New way to quantify multiple steroidal compounds in wastewater by comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry
| Autor: | Marja-Liisa Riekkola, Matias Kopperi, Janne Hukkinen, Jose Ruiz-Jimenez |
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| Rok vydání: | 2012 |
| Předmět: |
Analytical chemistry
010501 environmental sciences Wastewater Mass spectrometry 01 natural sciences Biochemistry Sensitivity and Specificity Gas Chromatography-Mass Spectrometry Analytical Chemistry Chemometrics Partial least squares regression Environmental Chemistry Sample preparation Least-Squares Analysis Spectroscopy 0105 earth and related environmental sciences Chromatography Chemistry 010401 analytical chemistry 6. Clean water 0104 chemical sciences Mass spectrum Kovats retention index Steroids Gas chromatography Time-of-flight mass spectrometry Water Pollutants Chemical |
| Zdroj: | Analytica chimica acta. 761 |
| ISSN: | 1873-4324 |
| Popis: | The applicability of comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry to the screening of steroidal compounds in wastewater is demonstrated. Advanced software was utilized to identify unknown compounds in complex two-dimensional chromatograms exploiting retention indices and two different mass spectral databases. Response factors calculated as a function of the individual mass spectra of six commercial standards at different concentrations were used to develop a model allowing the quantitation of all steroidal compounds identified in the sample. The model, based on partial least squares regression equations, provided good accuracy (prediction error < 16%) in the quantitation of steroidal compounds, so offering a valuable alternative to conventional quantitation methods where reference compounds are required for the verification of analytical measurements. Special attention was paid to the development of an exhaustive sample preparation method for the separate analysis of conjugated and free steroids in both water phase and suspended solid particles. The method, including the exploitation of chemometrics, was successfully applied to the determination of steroidal compounds in effluent and influent waters collected at a local wastewater treatment plant. |
| Databáze: | OpenAIRE |
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