Modern analytical approaches for chemical safety control - a review

  • Elena I. Savelieva Research Institute of Hygiene, Occupational Pathology and Human Ecology of Federal Medical and Biological Agency, Leningrad region, Russia
  • Mikhail A. Leninskiy Research Institute of Hygiene, Occupational Pathology and Human Ecology of Federal Medical and Biological Agency, Leningrad region, Russia
  • Irina A. Vasilieva Research Institute of Hygiene, Occupational Pathology and Human Ecology of Federal Medical and Biological Agency, Leningrad region, Russia
Keywords: environmental impact assessment, toxic organic compounds, transformation products, prioritization, quantitative structure-activity relationship(s), liquid chromatography-mass spectrometry.

Abstract

One of the most important tasks for ensuring chemical safety is development of modern analytical procedures for relevant and time-bound detection and identification of toxicity of chemical compounds in different sources, with high accuracy and reliability. This review highlights current issues of sanitary-chemical expertise covering the necessity to expand the range of regulated compounds taking into account products of their chemical transformation which are often even more toxic than starting materials, as well as the need to take into consideration a complex effect of hazardous substances on living organisms and the environment. An integrated chemical and toxicological analytical approach is discussed which combines both targeted and non-targeted analyses with bioassay-directed procedures. Innovative approaches to examining hazardous chemical sources are considered, such as quantitative structure-activity relationship(s), prioritization of the most hazardous substances, including progress in developing methodology for detection and identification of organic compounds derived from variable sources. High expectations are associated with the improvement of in silico approaches for assessing toxicity. It is emphasized a key role of high-performance liquid chromatography-mass spectrometry in the detection, identification, multitargeted screening and quantification of toxic organic compounds. Possible ways for upgrading the concept of chemical safety control in the Russian Federation are proposed.

References

Fundamentals of the state policy of the Russian Federation in the field of ensuring chemical and biological safety for the period up to 2025 and beyond. RF Presidential Edict No. 97 of March 11, 2019 (in Russ).

Ul’yanovsky, N.V., Pokryshkin, S.A., Kosyakov, D.S., Kozhevnikov, A.Yu., Ivakhnov, A.D., & Bogolitsyn, K.G. (2012). Chromatography-mass spectrometric identification of transformation products of 1,1-dimethylhydrazine in peat soil. Khimija rastitel’nogo syr’ja = Chemistry of Plant Raw Materials, 3, 181 - 187 (in Russ.).

Kosyakov, D.S., Ul’yanovskii, N.V., Bogolitsyn, K.G., & Shpigun, O.A. (2014). Simultaneous determination of 1,1-dimethylhydrazine and products of its oxidative transformations by liquid chromatography–tandem mass spectrometry. International Journal of Environmental Analytical Chemistry, 94(12), 1254 - 1263. https://doi.org/10.1080/03067319.2014.940342

Ul’yanovskii, N.V., Kosyakov, D.S., Pikovskoi, I.I., & Khabarov, Y.G. (2017). Characterisation of oxidation products of 1,1-dimethylhydrazine by high-resolution orbitrap mass spectrometry. Chemosphere, 174, 66 - 75. https://doi.org/10.1016/j.chemosphere.2017.01.118

Kosyakov, D.S., Ul’yanovskii, N.V., Pikovskoi, I.I., Kenessov, B., Bakaikina, N.V., Zhubatov, Z., & Lebedev, A.T. (2019). Effects of oxidant and catalyst on the transformation products of rocket fuel 1,1-dimethylhydrazine in water and soil. Chemosphere, 228, 335 - 344. https://doi.org/10.1016/j.chemosphere.2019.04.141

Malysheva, A.G., & Yudin, S.M. (2019). Transformation of chemicals in the environment as an overlooked hazard factor for public health. Khimicheskaya Bezopasnost’ = Chemical safety, 3(2), 45 - 66. https://doi.org/10.25514/CHS.2019.2.16005

Bletsou, A.A., Jeon, J., Hollender, J., Archontaki, E., & Thomaidis, N.S. (2015). Targeted and non-targeted liquid chromatography-mass spectrometric workflows for identification of transformation products of emerging pollutants in the aquatic environment. TrAC-Trends Anal. Chem., 66, 32 - 44. https://doi.org/10.1016/j.trac.2014.11.009

Janna, H., Scrimshaw, M.D., Williams, R.J., Churchley, J., & Sumpter, J.P. (2011). From Dishwasher to Tap? Xenobiotic substances benzotriazole and tolyltriazole in the environment. Environ. Sci. Technol., 45(9), 3858 - 3864. https://doi.org/10.1021/es103267g

Cancilla, D.A., Holtkamp, A., Matassa L., & Fang, X. (1997). Isolation and characterization of Microtox®-active components from aircraft de-icing/anti-icing fluids. Environmental Toxicology and Chemistry, 16(3), 430 - 434. https://doi.org/10.1002/etc.5620160306

Cancilla, D.A., Baird, J.C., Geis, S.W., & Corsi, S.R. (2003). Studies of the environmental fate and effect of aircraft deicing fluids: Detection of 5-methyl-1H-benzotriazole in the fathead minnow (Pimephales promelas). Environmental Toxicology and Chemistry, 22(1), 134 - 140. https://doi.org/10.1002/etc.5620220117

Cancilla, D.A., Baird, J.C., & Rosa, R. (2003). Detection of aircraft deicing additives in groundwater and soil samples from Fairchild Air Force Base, a small to moderate user of deicing fluids. Bull. Environ. Contam. Toxicol., 70(5), 0868 - 0875. https://doi.org/10.1007/s00128-003-0063-8

Liu, Y.-S., Ying, G.-G., Shareef, A., & Kookana, R.S. (2011). Biodegradation of three selected benzotriazoles in aquifer materials under aerobic and anaerobic conditions. J. Contam. Hydrol., 151, 131 - 139. https://doi.org/10.1016/j.jconhyd.2013.05.006

Jia, Y., Bakken, L.R., Breedveld G.D., Aagaard P., & Frostegard, A. (2006). Organic compounds that reach subsoil may threaten ground water quality; effect of benzotriazole on degradation kinetics and microbial community composition. Soil Biology & Biochemistry, 38, 2543 - 2556. https://doi.org/10.1016/j.soilbio.2006.03.010

Jia, Y., Molstad, L., Frostegard, A., Aagaard, P., Breedveld, G.D., & Bakken, L.R. (2007). Kinetics of microbial growth and degradation of organic substrates in subsoil as affected by an inhibitor, benzotriazole: Model based analyses of experimental results. Soil Biology & Biochemistry, 39, 1597- 1608. https://doi.org/10.1016/j.soilbio.2007.01.011

Cornell, J.S., Pillard, D.A., & Hernandez, M.T. (2000). Comparative measures of the toxicity of component chemicals in aircraft deicing fluid. Environmental Toxicology and Chemistry, 19(6), 1465 - 1472. https://doi.org/10.1002/etc.5620190601

Gorga, M., Petrovic, M., & Barcelo, D. (2013). Multi-residue analytical method for the determination of endocrine disruptors and related compounds in river and waste water using dual column liquid chromatography switching system coupled to mass spectrometry. J. Chromatogr. A, 1295, 57 - 66. https://doi.org/10.1016/j.chroma.2013.04.028

Fent, K., Escher, C., & Caminada, D. (2006). Estrogenic activity of pharmaceuticals and pharmaceutical mixtures in a yeast reporter gene system. Reprod. Toxicol., 22(2), 175 - 185. https://doi.org/10.1016/j.reprotox.2006.04.010

Tangtian, H., Bo, L., Wenhua, L., Shin, P.K.S., & Wu, R.S.S. (2012). Estrogenic potential of benzotriazole on marine medaka (Oryzias melastigma). Ecotoxicol. Environ. Saf., 80, 327 - 332. https://doi.org/10.1016/j.ecoenv.2012.03.020

Llorca, M., Badia-Fabregat, M., Rodríguez-Mozaz, S., Caminal, G., Vicent, T., & Barceló, D. (2017). Fungal treatment for the removal of endocrine disrupting compounds from reverse osmosis concentrate: Identification and monitoring of transformation products of benzotriazoles. Chemosphere, 184, 1054 - 1070. https://doi.org/10.1016/j.chemosphere.2017.06.053

Harris, C.A., Routledge, E.J., Schaffner, C., Brian, J.V., Giger, W., & Sumpter, J.P. (2007). Benzotriazole is antiestrogenic in vitro but not in vivo. Environ. Toxicol. Chem., 26(11), 2367 - 2372. https://doi.org/10.1897/06-587R.1

Wu, S., Jia, A., Daniels, K.D., Park, M., & Snyder, S.A. (2019). Trace analysis of corticosteroids (CSs) in environmental waters by liquid chromatography–tandem mass spectrometry. Talanta, 195, 830 - 840. https://doi.org/10.1016/j.talanta.2018.11.113

Writer, J.H., Ferrer, I., Barber, L.B., & Thurman, E.M. (2013). Widespread occurrence of neuro-active pharmaceuticals and metabolites in 24 Minnesota rivers and wastewaters. Sci. Total Environ., 461–462, 519 -527. https://doi.org/10.1016/j.scitotenv.2013.04.099

Osawa, R.A., Carvalho, A.P., Monteiro, O.C., Oliveira, M.C., & Florêncio, M.H. (2019). Degradation of duloxetine: Identification of transformation products by UHPLC-ESI(+)-HRMS/MS, in silico toxicity and wastewater analysis. Journal of Environmental Sciences, 82, 113 - 123. https://doi.org/10.1016/j.jes.2019.02.025

González-Mariño, I., Rodríguez, I., Rojo, L., & Cela, R. (2018). Photodegradation of nitenpyram under UV and solar radiation: Kinetics, transformation products identification and toxicity prediction. Science of The Total Environment, 644, 995 - 1005. https://doi.org/10.1016/j.scitotenv.2018.06.318

Aregahegn, K.Z., Ezell, M.J., & Finlayson-Pitts, B.J. (2018). Photochemistry of solid films of the neonicotinoid Nitenpyram. Environ. Sci. Technol., 52, 2760 - 2767.

https://doi.org/10.1021/acs.est.7b06011

Schuetzie, D., & Lewtas, J. (1986). Bioassay-directed chemical analysis in environmental research. Anal.Chem., 58(11), 1060 - 1075. https://doi.org/10.1021/ac00124a001

Manvelova, N.E., Sergienko, E.G., Chenib, I.T., Khramova, L.V., Volf, I.V., El’nitskaya, Z.P., Savelieva, E.I. & Sinyakova, M.A. (2003). The chemical composition and toxicity of wastewater produced by the chemical-thermomechanical mass. Zhurnal prikladnoi khimii = Journal of Applied Chemistry, 76 (5), 795 - 799 (in Russ.).

Brenner-Weiss, G., & Obst, U. (2003). Approaches to bioresponse-linked instrumental analysis in water analysis. Anal. Bioanal. Chem., 377, 408 - 416. https://doi.org/10.1007/s00216-003-2162-0

Brodsky, E.S., & Klyuev, P.A. (1994). Determination of organic pollutants in the environment using a combination of gas chromatography and mass spectrometry. Zhurnal ekologicheskoi khimii = Journal of Environmental Chemistry, 1, 1 - 9 (in Russ.).

Brack, W., Kind, T., Hollert, H., Schrader, S., & Moder, M. (2003). Sequential fractionation procedure for the identification of potentially cytochrome P4501A-inducing compounds. J. Chromatogr. A., 986(1), 55 - 66. https://doi.org/10.1016/S0021-9673(02)01909-X

Bobeldijk, I., Stoks, P.G.M., Vissers, J.P.C., Emke, E., Leerdam, J.A. van, Muilwijk, B., Berbee, R., & Noij, T.H.M. (2002). Surface and wastewater quality monitoring: combination of liquid chromatography with (geno)toxicity detection, diode array detection and tandem mass spectrometry for identification of pollutants. J. Chromatogr. A, 970(1-2), 167-181. https://doi.org/10.1016/S0021-9673(02)00398-9

U.S. Environmental Protection Agency. 1991. Methods for aquatic toxicity identification evaluations. Phase I toxicity characterization procedures. EPA-600/6-91/0303. Office of Research and Development, Duluth, MN.

U.S. Environmental Protection Agency. 1993. Methods for aquatic toxicity identification evaluations: Phase II toxicity identification procedures for samples exhibiting acute and chronic toxicity.EPA-600/R-92/080. Office of Research and Development, Duluth, MN.

U.S. Environmental Protection Agency. 1993. Methods for aquatic toxicity identification evaluations: Phase III toxicity confirmation procedures for samples exhibiting acute and chronic toxicity. EPA-600/R-92/081. Office of Research and Development, Duluth, MN.

Blackwell, B.R., Ankley, G.T., Corsi, S.R., Decicco, L.A., Houck, K.A., Judson, R.S., Li, S., Martin, M.T., Murphy, E., Schroeder, A.L., Smith, E.R., Swintek, J., & Villeneuve, D.L. (2017). An“eAR” on environmental surveillance and monitoring: a case study on the use of exposure-activity ratios (EARs) to prioritize sites, chemicals, and bioactivities of concern in Great Lakes waters. Environ. Sci. Technol., 51, 8713 - 8724. https://doi.org/10.1021/acs.est.7b01613

Hock, B. (2001). Bioresponse-linked instrumental analysis. Wiesbaden: Vieweg+Teubner Verlag.

Sharom, M.S, & Solomon, K.R. (1981). Adsorption and desorption of permethrin and other pesticides on glass and plastic materials used in bioassay procedures. Can. J. Fish. Aquat. Sci., 38(2), 199 - 204. https://doi.org/10.1139/f81-026

Bailey, H.C., Miller, J.L, Miller, M.J, & Dhaliwal, B.S. (1995). Application of toxicity identification procedures to the echinoderm fertilization assay to identify toxicity in municipal effluent. Environ. Toxicol. Chem., 14(12), 2181 - 2186. https://doi.org/10.1002/etc.5620141223

Bailey, H.C., DiGiorgio, C., Kroll, K., Miller, J.L., Hinton, D.E., & Starrett, G. (1996). Development of procedures for identifying pesticide toxicity in ambient waters: Carbofuran, diazinon, chlorpyrifos. Environmental Toxicology and Chemistry, 15(6), 837 - 845. https://doi.org/10.1002/etc.5620150604

Ben-Israel, O., Ben-Israel, H., &Ulitzur, S. (1998). Identification and Quantification of Toxic Chemicals by Use of Escherichia coli Carrying lux Genes Fused to Stress Promoters. Applied and Environmental Microbiology, 64(11), 4346 - 4352.

Chemical-analytical and sanitary-chemical control of main decomposition products of organophosphorus toxic substances. Methodology guidelines. MUK 4.1-04.2004 (in Russ.).

Rembovsky, V.R., Ermolaeva, E.E., Savelyeva, E.I., Goncharov, N.V., Tsibulskaya, E.A., Koryagina, N.L., Khlebnikova, N.S., & Tsimbal, F.A. (2007). Toxicological and hygienic hazard assessment of the waste of the former enterprises for the production and use of toxic substances. Rossiiskii Khim. Zhurnal = Russian Journal of General Chemistry, 2, 77 - 82 (in Russ.).

Aalizadeh, R., Nika, M.-C., & Thomaidis, N.S. (2019). Development and application of retention time prediction models in the suspect and non-target screening of emerging contaminants. Journal of Hazardous Materials, 363, 277 - 285. https://doi.org/10.1016/j.jhazmat.2018.09.047

Decourtye, A., & Devillers, J. (2010). Ecotoxicity of neonicotinoid insecticides to bees. Insect Nicotinic Acetylcholine Receptors. Advances in Experimental Medicine and Biology, 683, 85 - 95. New York: Springer. https://doi.org/10.1007/978-1-4419-6445-8_8

Worth, A.P., van Leeuwen, C.J., & Hartung, T. (2004). The prospects for using (Q)SARs in a changing political environment: high expectations and a key role for the Commission's Joint Research Centre. SAR QSAR Environ. Res., 15(5–6), 331 - 343. https://doi.org/10.1080/10629360412331297371

Danforth, C., Chiu, W.A., Rusyn, I., Schultz, K., Bolden, A., Kwiatkowski, C., & Craft, E. (2020). An integrative method for identification and prioritization of constituents of concern in produced water from onshore oil and gas extraction. Environment International, 134, 105280. https://doi.org/10.1016/j.envint.2019.105280

Guillén, D., Ginebreda, A., Farré, M., Darbra, R.M., Petrovic, M., Gros, M., & Barceló, D. (2012). Prioritization of chemicals in the aquatic environment based on risk assessment: Analytical, modeling and regulatory perspective. Science of The Total Environment, 440, 236 - 252. https://doi.org/10.1016/j.scitotenv.2012.06.064

Dopp, E., Pannekens, H., Itzel, F., & Tuerk, J. (2019). Effect-based methods in combination with state-of-the-art chemical analysis for assessment of water quality as integrated approach. International Journal of Hygiene and Environmental Health, 222(4), 607 - 614. https://doi.org/10.1016/j.ijheh.2019.03.001

Petrovic, M., Farre, M., Lopez de Alda, M., Perez, S., Postigo, C., Kock, 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, 4004 - 4017. https://doi.org/10.1016/j.chroma.2010.02.059

Krauss, M., Singer, H., & Hollender, J. (2010). LC-high resolution MS in environmental analysis: from target screening to the identification of unknowns. Anal.Bioanal. Chem., 397, 943 - 951. https://doi.org/10.1007/s00216-010-3608-9

Hernandez, F., Sancho, J.V., Ibanez, M., Abad, E., Portoles, T., & Mattioli, L. (2012). Current use of high-resolution mass spectrometry in the environmental sciences. Anal. Bioanal. Chem., 403, 1251 - 1264. https://doi.org/10.1007/s00216-012-5844-7

Farre, M., Kantiani, L., Petrovic, M., Perez, S., & Barcelo, D. (2012). Achievements and future trends in the analysis of emerging organic contaminants in environmental samples by mass spectrometry and bioanalytical techniques. J. Chromatogr. A, 1259, 86 - 99. https://doi.org/10.1016/j.chroma.2012.07.024

Nunez, O., Gallart-Ayala, H., Martins, C.P.B., & Lucci, P. (2012). New trends in fast liquid chromatography for food and environmental analysis. J. Chromatogr. A, 1228, 298 - 323. https://doi.org/10.1016/j.chroma.2011.10.091

Berton, P., Lana, N.B., Ríos, J.M., García-Reyes, J.F., & Altamirano, J.C. (2016). State of the art of environmentally friendly sample preparation approaches for determination of PBDEs and metabolites in environmental and biological samples:a critical review. Anal. Chim. Acta, 905, 24 - 41. https://doi.org/10.1016/j.aca.2015.11.009

LaFarre, M., Perez, S., Kantiani, L., & Barcelo, D. (2008). Fate and toxicity of emerging pollutants, their metabolites and transformation products in the aquatic environment. TrAC-Trends Anal. Chem., 27(11), 991 - 1007. https://doi.org/10.1016/j.trac.2008.09.010

Published
2020-06-28
How to Cite
Savelieva, E. I., Leninskiy, M. A., & Vasilieva, I. A. (2020). Modern analytical approaches for chemical safety control - a review. Chemical Safety Science, 4(1), 8 - 30. https://doi.org/10.25514/CHS.2020.1.17001
Section
Indication and identification of hazardous substances