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Veenaas, C., Ripszam, M. & Haglund, P. (2020). Analysis of volatile organic compounds in indoor environments using thermal desorption with comprehensive two-dimensional gas chromatography and high-resolution time-of-flight mass spectrometry. Journal of Separation Science
Åpne denne publikasjonen i ny fane eller vindu >>Analysis of volatile organic compounds in indoor environments using thermal desorption with comprehensive two-dimensional gas chromatography and high-resolution time-of-flight mass spectrometry
2020 (engelsk)Inngår i: Journal of Separation Science, ISSN 1615-9306, E-ISSN 1615-9314Artikkel i tidsskrift (Fagfellevurdert) Epub ahead of print
Abstract [en]

Building-related health effects are frequently observed. Several factors have been listed as possible causes including temperature, humidity, light conditions, presence of particulate matter, and microorganisms or volatile organic compounds. To be able to link exposure to specific volatile organic compounds to building-related health effects, powerful and comprehensive analytical methods are required. For this purpose, we developed an active air sampling method that utilizes dual-bed tubes loaded with TENAX-TA and Carboxen-1000 adsorbents to sample two parallel air samples of 4 L each. For the comprehensive volatile organic compounds analysis, an automated thermal desorption comprehensive two-dimensional gas chromatography high-resolution time-of-flight mass spectrometry method was developed and used. It allowed targeted analysis of approximately 90 known volatile organic compounds with relative standard deviations below 25% for the vast majority of target volatile organic compounds. It also allowed semiquantification (no matching standards) of numerous nontarget air contaminants using the same data set. The nontarget analysis workflow included peak finding, background elimination, feature alignment, detection frequency filtering, and tentative identification. Application of the workflow to air samples from 68 indoor environments at a large hospital complex resulted in a comprehensive volatile organic compound characterization, including 178 single compounds and 13 hydrocarbon groups.

sted, utgiver, år, opplag, sider
Wiley-VCH Verlagsgesellschaft, 2020
Emneord
comprehensive screening, indoor air, method development, thermal desorption, volatile organic compounds
HSV kategori
Identifikatorer
urn:nbn:se:umu:diva-169065 (URN)10.1002/jssc.201901103 (DOI)000517355900001 ()32052921 (PubMedID)
Tilgjengelig fra: 2020-03-19 Laget: 2020-03-19 Sist oppdatert: 2020-03-19
Veenaas, C., Ripszam, M., Glas, B., Liljelind, I., Claeson, A.-S. & Haglund, P. (2020). Differences in chemical composition of indoor air in rooms associated / not associated with building related symptoms. Science of the Total Environment, 720, Article ID 137444.
Åpne denne publikasjonen i ny fane eller vindu >>Differences in chemical composition of indoor air in rooms associated / not associated with building related symptoms
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2020 (engelsk)Inngår i: Science of the Total Environment, ISSN 0048-9697, E-ISSN 1879-1026, Vol. 720, artikkel-id 137444Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

Building related health effects or symptoms (BRS), known also as sick-building syndrome (SBS), are a phenomenon that is not well understood. In this study, air samples from 51 rooms associated with BRS and 34 control rooms were collected on multi-sorbent tubes and analyzed by a non-target approach using comprehensive two-dimensional gas chromatography and high-resolution mass spectrometry techniques. The large amount of data gathered was analyzed using multivariate statistics (principle component analysis (PCA) and partial least squares (PLS)).

This new analysis approach revealed that in rooms where people experienced BRS, petrochemicals and chemicals emitted from plastics were abundant, whereas in rooms where people did not experience BRS, flavor and fragrance compounds were abundant. Among the petrochemicals benzene and 2-butoxyethanol were found in higher levels in rooms where people experienced BRS. The levels of limonene were sometimes in the range of reported odor thresholds, and similarly 3-carene and beta-myrcene were found in higher concentrations in indoor air of rooms where people did not experience BRS. It cannot be ruled out that these compounds may have influenced the perceived air quality. However, the overall variability in air concentrations was large and it was not possible to accurately predict if the air in a particular room could cause BRS or not.

sted, utgiver, år, opplag, sider
Elsevier, 2020
Emneord
Indoor air, Sick building syndrome, Volatile organic compounds, Multivariate data analysis, Principle component analysis, Partial least squares
HSV kategori
Identifikatorer
urn:nbn:se:umu:diva-170483 (URN)10.1016/j.scitotenv.2020.137444 (DOI)000525736600040 ()32325564 (PubMedID)
Forskningsfinansiär
Swedish Research Council Formas, 2014-1229
Tilgjengelig fra: 2020-05-06 Laget: 2020-05-06 Sist oppdatert: 2020-05-07bibliografisk kontrollert
Bidleman, T. F., Andersson, A., Haglund, P. & Tysklind, M. (2020). Will Climate Change Influence Production and Environmental Pathways of Halogenated Natural Products?. Environmental Science and Technology
Åpne denne publikasjonen i ny fane eller vindu >>Will Climate Change Influence Production and Environmental Pathways of Halogenated Natural Products?
2020 (engelsk)Inngår i: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851Artikkel i tidsskrift (Fagfellevurdert) Epub ahead of print
Abstract [en]

Thousands of halogenated natural products (HNPs) pervade the terrestrial and marine environment. HNPs are generated by biotic and abiotic processes and range in complexity from low molecular mass natural halocarbons (nHCs, mostly halomethanes and haloethanes) to compounds of higher molecular mass which often contain oxygen and/or nitrogen atoms in addition to halogens (hHNPs). nHCs have a key role in regulating tropospheric and stratospheric ozone, while some hHNPs bioaccumulate and have toxic properties similar those of anthropogenic-persistent organic pollutants (POPs). Both chemical classes have common sources: biosynthesis by marine bacteria, phytoplankton, macroalgae, and some invertebrate animals, and both may be similarly impacted by alteration of production and transport pathways in a changing climate. The nHCs scientific community is advanced in investigating sources, atmospheric and oceanic transport, and forecasting climate change impacts through modeling. By contrast, these activities are nascent or nonexistent for hHNPs. The goals of this paper are to (1) review production, sources, distribution, and transport pathways of nHCs and hHNPs through water and air, pointing out areas of commonality, (2) by analogy to nHCs, argue that climate change may alter these factors for hHNPs, and (3) suggest steps to improve linkage between nHCs and hHNPs science to better understand and predict climate change impacts.

sted, utgiver, år, opplag, sider
Washington, DC, USA: American Chemical Society (ACS), 2020
Emneord
climate change, halogenated natural products, halocarbons, macroalgae, phytoplankton
HSV kategori
Forskningsprogram
miljövetenskap
Identifikatorer
urn:nbn:se:umu:diva-170868 (URN)10.1021/acs.est.9b07709 (DOI)
Prosjekter
EcoChange
Tilgjengelig fra: 2020-05-16 Laget: 2020-05-16 Sist oppdatert: 2020-06-03
Bidleman, T. F., Andersson, A., Brugel, S., Ericson, L., Haglund, P., Kupryianchyk, D., . . . Tysklind, M. (2019). Bromoanisoles and Methoxylated Bromodiphenyl Ethers in Macroalgae from Nordic Coastal Regions. Environmental Science: Processes & Impacts, 881-892
Åpne denne publikasjonen i ny fane eller vindu >>Bromoanisoles and Methoxylated Bromodiphenyl Ethers in Macroalgae from Nordic Coastal Regions
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2019 (engelsk)Inngår i: Environmental Science: Processes & Impacts, ISSN 2050-7887, E-ISSN 2050-7895, s. 881-892Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

Marine macroalgae are used worldwide for human consumption, animal feed, cosmetics and agriculture. In addition to beneficial nutrients, macroalgae contain halogenated natural products (HNPs), some of which have toxic properties similar to those of well-known anthropogenic contaminants. Sixteen species of red, green and brown macroalgae were collected in 2017–2018 from coastal waters of the northern Baltic Sea, Sweden Atlantic and Norway Atlantic, and analyzed for bromoanisoles (BAs) and methoxylated bromodiphenyl ethers (MeO-BDEs). Target compounds were quantified by gas chromatography-low resolution mass spectrometry (GC-LRMS), with qualitative confirmation in selected species by GC-high resolution mass spectrometry (GC-HRMS). Quantified compounds were 2,4-diBA, 2,4,6-triBA, 2′-MeO-BDE68, 6-MeO-BDE47, and two tribromo-MeO-BDEs and one tetrabromo-MeO-BDE with unknown bromine substituent positions. Semiquantitative results for pentabromo-MeO-BDEs were also obtained for a few species by GC-HRMS. Three extraction methods were compared; soaking in methanol, soaking in methanol–dichloromethane, and blending with mixed solvents. Extraction yields of BAs did not differ significantly (p > 0.05) with the three methods and the two soaking methods gave equivalent yields of MeO-BDEs. Extraction efficiencies of MeO-BDEs were significantly lower using the blend method (p < 0.05). For reasons of simplicity and efficiency, the soaking methods are preferred. Concentrations varied by orders of magnitude among species: ∑2BAs 57 to 57 700 and ∑5MeO-BDEs < 10 to 476 pg g−1 wet weight (ww). Macroalgae standing out with ∑2BAs >1000 pg g−1 ww were Ascophyllum nodosumCeramium tenuicorneCeramium virgatumFucus radicansFucus serratusFucus vesiculosusSaccharina latissimaLaminaria digitata, and Acrosiphonia/Spongomorpha sp. Species A. nodosumC. tenuicorneChara virgataF. radicans and F. vesiculosus (Sweden Atlantic only) had ∑5MeO-BDEs >100 pg g−1ww. Profiles of individual compounds showed distinct differences among species and locations.

sted, utgiver, år, opplag, sider
London: Royal Society of Chemistry, 2019
Emneord
bromoanisoles, methoxylated bromodiphenyl ethers, halogenated natural products, macroalgae, Baltic Sea, Sweden Atlantic, Norway Atlantic
HSV kategori
Forskningsprogram
miljövetenskap
Identifikatorer
urn:nbn:se:umu:diva-158517 (URN)10.1039/C9EM00042A (DOI)000468787800009 ()31032511 (PubMedID)
Prosjekter
EcoChange
Forskningsfinansiär
Swedish Research Council FormasEcosystem dynamics in the Baltic Sea in a changing climate perspective - ECOCHANGE
Tilgjengelig fra: 2019-04-29 Laget: 2019-04-29 Sist oppdatert: 2019-06-17bibliografisk kontrollert
Blum, K. M., Gallampois, C., Andersson, P. L., Renman, G., Renman, A. & Haglund, P. (2019). Comprehensive assessment of organic contaminant removal from on-site sewage treatment facility effluent by char-fortified filter beds. Journal of Hazardous Materials, 361, 111-122
Åpne denne publikasjonen i ny fane eller vindu >>Comprehensive assessment of organic contaminant removal from on-site sewage treatment facility effluent by char-fortified filter beds
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2019 (engelsk)Inngår i: Journal of Hazardous Materials, ISSN 0304-3894, E-ISSN 1873-3336, Vol. 361, s. 111-122Artikkel i tidsskrift (Annet vitenskapelig) Published
Abstract [en]

The removal of organic contaminants from wastewater using cost-efficient and easily accessible methods have been increasingly studied in recent years. Most studies have focused on municipal sewage treatment plants; however, our study investigated treatment with char-fortified filter beds for on-site sewage treatment facilities (OSSFs). OSSFs are commonly used in rural and semi-urban areas all over the world to treat wastewater to reduce eutrophication and water-related diseases. To screen for a wide range of organic contaminants in order to improve the understanding of wastewater treatment efficiency and molecular properties, samples were taken from an OSSF field study site that used three filter types: sand, char-fortified sand, and char-fortified gas concrete. First, we screened for organic contaminants with state-of-the-art gas chromatography and liquid chromatography mass spectrometry-based targeted and untargeted analysis and then we developed quantitative structure-property relationship models to find the key molecular features responsible for the removal of organic contaminants. We identified 74 compounds, of which 24 were confirmed with reference standards. Amongst these 74 compounds were plasticizers, UV stabilizers, fragrances, pesticides, surfactant and polymer impurities, pharmaceuticals and their metabolites, and many biogenic compounds. Sand filters that are sometimes used as a last treatment step in OSSFs can remove hydrophobic contaminants. The addition of biochar significantly increases the removal of these and a few hydrophilic compounds (Wilcoxon signed-rank test, α = 0.05). Gas concrete did not appear to be suitable for the removal of organic contaminants. This study showed that, besides hydrophobic effects, biodegradation is the most important removal pathway in long-term field applications. However, further improvements are necessary to remove very hydrophilic contaminants as they were not removed with sand and biochar-fortified sand.

sted, utgiver, år, opplag, sider
Elsevier, 2019
Emneord
Screening, decentralized wastewater treatment systems, GC×GC-HRMS, LC IM HRMS, biochar, quantitative structure-property relationship
HSV kategori
Identifikatorer
urn:nbn:se:umu:diva-144261 (URN)10.1016/j.jhazmat.2018.08.009 (DOI)000449125800013 ()30176409 (PubMedID)
Forskningsfinansiär
Swedish Research Council Formas, 216-2012-2101
Tilgjengelig fra: 2018-01-29 Laget: 2018-01-29 Sist oppdatert: 2019-10-16bibliografisk kontrollert
Zhang, W., Gago-Ferrero, P., Gao, Q., Ahrens, L., Blum, K. M., Rostvall, A., . . . Renman, G. (2019). Evaluation of five filter media in column experiment on the removal of selected organic micropollutants and phosphorus from household wastewater. Journal of Environmental Management, 246, 920-928
Åpne denne publikasjonen i ny fane eller vindu >>Evaluation of five filter media in column experiment on the removal of selected organic micropollutants and phosphorus from household wastewater
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2019 (engelsk)Inngår i: Journal of Environmental Management, ISSN 0301-4797, E-ISSN 1095-8630, Vol. 246, s. 920-928Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

A bench-scale column experiment was performed to study the removal of 31 selected organic micropollutants (MPs) and phosphorus by lignite, xyloid lignite (Xylit), granular activated carbon (GAC), Polonite (R) and sand over a period of 12 weeks. In total 29 out of the 31 MPs showed removal efficiency > 90% by GAC with an average removal of 97 +/- 6%. Xylit and lignite were less efficient with an average removal of 80 +/- 28% and 68 +/- 29%, respectively. The removal efficiency was found to be impacted by the characterization of the sorbents and physicochemical properties of the compounds, as well as the interaction between the sorbents and compounds. For instance, Xylit and lignite performed well for relatively hydrophobic (log octanol/water partition coefficient (K-ow) >= 3) MPs, while the removal efficiency of moderately hydrophilic, highly hydrophilic and negatively charged MPs were lower. The organic sorbents were found to have more functional groups at their surfaces, which might explain the higher adsorption of MPs to these sorbents. The removal of several MPs improved after four weeks in sand, Xylit, GAC and lignite which may be related to increased biological activity and biofilm development. GAC and sand had limited ability to remove phosphorus (12 +/- 27% and 14 +/- 2%, respectively), while the calcium-silicate material Polonite (R) precipitated phosphorus efficiently and increased the total phosphorus removal from 12% to 96% after the GAC filter.

sted, utgiver, år, opplag, sider
Elsevier, 2019
Emneord
Micropollutant, Phosphorus, Sorbent, Surface functional group, Physicochemical property, Removal mechanism
HSV kategori
Identifikatorer
urn:nbn:se:umu:diva-163652 (URN)10.1016/j.jenvman.2019.05.137 (DOI)000482246700090 ()31279249 (PubMedID)
Tilgjengelig fra: 2019-10-16 Laget: 2019-10-16 Sist oppdatert: 2019-10-16bibliografisk kontrollert
Förlin, L., Asker, N., Töpel, M., Österlund, T., Kristiansson, E., Parkkonen, J., . . . Sturve, J. (2019). mRNA Expression and Biomarker Responses in Perch at a Biomonitoring Site in the Baltic Sea - Possible Influence of Natural Brominated Chemicals. Frontiers in Marine Science, 6, Article ID 316.
Åpne denne publikasjonen i ny fane eller vindu >>mRNA Expression and Biomarker Responses in Perch at a Biomonitoring Site in the Baltic Sea - Possible Influence of Natural Brominated Chemicals
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2019 (engelsk)Inngår i: Frontiers in Marine Science, E-ISSN 2296-7745, Vol. 6, artikkel-id 316Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

Perch (Perca fluviatilis) has been used in biological effect monitoring in a program for integrated coastal fish monitoring at the reference site Kvadofjarden along the Swedish east coast, which is a site characterized by no or minor local anthropogenic influences. Using a set of physiological and biochemical endpoints (i.e., biomarkers), clear time trends for "early warning" signs of impaired health were noted in the perch from this site, possibly as a result of increased baseline pollution. The data sets also showed relatively large variations among years. To identify additional temporal variation in biological parameters, global mRNA expression studies using RNA sequencing was performed. Perch collected in 2010 and 2014 were selected, as they showed variations in several biomarkers, such as the activity of the detoxification enzyme CYP1A (EROD), the plasma levels of vitellogenin, markers for oxidative stress, white blood cells count and gonad sizes. The RNA sequencing study identified approximately 4800 genes with a significantly difference in mRNA expression levels. A gene ontology enrichment analysis showed that these differentially expressed genes were involved in biological processes such as complement activation, iron ion homeostasis and cholesterol biosynthetic process. In addition, differences in immune system parameters and responses to the exposure of toxic substances have now been verified in two different biological levels (mRNA and protein) in perch collected in 2010 and 2014. Markedly higher mRNA expression of the membrane transporter (MATE) and the detoxification enzyme COMT, together with higher concentrations of bioactive naturally produced brominated compounds, such as brominated indoles and carbazoles, seem to indicate that the perch collected in 2014 had been exposed to macro- and microalga blooming to a higher degree than did perch from 2010. These results and the differential mRNA expression between the 2 years in genes related to immune and oxidative stress parameters suggest that attention must be given to algae blooming when elucidating the well-being of the perch at Kvadofjarden and other Baltic coastal sites.

sted, utgiver, år, opplag, sider
Frontiers Media S.A., 2019
Emneord
transcriptomics, biomonitoring, ecotoxicology, biomarkers, perch, brominated chemicals
HSV kategori
Identifikatorer
urn:nbn:se:umu:diva-161520 (URN)10.3389/fmars.2019.00316 (DOI)000471699400001 ()
Forskningsfinansiär
Swedish Research Council Formas
Tilgjengelig fra: 2019-07-11 Laget: 2019-07-11 Sist oppdatert: 2019-07-11bibliografisk kontrollert
Rostkowski, P., Haglund, P., Aalizadeh, R., Alygizakis, N., Thomaidis, N., Beltran Arandes, J., . . . Yang, C. (2019). The strength in numbers: comprehensive characterization of house dust using complementary mass spectrometric techniques. Analytical and Bioanalytical Chemistry, 411(10), 1957-1977
Åpne denne publikasjonen i ny fane eller vindu >>The strength in numbers: comprehensive characterization of house dust using complementary mass spectrometric techniques
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2019 (engelsk)Inngår i: Analytical and Bioanalytical Chemistry, ISSN 1618-2642, E-ISSN 1618-2650, Vol. 411, nr 10, s. 1957-1977Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

Untargeted analysis of a composite house dust sample has been performed as part of a collaborative effort to evaluate the progress in the field of suspect and nontarget screening and build an extensive database of organic indoor environment contaminants. Twenty-one participants reported results that were curated by the organizers of the collaborative trial. In total, nearly 2350 compounds were identified (18%) or tentatively identified (25% at confidence level 2 and 58% at confidence level 3), making the collaborative trial a success. However, a relatively small share (37%) of all compounds were reported by more than one participant, which shows that there is plenty of room for improvement in the field of suspect and nontarget screening. An even a smaller share (5%) of the total number of compounds were detected using both liquid chromatography-mass spectrometry (LC-MS) and gas chromatography-mass spectrometry (GC-MS). Thus, the two MS techniques are highly complementary. Most of the compounds were detected using LC with electrospray ionization (ESI) MS and comprehensive 2D GC (GCxGC) with atmospheric pressure chemical ionization (APCI) and electron ionization (EI), respectively. Collectively, the three techniques accounted for more than 75% of the reported compounds. Glycols, pharmaceuticals, pesticides, and various biogenic compounds dominated among the compounds reported by LC-MS participants, while hydrocarbons, hydrocarbon derivatives, and chlorinated paraffins and chlorinated biphenyls were primarily reported by GC-MS participants. Plastics additives, flavor and fragrances, and personal care products were reported by both LC-MS and GC-MS participants. It was concluded that the use of multiple analytical techniques was required for a comprehensive characterization of house dust contaminants. Further, several recommendations are given for improved suspect and nontarget screening of house dust and other indoor environment samples, including the use of open-source data processing tools. One of the tools allowed provisional identification of almost 500 compounds that had not been reported by participants.

sted, utgiver, år, opplag, sider
Springer, 2019
Emneord
House dust, Suspect and nontarget analysis, Collaborative trial, Complementary analytical techniques, Mass spectrometry
HSV kategori
Identifikatorer
urn:nbn:se:umu:diva-158583 (URN)10.1007/s00216-019-01615-6 (DOI)000464714400004 ()30830245 (PubMedID)2-s2.0-85062728989 (Scopus ID)
Tilgjengelig fra: 2019-05-27 Laget: 2019-05-27 Sist oppdatert: 2019-05-27bibliografisk kontrollert
Massei, R., Hollert, H., Krauss, M., von Tümpling, W., Weidauer, C., Haglund, P., . . . Brack, W. (2019). Toxicity and neurotoxicity profiling of contaminated sediments from Gulf of Bothnia (Sweden): a multi-endpoint assay with Zebrafish embryos. Environmental Sciences Europe, 31, Article ID 8.
Åpne denne publikasjonen i ny fane eller vindu >>Toxicity and neurotoxicity profiling of contaminated sediments from Gulf of Bothnia (Sweden): a multi-endpoint assay with Zebrafish embryos
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2019 (engelsk)Inngår i: Environmental Sciences Europe, ISSN 2190-4707, E-ISSN 2190-4715, Vol. 31, artikkel-id 8Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

The toxicological characterization of sediments is an essential task to monitor the quality of aquatic environments. Many hazardous pollutants may accumulate in sediments and pose a risk to the aquatic community. The present study provides an attempt to integrate a diagnostic whole mixture assessment workflow based on a slightly modified Danio rerio embryo acute toxicity test with chemical characterization. Danio rerio embryos were directly exposed to sieved sediment (≤ 63 μm) for 96 h. Sediment samples were collected from three polluted sites (Kramfors, Sundsvall and Örnsköldsvik) in the Gulf of Bothnia (Sweden) which are characterized by a long history of pulp and paper industry impact. Effect data were supported by chemical analyses of 237 organic pollutants and 30 trace elements.

sted, utgiver, år, opplag, sider
Springer, 2019
HSV kategori
Identifikatorer
urn:nbn:se:umu:diva-156256 (URN)10.1186/s12302-019-0188-y (DOI)000457727700001 ()
Prosjekter
EcoChange
Tilgjengelig fra: 2019-02-11 Laget: 2019-02-11 Sist oppdatert: 2019-04-09bibliografisk kontrollert
Veenaas, C. & Haglund, P. (2018). A retention index system for comprehensive two-dimensional gas chromatography using polyethylene glycols. Journal of Chromatography A, 1536, 67-74
Åpne denne publikasjonen i ny fane eller vindu >>A retention index system for comprehensive two-dimensional gas chromatography using polyethylene glycols
2018 (engelsk)Inngår i: Journal of Chromatography A, ISSN 0021-9673, E-ISSN 1873-3778, Vol. 1536, s. 67-74Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

The characterization and identification of compounds in complex real-world samples is quite difficult and new concepts and workflows are highly desirable. Retention indices (RIs) are widely used in gas chromatography (GC) to support the identification of unknown compounds. Several attempts have been made to introduce a similar concept for the second dimension in comprehensive two-dimensional (2D) GC (GC × GC) but, an easily applicable and robust system remains elusive. In the present study, a new RI system for GC × GC was developed. Polyethylene glycols (PEGs) were used in combination with a simple linear regression, with n-alkanes as reference points for virtually unretained compounds and PEG homologs as reference compounds for second-dimension RIs (PEG-2I). The n-alkanes were assigned a PEG-2I of zero and the distance between consecutive PEG homologs from PEG-2 (diethylene glycol) and higher were assigned a PEG-2I value of 10. We used ethylene glycol and PEG-2 through PEG-10 as reference compounds, thereby covering a PEG-2I range from 20.0 for ethylene glycol, over 50.0 for diethylene glycol (PEG-2) to 130.0 for decaethylene glycol (PEG-10); additional PEGs can be added to cover a wider polarity range. The PEG-2I system was initially evaluated using a 30 m × 0.25 mm non-polar (5% phenyl, 0.25 μm film thickness) first-dimension column and a 1.6 m × 0.18 mm polar (50% phenyl, 0.18 μm film thickness) second-dimension column. This system was validated for use with non-polar first-dimension columns and a semi-polar (50% phenyl) second-dimension column, and exhibited robustness to changes in the carrier gas flow velocity, oven temperature ramping rate, and secondary oven temperature offset. An average relative standard deviation of 2.7%, equal to a 95% confidence interval of 1.27 PEG-2I units, was obtained for the PEG-2I values of 72 environmental pollutants. Additionally, the system was found to be applicable over a wide range of boiling points (in the current case, from n-heptane to n-dotriacontane (C7-C32)) and can be used with various column dimensions. Changing the second-dimension column to either a narrower 0.1 mm column or a wider 0.25 mm column, yielded similar 95%-percentiles to that of the 0.18 mm column, differing by only 3.20 and 2.80 PEG-2I units, respectively. Moreover, methods for improving the system were suggested.

Emneord
GC×GC, Retention indices, Polyethylene glycols, n-alkanes, Environmental contaminants
HSV kategori
Identifikatorer
urn:nbn:se:umu:diva-144541 (URN)10.1016/j.chroma.2017.08.062 (DOI)000425074200009 ()28882343 (PubMedID)
Tilgjengelig fra: 2018-02-06 Laget: 2018-02-06 Sist oppdatert: 2019-04-09bibliografisk kontrollert
Organisasjoner
Identifikatorer
ORCID-id: ORCID iD iconorcid.org/0000-0003-2293-7913