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Jönsson, Sofie
Publications (10 of 11) Show all publications
Jönsson, S., Hagberg, J. & van Bavel, B. (2008). Determination of 2,4,6-trichloroanisole and 2,4,6-tribromoanisole in wine using microextraction in packed syringe and gas chromatography-mass spectrometry. Journal of Agricultural and Food Chemistry, 56(13), 4962-4967
Open this publication in new window or tab >>Determination of 2,4,6-trichloroanisole and 2,4,6-tribromoanisole in wine using microextraction in packed syringe and gas chromatography-mass spectrometry
2008 (English)In: Journal of Agricultural and Food Chemistry, ISSN 0021-8561, E-ISSN 1520-5118, Vol. 56, no 13, p. 4962-4967Article in journal (Refereed) Published
Abstract [en]

A selective and fast method for the quantitative determination of 2,4,6-trichloroanisole (TCA) and 2,4,6-tribromoanisole (TBA) in wine was developed. Microextraction in packed syringe (MEPS) was optimized for the extraction and preconcentration of the analytes using extremely small volume samples (0.1-1 mL). For GC-EI-MS, the limit of detection (LOD) for red and white wine was in the range 0.17-0.49 mu g L-1 for TCA and TBA. In addition to GC-EI-MS both GC-NCI-MS and GC-HRMS were used to further improve both selectivity and sensitivity. The lowest LODs were achieved using GC-HRMS in the El mode. In red and white wine samples the LODs were between 0.22-0.75 ng L-1 for TCA and TBA. The reproducibility and linearity for the GC-HRMS method was good, with RSD-values of 4-10% for spiked red wine samples at 1 ng L-1 and linearity with R-2 > 0.962 over a concentration range of 1 to 100 ng L-1.

Keywords
microextraction in packed syringe, microextraction in packed sorbent, 2, 4, 6-trichloroanisole, 2, 4, 6-tribromoanisole, wine, gas chromatography-negative chemical ionization mass spectrometry, gas chromatography-high-resolution mass spectrometry
National Category
Chemical Sciences
Research subject
Chemistry
Identifiers
urn:nbn:se:oru:diva-13578 (URN)10.1021/jf800230y (DOI)000257335400011 ()
Available from: 2011-01-19 Created: 2011-01-12 Last updated: 2017-12-11Bibliographically approved
Jönsson, S., Hagberg, J., Lahoutifard, N. & van Bavel, B. (2008). Microextraction by packed sorbent: a new technique for the analysis of small brominated and chlorinated aromatic compounds. In: Organohalogen Compounds: . Paper presented at Dioxin 2008, 28th International Symposium on Halogenated Persistent Organic Pollutants (POPs), Birmingham, England, August 17-22, 2008 (pp. 2200-2203). , 70
Open this publication in new window or tab >>Microextraction by packed sorbent: a new technique for the analysis of small brominated and chlorinated aromatic compounds
2008 (English)In: Organohalogen Compounds, 2008, Vol. 70, p. 2200-2203Conference paper, Published paper (Refereed)
National Category
Chemical Sciences
Research subject
Chemistry
Identifiers
urn:nbn:se:oru:diva-43690 (URN)
Conference
Dioxin 2008, 28th International Symposium on Halogenated Persistent Organic Pollutants (POPs), Birmingham, England, August 17-22, 2008
Available from: 2015-03-17 Created: 2015-03-17 Last updated: 2017-10-17Bibliographically approved
Jönsson, S. (2008). Microextraction for usage in environmental monitoring and modelling of nitroaromatic compounds and haloanisoles. (Doctoral dissertation). Örebro: Örebro universitet
Open this publication in new window or tab >>Microextraction for usage in environmental monitoring and modelling of nitroaromatic compounds and haloanisoles
2008 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Processes in the environment are often complex and the description and prediction of the behaviour of environmental pollutants requires sophisticated methodology including multidimensional technology. Multivariate statistical methods including principal component analysis (PCA) and partial least squares projection to latent structures (PLS) were used to characterise several nitroaromatic compounds according to a large number of chemical and physical properties. These descriptors were derived from databases and semi-empirical, empirical and quantum-chemical calculations. A model was calculated and used for prediction of experimentally determined relevant environmental parameters, including volatility through gas chromatographic retention times and the distribution between air and water phase using solid-phase microextraction measurements. Analytical microextraction techniques are very well suited for both monitoring and measuring relevant environmental properties. Two such methods, solid-phase microextraction (SPME) and microextraction by packed syringe (MEPS), which are both faster and less resource demanding than traditional methodology, were used to improve the analysis of nitroaromatic compound and haloanisoles. Both techniques showed few interfering compounds and good reproducibility in combination with GC-MS detection. The reproducibility for SPME and MEPS was further enhanced by the usage of isotopically labelled internal standards (nitroaromatic compounds) or internal standards with similar chemical properties as the analytes (haloanisoles).

The SPME method for nitroaromatic compounds was tested using industrial wastewater from a wastewater treatment facility receiving input from several nitrogen based industries. Using gas chromatography-negative chemical ionisation-mass spectrometry(GC-NCI-MS) as the final detection, limits of detection (LODs) in the range 0.02–38 ng L−1 were achieved. Results for the 2,4,6-TCA (TCA) and 2,4,6-TBA (TBA) using high resolution GC-MS were even more impressive obtaining LODs in the range 0.02-0.03 ng L-1, which are currently the lowest reported in the international literature. Although the newly developed MEPS technology is generally faster than SPME, similar LODs as for SPME could not yet be achieved. Both methods were found to be so sensitive that TCA and TBA could be detected in wine before it could be sensorically noticed as cork tainted.

Place, publisher, year, edition, pages
Örebro: Örebro universitet, 2008. p. 58
Series
Örebro Studies in Chemistry, ISSN 1651-4270 ; 9
Keywords
PCA, PLS, QSPR, SPME, MEPS, nitroaromatic compounds, TCA, TBA
National Category
Chemical Sciences
Research subject
Chemistry
Identifiers
urn:nbn:se:oru:diva-1786 (URN)978-91-7668-582-2 (ISBN)
Public defence
2008-03-07, Bion, Forumhuset, Örebro universitet, Örebro, 10:00
Opponent
Supervisors
Available from: 2008-02-15 Created: 2008-02-15 Last updated: 2017-10-18Bibliographically approved
Jönsson, S., Eriksson, L. A. & van Bavel, B. (2008). Multivariate characterisation and quantitative structure-property relationship modelling of nitroaromatic compounds. Analytica Chimica Acta, 621(2), 155-162
Open this publication in new window or tab >>Multivariate characterisation and quantitative structure-property relationship modelling of nitroaromatic compounds
2008 (English)In: Analytica Chimica Acta, ISSN 0003-2670, E-ISSN 1873-4324, Vol. 621, no 2, p. 155-162Article in journal (Refereed) Published
Abstract [en]

A multivariate model to characterise nitroaromatics and related compounds based on molecular descriptors was calculated. Descriptors were collected from literature and through empirical, semi-empirical and density functional theory-based calculations. Principal components were used to describe the distribution of the compounds in a multidimensional space. Four components described 76% of the variation in the dataset. PC1 separated the compounds due to molecular weight, PC2 separated the different isomers, PC3 arranged the compounds according to different functional groups such as nitrobenzoic acids, nitrobenzenes, nitrotoluenes and nitroesters and PC4 differentiated the compounds containing chlorine from other compounds. Quantitative structure-property relationship models were calculated using partial least squares (PLS) projection to latent structures to predict gas chromatographic (GC) retention times and the distribution between the water phase and air using solid-phase microextraction (SPME). GC retention time was found to be dependent on the presence of polar amine groups, electronic descriptors including highest occupied molecular orbital, dipole moments and the melting point. The model of GC retention time was good, but the precision was not precise enough for practical use. An important environmental parameter was measured using SPME, the distribution between headspace (air) and the water phase. This parameter was mainly dependent on Henry's law constant, vapour pressure, logP, content of hydroxyl groups and atmospheric OH rate constant. The predictive capacity of the model substantially improved when recalculating a model using these five descriptors only.

Place, publisher, year, edition, pages
Amsterdam: Elsevier, 2008
National Category
Natural Sciences Chemical Sciences
Research subject
Chemistry
Identifiers
urn:nbn:se:oru:diva-5296 (URN)10.1016/j.aca.2008.05.037 (DOI)18573379 (PubMedID)
Available from: 2009-02-03 Created: 2009-02-03 Last updated: 2017-12-14Bibliographically approved
Jönsson, S., Gustavsson, L. & van Bavel, B. (2007). Analysis of nitroaromatic compounds in complex samples using solid-phase microextraction and isotope dilution quantification gas chromatography-electron-capture negative ionisation mass spectrometry. Journal of Chromatography A, 1164(1-2), 65-73
Open this publication in new window or tab >>Analysis of nitroaromatic compounds in complex samples using solid-phase microextraction and isotope dilution quantification gas chromatography-electron-capture negative ionisation mass spectrometry
2007 (English)In: Journal of Chromatography A, ISSN 0021-9673, E-ISSN 1873-3778, Vol. 1164, no 1-2, p. 65-73Article in journal (Refereed) Published
Abstract [en]

A solid-phase microextraction (SPME) method using gas chromatography–electron-capture negative ionisation mass spectrometry (GC–ECNI-MS) and isotope dilution quantification for the analysis of nitroaromatic compounds in complex, water based samples has been optimised. For ionisation, ECNI was the most sensitive and selective method. SPME was compared to solid-phase extraction (SPE) and found to be more sensitive for these small volume samples. LODs were in the range 0.02–38 ng L−1 for SPME and 6–184 ng L−1 for SPE, respectively. The SPME method was applied on samples in the ng L−1 level from artificial reed beds treated with sludge containing residues from explosives and pharmaceuticals.

Place, publisher, year, edition, pages
Amsterdam: Elsevier, 2007
National Category
Natural Sciences Chemical Sciences
Research subject
Chemistry
Identifiers
urn:nbn:se:oru:diva-2905 (URN)10.1016/j.chroma.2007.07.023 (DOI)
Available from: 2008-02-15 Created: 2008-02-15 Last updated: 2017-12-14Bibliographically approved
Gustavsson, L., Hollert, H., Jönsson, S., van Bavel, B. & Engwall, M. (2007). Reed beds receiving industrial sludge containing nitroaromatic compounds: Effects of outgoing water and bed material extracts in the umu-c genotoxicity assay, DR-CALUX assay and on early life stage development in Zebrafish (Danio rerio). Environmental science and pollution research international, 14(3), 202-211
Open this publication in new window or tab >>Reed beds receiving industrial sludge containing nitroaromatic compounds: Effects of outgoing water and bed material extracts in the umu-c genotoxicity assay, DR-CALUX assay and on early life stage development in Zebrafish (Danio rerio)
Show others...
2007 (English)In: Environmental science and pollution research international, ISSN 0944-1344, E-ISSN 1614-7499, Vol. 14, no 3, p. 202-211Article in journal (Refereed) Published
Abstract [en]

Goal, Scope and Background:  Sweden has prohibited the deposition of organic waste since January, 2005. Since 1 million tons of sludge is produced every year in Sweden and the capacity for incineration does not fill the demands, other methods of sludge management have to be introduced to a larger degree. One common method in the USA and parts of Europe is the use of wetlands to treat wastewater and sewage sludge. The capacity of reed beds to affect the toxicity of a complex mixture of nitroaromatics in sludge, however, is not fully elucidated. In this study, an industrial sludge containing explosives and pharmaceutical residues was therefore treated in artificial reed beds and the change in toxicity was studied. Nitroaromatic compounds, which are the main ingredients of many pharmaceuticals and explosives, are well known to cause cytotoxicity and genotoxicity. Recently performed studies have also showed that embryos of zebrafish (Danio rerio) are sensitive to nitroaromatic compounds. Therefore, we tested the sludge passing through constructed wetlands in order to detect any changes in levels of embryotoxicity, genotoxicity and dioxin-like activity (AhR-agonists). We also compared unplanted and planted systems in order to examine the impact of the root system on the fate of the toxicants. Methods:  An industrial sludge containing a complex mixture of nitroaromatics was added daily to small-scale constructed wetlands (vertical flow), both unplanted and planted with Phragmites australis. Sludge with an average dry weight of 1.25%, was added with an average hydraulic loading rate of 1.2 L/day. Outgoing water was collected daily and stored at −20°C. The artificial wetland sediment was Soxhlet extracted, followed by clean-up with multi-layer silica, or extracted by ultrasonic treatment, yielding one organic extract and one water extract of the same sample. Genotoxicity of the extracts was measured according to the ISO protocol for the umu-C genotoxicity assay (ISO/TC 147/SC 5/WG9 N8), using Salmonella typhimurium TA1535/pSK1002 as test organism. Embryotoxicity and teratogenicity were studied using the fish egg assay with zebrafish (Danio rerio) and the dioxin-like activity was measured using the DR-CALUX assay. Chemical analyses of nitroaromatic compounds were performed using Solid Phase Micro Extraction (SPME) and GC-MS. Results:  Organic extracts of the bed material showed toxic potential in all three toxicity tests after two years of sludge loading. There was a difference between the planted and the unplanted beds, where the toxicity of organic extracts overall was higher in the bed material from the planted beds. The higher toxicity of the planted beds could have been caused by the higher levels of total carbon in the planted beds, which binds organic toxicants, and by enrichment caused by lower volumes of outgoing water from the planted beds. Discussion:  Developmental disorders were observed in zebrafish exposed directly in contact to bed material from unplanted beds, but not in fish exposed to bed material from planted beds. Hatching rates were slightly lower in zebrafish exposed to outgoing water from unplanted beds than in embryos exposed to outgoing water from planted beds. Genotoxicity in the outgoing water was below detection limit for both planted and unplanted beds. Most of the added toxicants via the sludge were unaccounted for in the outgoing water, suggesting that the beds had toxicant removal potential, although the mechanisms behind this remain unknown. Conclusions:  During the experimental period, the beds received a sludge volume (dry weight) of around three times their own volume. In spite of this, the toxicity in the bed material was lower than in the sludge. Thus, the beds were probably able to actually decrease the toxicity of the added, sludge-associated toxicants. When testing the acetone extracts of the bed material, the planted bed showed a higher toxicity than the unplanted beds in all three toxicity tests. The toxicity of water extracts from the unplanted beds, detected by the fish egg assay, were higher than the water extracts from the planted beds. No genotoxicity was detected in outgoing water from either planted or unplanted beds. All this together indicates that the planted reed beds retained semi-lipophilic acetone-soluble toxic compounds from the sludge better than the unplanted beds, which tended to leak out more of the water soluble toxic compounds in the outgoing water. The compounds identified by SPME/GC in the outgoing water were not in sufficient concentrations to have caused induction in the genotoxicity test. Recommendations and Perspectives:  This study has pointed out the benefits of using constructed wetlands receiving an industrial sludge containing a complex mixture of nitroaromatics to reduce toxicity in the outgoing water. The water from planted, constructed wetlands could therefore be directed to a recipient without further cleaning. The bed material should be investigated over a longer period of time in order to evaluate potential accumulation and leakage prior to proper usage or storage. The plants should be investigated in order to examine uptake and possible release when the plant biomass is degraded.

Place, publisher, year, edition, pages
Berlin: Springer, 2007
Keywords
Animals, Biodegradation; Environmental, Gas Chromatography-Mass Spectrometry, Industrial Waste, Mutagenicity Tests, Nitrogen Compounds/chemistry/metabolism/*toxicity, Ovum/drug effects/growth & development, Plants/metabolism, Salmonella typhimurium/drug effects/genetics, Sewage/*chemistry, Sweden, Water Movements, Water Pollutants; Chemical/chemistry/metabolism/*toxicity, Water Purification, Wetlands, Zebrafish/*embryology
National Category
Environmental Sciences Natural Sciences Environmental Sciences
Research subject
miljökemi
Identifiers
urn:nbn:se:oru:diva-4719 (URN)10.1065/espr2006.11.360 (DOI)17561780 (PubMedID)
Available from: 2008-11-12 Created: 2008-11-12 Last updated: 2017-12-14Bibliographically approved
Jönsson, S., Uusitalo, T., van Bavel, B., Gustafsson, I.-B. & Lindström, G. (2006). Determination of 2,4,6-trichloroanisole and 2,4,6-tribromoanisole on ng L-1 to pg L-1 levels in wine by soild-phase microextraction and gas chromatography-high-resolution mass spectrometry. Journal of Chromatography A, 1111(1), 71-75
Open this publication in new window or tab >>Determination of 2,4,6-trichloroanisole and 2,4,6-tribromoanisole on ng L-1 to pg L-1 levels in wine by soild-phase microextraction and gas chromatography-high-resolution mass spectrometry
Show others...
2006 (English)In: Journal of Chromatography A, ISSN 0021-9673, E-ISSN 1873-3778, Vol. 1111, no 1, p. 71-75Article in journal (Refereed) Published
Abstract [en]

A gas chromatography-high-resolution mass spectrometry (GC-HRMS) method using solid-phase microextraction (SPME) for the determination of 2,4,6-trichloroanisole (TCA) and 2,4,6-tribromoanisole (TBA) in wine at low ng L−1 levels was developed. A robust SPME method was developed by optimizing several different parameters, including type of fiber, salt addition, sample volume, extraction and desorption time. The quantification limit for TCA and TBA in wine was lowered substantially using GC-HRMS in combination with the optimized SPME method and allowed the detection of low analyte concentrations (ng L−1) with good accuracy. Limits of quantification for red wine of 0.3 ng L−1 for TCA and 0.2 ng L−1 for TBA with gas chromatography-negative chemical ionization mass spectrometry and 0.03 ng L−1 for TCA and TBA were achieved using GC-HRMS. The method was applied to 30 wines of which 4 wines were sensorically qualified as cork defected. TCA was found in three of these wines with concentrations in the range 2–25 ng L−1. TBA was not detected in any of the samples.

National Category
Chemical Sciences
Research subject
Chemistry
Identifiers
urn:nbn:se:oru:diva-2906 (URN)10.1016/j.chroma.2006.01.096 (DOI)
Available from: 2008-02-15 Created: 2008-02-15 Last updated: 2017-12-14Bibliographically approved
Jönsson, S., Hagberg, J. & van Bavel, B. Determination of 2,4,6-trichloroanisole and 2,4,6-tribromoanisole in wine using microextraction in packed syringe and gas chromatography mass spectrometry.
Open this publication in new window or tab >>Determination of 2,4,6-trichloroanisole and 2,4,6-tribromoanisole in wine using microextraction in packed syringe and gas chromatography mass spectrometry
(English)Manuscript (preprint) (Other academic)
National Category
Chemical Sciences
Research subject
Chemistry
Identifiers
urn:nbn:se:oru:diva-2907 (URN)
Available from: 2008-02-15 Created: 2008-02-15 Last updated: 2017-10-18Bibliographically approved
Jönsson, S., Eriksson, L. A. & van Bavel, B.Multivariate characterisation of nitroaromatic compounds.
Open this publication in new window or tab >>Multivariate characterisation of nitroaromatic compounds
(English)Manuscript (preprint) (Other academic)
National Category
Chemical Sciences
Research subject
Chemistry
Identifiers
urn:nbn:se:oru:diva-15586 (URN)
Available from: 2011-05-16 Created: 2011-05-16 Last updated: 2017-10-17Bibliographically approved
Suèr, P., Jönsson, S. & Allard, B.Natural organic matter to enhance electrokinetic transport of PAH.
Open this publication in new window or tab >>Natural organic matter to enhance electrokinetic transport of PAH
(English)Manuscript (preprint) (Other academic)
National Category
Chemical Sciences
Research subject
Enviromental Science
Identifiers
urn:nbn:se:oru:diva-16001 (URN)
Available from: 2011-06-17 Created: 2011-06-17 Last updated: 2017-10-17Bibliographically approved
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