Equilibrium partitioning of organic compounds to OASIS HLB ® as a function of compound concentration, pH, temperature and salinity

Jeong, Young-Sun; Schäffer, Andreas; Smith, Kilian E. C.

doi:10.1016/j.chemosphere.2017.01.116

Cited by 55 publications

(33 citation statements)

References 37 publications

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“…reported by Jeong et al (2017)36 as well.Determination of the Ksw. All organic contaminants studied in this work reached sorption equilibrium between 12 and 24h.…”

supporting

confidence: 61%

Hydrophilic Divinylbenzene for Equilibrium Sorption of Emerging Organic Contaminants in Aquatic Matrices

Huysman

Vanryckeghem

Paepe

et al. 2019

Environ. Sci. Technol.

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Hydrophilic divinylbenzene (DVB) (Bakerbond™) has surfaced as a promising sorbent for active sampling of analytes from aqueous matrices over a very broad polarity range. Given this, hydrophilic DVB may likewise offer potential for passive sampling, if sorbent-water partitioning coefficients (Ksw) were to be available. In this work, static exposure batch experiments were performed to quantitatively study the equilibrium sorption of 131 environmentally relevant organic contaminants (P values ranging from-1.30 to 9.85) on hydrophilic DVB. The superior affinity of hydrophilic DVB, as compared to Oasis HLB, for compounds with a broad polarity range was confirmed by functional FTIR and Raman characterization, demonstrating the presence of carboxyl moieties. Concentration effects were studied by increasing compound concentrations in mixture experiments, and resulted for the steroidal EDCs in higher Ksw, while lower Ksw were obtained for the (alkyl)phenols, personal care products, pesticides, pharmaceuticals and phthalates. Nevertheless, Ksw remained constant in said design for equilibrium water concentrations at environmentally relevant seawater levels. Independent analysis of thermodynamic parameters (change in enthalpy, entropy and Gibbs free energy) revealed the nature of the main partitioning processes. While polar (log P < 4) compounds were mainly served by physisorption, non-polar (log P > 4) compounds also exhibited binding by multiple hydrogen bonding. In conclusion, this research facilitates the future application of hydrophilic DVB for active as well as passive sampling in the analysis of organic contaminants for monitoring purposes but also for toxicity testing.

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“…reported by Jeong et al (2017)36 as well.Determination of the Ksw. All organic contaminants studied in this work reached sorption equilibrium between 12 and 24h.…”

supporting

confidence: 61%

Hydrophilic Divinylbenzene for Equilibrium Sorption of Emerging Organic Contaminants in Aquatic Matrices

Huysman

Vanryckeghem

Paepe

et al. 2019

Environ. Sci. Technol.

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“…IS could potentially affect the adsorption process of several organics, such as sulfachloropyridazine, tylosin, and oxytetracycline 37 , but has no discernible effect on materials without significantly ionized forms 38,39 . The result that IS has little effect on adsorption is consistent with previousstudies 36 . Measurement of BPs using DGT with activated charcoal binding gel also was unaffected at an IS of 0.001–0.05 M 29 .…”

Section: Resultssupporting

confidence: 92%

“…According to Kim et al . 35 , pH has a considerable impact on MC-LR adsorption when the compound contains many carboxyl, phosphonate groups, and amine groups, but has little effect on neutral compounds 36 . The performance of the HLB DGT for measuring MC-LR in solutions with various pH and ionic strength (IS) conditions is shown in Fig.…”

Section: Resultsmentioning

confidence: 99%

A new method based on diffusive gradients in thin films for in situ monitoring microcystin-LR in waters

Yao

Steinman

Wan

et al. 2019

Sci Rep

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The passive sampling method of diffusive gradients in thin-films (DGT) was developed to provide a quantitative and time-integrated measurement of microcystin-LR (MC-LR) in waters. The DGT method in this study used HLB (hydrophilic-lipophilic-balanced) material as a binding agent, and methanol as an eluent. The diffusion coefficient of MC-LR was 5.01 × 10−6 cm2 s−1 at 25 °C in 0.45 mm thick diffusion layer. This DGT method had a binding capacity of 4.24 μg per binding gel disk (3.14 cm2), ensuring sufficient capacity to measure MC-LR in most water matrices. The detection limit of HLB DGT was 0.48 ng L−1. DGT coupled to analysis by HPLC appears to be an accurate method for MC-LR monitoring. Comparison of DGT measurements for MC-LR in water and a conventional active sampling method showed little difference. This study demonstrates that HLB-based DGT is a useful tool for in situ monitoring of MC-LR in fresh waters.

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“…44,52 It should be noted that this SPE phase was chosen as it has been widely used in targeted 13,15,53 and untargeted analyses, 54,55 and passive sampling. 56,57 The similarities in DOC concentration and extraction efficiencies emphasise the need to explore alternative, i.e. molecular, approaches, to gain an in-depth understanding of the composition characteristics and potential ecological impacts in relation to DOM source.…”

Section: Data Processingmentioning

confidence: 99%

Untargeted characterisation of dissolved organic matter contributions to rivers from anthropogenic point sources using direct‐infusion and high‐performance liquid chromatography/Orbitrap mass spectrometry

Pemberton

Lloyd

Arthur

et al. 2020

Rapid Comm Mass Spectrometry

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Rationale Anthropogenic organic inputs to freshwaters can exert detrimental effects on aquatic ecosystems, raising growing concern for both environmental conservation and water security. Current regulation by the EU water framework directive (European Union, 2000/60/EC) relates to organic pollution by monitoring selected micropollutants; however, aquatic ecosystem responses require a comprehensive understanding of dissolved organic matter (DOM) composition. The introduction of high‐resolution mass spectrometry (HRMS) is set to greatly increase our understanding of the composition of DOM of both natural and anthropogenic origin derived from diffuse and point sources. Methods DOM was extracted from riverine and treated sewage effluent using solid‐phase extraction (SPE) and analysed using dissolved organic carbon analysis, direct‐infusion high‐resolution mass spectrometry (DI‐HRMS) and high‐performance liquid chromatography (HPLC)/HRMS. The data obtained were analysed using univariate and multivariate statistics to demonstrate differences in background DOM, anthropogenic inputs and in‐river mixing. Compound identifications were achieved based on MS2 spectra searched against on‐line databases. Results DI‐HRMS spectra showed the highly complex nature of all DOM SPE extracts. Classification and visualisation of extracts containing many thousands of individual compounds were achieved using principal component analysis (PCA) and hierarchical cluster analysis. Kruskal‐Wallis analyses highlighted significant discriminating ions originating from the sewage treatment works for more in‐depth investigation by HPLC/HRMS. The generation of MS2 spectra in HPLC/HRMS provided the basis for identification of anthropogenic compounds including; pharmaceuticals, illicit drugs, metabolites and oligomers, although many thousands of compounds remain unidentified. Conclusions This new approach enables comprehensive analysis of DOM in extracts without any preconceived ideas of the compounds which may be present. This approach has the potential to be used as a high throughput, qualitative, screening method to determine if the composition of point sources differs from that of the receiving water bodies, providing a new approach to the identification of hitherto unrecognised organic contribution to water bodies.

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Equilibrium partitioning of organic compounds to OASIS HLB ® as a function of compound concentration, pH, temperature and salinity

Cited by 55 publications

References 37 publications

Hydrophilic Divinylbenzene for Equilibrium Sorption of Emerging Organic Contaminants in Aquatic Matrices

Hydrophilic Divinylbenzene for Equilibrium Sorption of Emerging Organic Contaminants in Aquatic Matrices

A new method based on diffusive gradients in thin films for in situ monitoring microcystin-LR in waters

Untargeted characterisation of dissolved organic matter contributions to rivers from anthropogenic point sources using direct‐infusion and high‐performance liquid chromatography/Orbitrap mass spectrometry

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