumb, R.S., Johnson, K.A., Rainville, P., Smith, B.W., Wilson, I.D., Castro-Perez, 1778 J.M., Nicholson, J.K., 2006. UPLC/MS E ; a new approach for generating 1779 molecular fragment information for biomarker structure elucidation. Rapid 1780 Commun. mass Spectrom. 20, 1989–1994. doi:10.1002/rcm 1781
Postigo, C., Lopez De Alda, M.J., Barceló, D., 2008. Fully automated determination in 1782 the low nanogram per liter level of different classes of drugs of abuse in sewage 1783 water by on-line solid-phase extraction-liquid chromatography-electrospray-1784 tandem mass spectrometry. Anal. Chem. 80, 3123–3134. doi:10.1021/ac702060j 1785
Postigo, C., Sirtori, C., Oller, I., Malato, S., Maldonado, M.I., López de Alda, M., 1786 Barceló, D., 2011. Solar transformation and photocatalytic treatment of cocaine in 1787 water: Kinetics, characterization of major intermediate products and toxicity 1788 evaluation. Appl. Catal. B Environ. 104, 37–48. doi:10.1016/j.apcatb.2011.02.030 1789
Pozo, O.J., Ibanez, M., Sancho, J. V., Lahoz-Beneytez, J., Farre, M., Papaseit, E., de la 1790 Torre, R., Hernandez, F., 2014. Mass Spectrometric Evaluation of Mephedrone In 1791 Vivo Human Metabolism: Identification of Phase I and Phase II Metabolites, 1792 Including a Novel Succinyl Conjugate. Drug Metab. Dispos. 43, 248–257. 1793 doi:10.1124/dmd.114.061416 1794
Pozo, O.J., Sancho, J. V., Ibáñez, M., Hernández, F., Niessen, W.M.A., 2006. 1795 Confirmation of organic micropollutants detected in environmental samples by 1796 liquid chromatography tandem mass spectrometry: Achievements and pitfalls. 1797 TrAC Trends Anal. Chem. 25, 1030–1042. doi:10.1016/j.trac.2006.06.012 1798
Pozo, O.J., Van Eenoo, P., Deventer, K., Delbeke, F.T., 2007. Development and 1799 validation of a qualitative screening method for the detection of exogenous 1800 anabolic steroids in urine by liquid chromatography-tandem mass spectrometry. 1801 Anal. Bioanal. Chem. 389, 1209–1224. doi:10.1007/s00216-007-1530-6 1802
Prichard, J., Lai, F.Y., Kirkbride, P., Bruno, R., Ort, C., Carter, S., Hall, W., Gartner, 1803 C., Thai, P.K., Mueller, J.F., 2012. Measuring drug use patterns in Queensland 1804 through wastewater analysis. Trends Issues Crime Crim. Justice 1–8. 1805
Racamonde, I., Rodil, R., Quintana, J.B., Cela, R., 2013. In-sample derivatization-solid-1806 phase microextraction of amphetamines and ecstasy related stimulants from water 1807 and urine. Anal. Chim. Acta 770, 75–84. doi:10.1016/j.aca.2013.02.001 1808
Racamonde, I., Villaverde-de-Sáa, E., Rodil, R., Quintana, J.B., Cela, R., 2012. 1809 Determination of Δ9-tetrahydrocannabinol and 11-nor-9-carboxy-Δ9-1810 tetrahydrocannabinol in water samples by solid-phase microextraction with on-1811 fiber derivatization and gas chromatography-mass spectrometry. J. Chromatogr. A 1812 1245, 167–174. doi:10.1016/j.chroma.2012.05.017 1813
Reid, M.J., Baz-Lomba, J.A., Ryu, Y., Thomas, K. V., 2014a. Using biomarkers in 1814 wastewater to monitor community drug use: a conceptual approach for dealing 1815 with new psychoactive substances. Sci. Total Environ. 487, 651–658. 1816 doi:10.1016/j.scitotenv.2013.12.057 1817
Reid, M.J., Derry, L., Thomas, K. V., 2014b. Analysis of new classes of recreational 1818
60
drugs in sewage: Synthetic cannabinoids and amphetamine-like substances. Drug 1819 Test. Anal. 6, 72–79. doi:10.1002/dta.1461 1820
Reid, M.J., Langford, K.H., Mørland, J., Thomas, K. V., 2011. Analysis and 1821 interpretation of specific ethanol metabolites, ethyl sulfate, and ethyl glucuronide 1822 in sewage effluent for the quantitative measurement of regional alcohol 1823 consumption. Alcohol. Clin. Exp. Res. 35, 1593–1599. doi:10.1111/j.1530-1824 0277.2011.01505.x 1825
Rodríguez-Álvarez, T., Racamonde, I., González-Mariño, I., Borsotti, A., Rodil, R., 1826 Rodríguez, I., Zuccato, E., Quintana, J.B., Castiglioni, S., 2015. Alcohol and 1827 cocaine co-consumption in two European cities assessed by wastewater analysis. 1828 Sci. Total Environ. 536, 91–98. doi:10.1016/j.scitotenv.2015.07.016 1829
Rodríguez-Álvarez, T., Rodil, R., Cela, R., Quintana, J.B., 2014. Ion-pair reversed-1830 phase liquid chromatography-quadrupole-time-of-flight and triple-quadrupole-1831 mass spectrometry determination of ethyl sulfate in wastewater for alcohol 1832 consumption tracing. J. Chromatogr. A 1328, 35–42. 1833 doi:10.1016/j.chroma.2013.12.076 1834
Rodriguez-Alvarez, T., Rodil, R., Rico, M., Cela, R., Quintana, J.B., 2014. Assessment 1835 of Local Tobacco Consumption by Liquid Chromatography − Tandem Mass 1836 Spectrometry Sewage Analysis of Nicotine and Its Metabolites, Cotinine and trans-1837 3 ′ -Hydroxycotinine, after Enzymatic Deconjugation. Anal. Chemsitry 86, 10274–1838 10281. 1839
SANCO, 2013. Guidance document on analytical quality control and validation 1840 procedures for pesticide residues analysis in food and feed. 1841
SANTE/11945, 2015. Guidance document on analytical quality control and method 1842 validation procedures for pesticide residues analysis in food and feed. 1843
Schymanski, E.L., Jeon, J., Gulde, R., Fenner, K., Ru, M., Singer, H.P., Hollender, J., 1844 2014a. Identifying Small Molecules via High Resolution Mass Spectrometry: 1845 Communicating Confidence. Environ. Sci. Technol. 48, 2097–2098. 1846 doi:10.1021/es5002105 | 1847
Schymanski, E.L., Singer, H.P., Longrée, P., Loos, M., Ruff, M., Stravs, M.A., Ripollés 1848 Vidal, C., Hollender, J., 2014b. Strategies to characterize polar organic 1849 contamination in wastewater: Exploring the capability of high resolution mass 1850 spectrometry. Environ. Sci. Technol. 48, 1811–1818. doi:10.1021/es4044374 1851
Schymanski, E.L., Singer, H.P., Slobodnik, J., Ipolyi, I.M., Oswald, P., Krauss, M., 1852 Schulze, T., Haglund, P., Letzel, T., Grosse, S., Thomaidis, N.S., Bletsou, A., 1853 Zwiener, C., Ibáñez, M., Portolés, T., de Boer, R., Reid, M.J., Onghena, M., 1854 Kunkel, U., Schulz, W., Guillon, A., Noyon, N., Leroy, G., Bados, P., Bogialli, S., 1855 Stipaničev, D., Rostkowski, P., Hollender, J., 2015. Non-target screening with 1856 high-resolution mass spectrometry: critical review using a collaborative trial on 1857 water analysis. Anal. Bioanal. Chem. 407, 6237–6255. doi:10.1007/s00216-015-1858 8681-7 1859
Senta, I., Krizman, I., Ahel, M., Terzic, S., 2013. Integrated procedure for multiresidue 1860 analysis of dissolved and particulate drugs in municipal wastewater by liquid 1861 chromatography-tandem mass spectrometry. Anal. Bioanal. Chem. 405, 3255–1862 3268. doi:10.1007/s00216-013-6720-9 1863
Stanstrup, J., Neumann, S., Vrhovšek, U., 2015. PredRet: Prediction of Retention Time 1864 by Direct Mapping between Multiple Chromatographic Systems. Anal. Chem. 87, 1865 9421–9428. doi:10.1021/acs.analchem.5b02287 1866
Subedi, B., Kannan, K., 2014. Mass loading and removal of select illicit drugs in two 1867 wastewater treatment plants in New York State and estimation of illicit drug usage 1868
61
in communities through wastewater analysis. Environ. Sci. Technol. 48, 6661–1869 6670. doi:10.1021/es501709a 1870
Takayama, T., Suzuki, M., Todoroki, K., Inoue, K., Min, J.Z., Kikura-Hanajiri, R., 1871 Goda, Y., Toyo’oka, T., 2014. UPLC/ESI-MS/MS-based determination of 1872 metabolism of several new illicit drugs, ADB-FUBINACA, AB-FUBINACA, AB-1873 PINACA, QUPIC, 5F-QUPIC and α-PVT, by human liver microsome. Biomed. 1874 Chromatogr. 28, 831–838. doi:10.1002/bmc.3155 1875
Thomas, K. V., Bijlsma, L., Castiglioni, S., Covaci, A., Emke, E., Grabic, R., 1876 Hernández, F., Karolak, S., Kasprzyk-Hordern, B., Lindberg, R.H., Lopez de Alda, 1877 M., Meierjohann, A., Ort, C., Pico, Y., Quintana, J.B., Reid, M., Rieckermann, J., 1878 Terzic, S., van Nuijs, A.L.N., de Voogt, P., 2012. Comparing illicit drug use in 19 1879 European cities through sewage analysis. Sci. Total Environ. 432, 432–439. 1880 doi:10.1016/j.scitotenv.2012.06.069 1881
Thomas, K. V., Reid, M.J., 2011. What Else Can the Analysis of Sewage for Urinary 1882 Biomarkers Reveal About Communities? Environ. Sci. Technol. 45, 7611–7612. 1883 doi:10.1021/es202522d 1884
Thurman, E.M., Ferrer, I., Zweigenbaum, J.A., García-Reyes, J.F., Woodman, M., 1885 Fernández-Alba, A.R., 2005. Discovering metabolites of post-harvest fungicides in 1886 citrus with liquid chromatography/time-of-flight mass spectrometry and ion trap 1887 tandem mass spectrometry. J. Chromatogr. A 1082, 71–80. 1888 doi:10.1016/j.chroma.2005.03.042 1889
Trufelli, H., Palma, P., Famiglini, G., Cappiello, A., 2011. An overview of matrix 1890 effects in liqiud chromatography-mass spectrometry. Mass Spectrom. Rev. 30, 1891 491–509. doi:DOI 10.1002/mas.20298 1892
Tscharke, B., Chen, C., Gerber, J.P., White, J.M., 2015. Trends in stimulant use in 1893 Australia: A comparison of wastewater analysis and population surveys. Sci. Total 1894 Environ. 536, 331–337. doi:10.1016/j.scitotenv.2015.07.078 1895
Tscharke, B.J., White, J.M., Gerber, J.P., 2016. Estimates of tobacco use by wastewater 1896 analysis of anabasine and anatabine. Drug Test. Anal. 8, 702–707. 1897 doi:10.1002/dta.1842 1898
Tscharke, Chen, C., Gerber, J.P., White, J.M., 2016. Temporal trends in drug use in 1899 Adelaide, South Australia by wastewater analysis. Sci. Total Environ. 565, 384–1900 391. doi:10.1016/j.scitotenv.2016.04.183 1901
UNODC, 2014. World Drug Report 2014, Trends in Organized Crime. 1902 doi:10.1007/s12117-997-1166-0 1903
van der Aa, M., Bijlsma, L., Emke, E., Dijkman, E., van Nuijs, A.L.N., van de Ven, B., 1904 Hernández, F., Versteegh, A., de Voogt, P., 2013. Risk assessment for drugs of 1905 abuse in the Dutch watercycle. Water Res. 47, 1848–1857. 1906 doi:10.1016/j.watres.2013.01.013 1907
van Leerdam, J.A., Vervoort, J., Stroomberg, G., de Voogt, P., 2014. Identification of 1908 unknown microcontaminants in dutch river water by liquid chromatography-high 1909 resolution mass spectrometry and nuclear magnetic resonance spectroscopy. 1910 Environ. Sci. Technol. 48, 12791–12799. doi:10.1021/es502765e 1911
van Nuijs, A.L.N., Castiglioni, S., Tarcomnicu, I., Postigo, C., de Alda, M.L., Neels, H., 1912 Zuccato, E., Barcelo, D., Covaci, A., 2011. Illicit drug consumption estimations 1913 derived from wastewater analysis: A critical review. Sci. Total Environ. 409, 1914 3564–3577. doi:10.1016/j.scitotenv.2010.05.030 1915
van Nuijs, A.L.N., Gheorghe, A., Jorens, P.G., Maudens, K., Neels, H., Covaci, A., 1916 2014. Optimization, validation, and the application of liquid chromatography-1917 tandem mass spectrometry for the analysis of new drugs of abuse in wastewater. 1918
62
Drug Test. Anal. 6, 861–867. doi:10.1002/dta.1460 1919 van Nuijs, A.L.N., Tarcomnicu, I., Bervoets, L., Blust, R., Jorens, P.G., Neels, H., 1920
Covaci, A., 2009. Analysis of drugs of abuse in wastewater by hydrophilic 1921 interaction liquid chromatography-tandem mass spectrometry. Anal. Bioanal. 1922 Chem. 395, 819–828. doi:10.1007/s00216-009-3017-0 1923
Vazquez-Roig, P., Blasco, C., Picó, Y., 2013. Advances in the analysis of legal and 1924 illegal drugs in the aquatic environment. TrAC - Trends Anal. Chem. 50, 65–77. 1925 doi:10.1016/j.trac.2013.04.008 1926
Venhuis, B.J., de Voogt, P., Emke, E., Causanilles, A., Keizers, P.H.J., 2014. Success of 1927 rogue online pharmacies: sewage study of sildenafil in the Netherlands. BMJ 349, 1928 g4317. doi:10.1136/bmj.g4317 1929
Voloshenko-Rossin, A., Gasser, G., Cohen, K., Gun, J., Cumbal-Flores, L., Parra-1930 Morales, W., Sarabia, F., Ojeda, F., Lev, O., 2015. Emerging pollutants in the 1931 Esmeraldas watershed in Ecuador: discharge and attenuation of emerging organic 1932 pollutants along the San Pedro–Guayllabamba–Esmeraldas rivers. Environ. Sci. 1933 Process. Impacts 17, 41–53. doi:10.1039/C4EM00394B 1934
Wong, C.S., MacLeod, S.L., 2009. JEM spotlight: recent advances in analysis of 1935 pharmaceuticals in the aquatic environment. J. Environ. Monit. 11, 923–936. 1936 doi:10.1039/b904065j 1937
Yang, Z., Anglès d’Auriac, M., Goggins, S., Kasprzyk-Hordern, B., Thomas, K. V, 1938 Frost, C.G., Estrela, P., 2015a. A novel DNA biosensor using a ferrocenyl 1939 intercalator applied to the potential detection of human population biomarkers in 1940 wastewater. Environ. Sci. Technol. 49, 5609–5617. doi:10.1021/acs.est.5b00637 1941
Yang, Z., Castrignanò, E., Estrela, P., Frost, C.G., Kasprzyk-Hordern, B., 2016. 1942 Community Sewage Sensors towards Evaluation of Drug Use Trends: Detection of 1943 Cocaine in Wastewater with DNA-Directed Immobilization Aptamer Sensors. Sci. 1944 Rep. 6, 1–10. doi:10.1038/srep21024 1945
Yang, Z., Kasprzyk-Hordern, B., Frost, C.G., Estrela, P., Thomas, K. V, 2015b. 1946 Community sewage sensors for monitoring public health. Environ. Sci. Technol. 1947 49, 5845–5846. doi:10.1021/acs.est.5b01434 1948
Yang, Z., Kasprzyk-Hordern, B., Goggins, S., Frost, C.G., Estrela, P., 2015c. A novel 1949 immobilization strategy for electrochemical detection of cancer biomarkers: DNA-1950 directed immobilization of aptamer sensors for sensitive detection of prostate 1951 specific antigens. Analyst 140, 2628–2633. doi:10.1039/c4an02277g 1952
Zomer, P., Mol, J.G.J., 2015. Simultaneous quantitative determination, identification 1953 and qualitative screening of pesticides in fruits and vegetables using LC-Q-1954 OrbitrapTM-MS. Food Addit. Contam. Part A Chem. Anal. Control. Expo. Risk 1955 Assess. 32, 1628–1636. doi:10.1080/19440049.2015.1085652 1956
Zuccato, E., Chiabrando, C., Castiglioni, S., Bagnati, R., Fanelli, R., 2008. Estimating 1957 community drug abuse by wastewater analysis. Environ. Health Perspect. 116, 1958 1027–1032. doi:10.1289/ehp.11022 1959
Zuccato, E., Chiabrando, C., Castiglioni, S., Calamari, D., Bagnati, R., Schiarea, S., 1960 Fanelli, R., 2005. Cocaine in surface waters: a new evidence-based tool to monitor 1961 community drug abuse. Environ. Heal. A Glob. Access Sci. Source 4, 1–7. 1962 doi:10.1186 1963