The DOI matches its Crossref record; 6 of the 6 references it cites were found in a registry or an index.
Extended Suspect and Non-Target Strategies to Characterize Emerging Polar Organic Contaminants in Raw Wastewater with LC-HRMS/MS
Open accessAbstract
An integrated workflow based on liquid chromatography coupled to a quadrupole-time-of-flight mass spectrometer (LC-QTOF-MS) was developed and applied to detect and identify suspect and unknown contaminants in Greek wastewater. Tentative identifications were initially based on mass accuracy, isotopic pattern, plausibility of the chromatographic retention time and MS/MS spectral interpretation (comparison with spectral libraries, in silico fragmentation). Moreover, new specific strategies for the identification of metabolites were applied to obtain extra confidence including the comparison of diurnal and/or weekly concentration trends of the metabolite and parent compounds and the complementary use of HILIC. Thirteen of 284 predicted and literature metabolites of selected pharmaceuticals and nicotine were tentatively identified in influent samples from Athens and seven were finally confirmed with reference standards. Thirty four nontarget compounds were tentatively identified, four were also confirmed. The sulfonated surfactant diglycol ether sulfate was identified along with others in the homologous series (SO4C2H4(OC2H4)xOH), which have not been previously reported in wastewater. As many surfactants were originally found as nontargets, these compounds were studied in detail through retrospective analysis.
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Citations
Cites
Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating Confidence
Schymanski, E. L., Jeon, J., Gulde, R., Fenner, K., Ruff, M., Singer, H. P., & Hollender, J. (2014) · Environmental Science & Technology · doi:10.1021/es5002105 · Cited by 4,519
Self-citationKind, T., & Fiehn, O. (2007) · BMC Bioinformatics · doi:10.1186/1471-2105-8-105 · Cited by 1,201
Optimization and testing of mass spectral library search algorithms for compound identification
Stein, S. E., & Scott, D. R. (1994) · Journal of the American Society for Mass Spectrometry · doi:10.1016/1044-0305(94)87009-8 · Cited by 882
Krauss, M., Singer, H., & Hollender, J. (2010) · Analytical and Bioanalytical Chemistry · doi:10.1007/s00216-010-3608-9 · Cited by 743 · cited 1×
“The 134 criteria included: (1) subtraction of compounds present in the processed method-procedural 135 blanks and those below a threshold of peak area and intensity, (2) a mass accuracy threshold 136 of 2 mDa and 5 ppm on the monoisotopic peaks, (3) a threshold (≤100 mSigma) for the isotopic 137 pattern fit, where mSi…”
MethodSelf-citationIn silico fragmentation for computer assisted identification of metabolite mass spectra
Wolf, S., Schmidt, S., Müller-Hannemann, M., & Neumann, S. (2010) · BMC Bioinformatics · doi:10.1186/1471-2105-11-148 · Cited by 698
Hug, C., Ulrich, N., Schulze, T., Brack, W., & Krauss, M. (2014) · Environmental Pollution · doi:10.1016/j.envpol.2013.07.048 · Cited by 252
Cited by
Golovko, O., Örn, S., Sörengård, M., Frieberg, K., Nassazzi, W., Lai, F. Y., & Ahrens, L. (2021) · Science of The Total Environment · doi:10.1016/j.scitotenv.2020.142122 · Cited by 275
Gago-Ferrero, P., Bletsou, A. A., Damalas, D. E., Aalizadeh, R., Alygizakis, N. A., Singer, H. P., Hollender, J., & Thomaidis, N. S. (2020) · Journal of Hazardous Materials · doi:10.1016/j.jhazmat.2019.121712 · Cited by 254
Self-citationKnoll, S., Rösch, T., & Huhn, C. (2020) · Analytical and Bioanalytical Chemistry · doi:10.1007/s00216-020-02811-5 · Cited by 91
Rehnstam, S., Czeschka, M.-B., & Ahrens, L. (2023) · Chemosphere · doi:10.1016/j.chemosphere.2023.138925 · Cited by 36
Wilson, E. W., Castro, V., Chaves, R., Espinosa, M., Rodil, R., Quintana, J. B., Vieira, M. N., & Santos, M. M. (2021) · Chemosphere · doi:10.1016/j.chemosphere.2021.129823 · Cited by 25
Metadata
- Authors
- Gago-Ferrero, P., Schymanski, E. L., Bletsou, A. A., Aalizadeh, R., Hollender, J., & Thomaidis, N. S.
- Venue
- Environmental Science & Technology
- Publisher
- American Chemical Society (ACS)
- Published
- 2015-10-07
- Volume
- 49
- Issue
- 20
- Pages
- 12333-12341
- ISSN
- 0013-936X (ISSN-L)
- 1520-5851
- OpenAlex
- W2396142233
- Cited by
- 352
- References
- 6
- FWCI
- 14.80
- Type
- journal article
- Language
- en
- Open access
- green
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- The paper
- Gago-Ferrero, P., Schymanski, E. L., Bletsou, A. A., Aalizadeh, R., Hollender, J., & Thomaidis, N. S. (2015). Extended Suspect and Non-Target Strategies to Characterize Emerging Polar Organic Contaminants in Raw Wastewater with LC-HRMS/MS. Environmental Science & Technology. https://doi.org/10.1021/acs.est.5b03454
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
