Current challenges in compound-specific stable isotope analysis of environmental organic contaminants

Elsner, Martin; Jochmann, Maik A.; Hofstetter, Thomas B.; Hunkeler, Daniel; Bernstein, Anat; Schmidt, Torsten; Schimmelmann, Arndt

doi:10.1007/s00216-011-5683-y

Cited by 240 publications

(231 citation statements)

References 141 publications

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“…However, to carry out CSIA using the typical instrumentation (i.e., gas chromatography coupled to isotope ratio mass spectrometry, GC/IRMS), a series of challenges have to be addressed. (a) GC/IRMS systems exhibit rather poor sensitivity requiring extensive sample enrichment, which can, in principle, lead to isotope fractionation artifacts [5,6,8]. (b) Many contaminants contain polar functional groups (alcohol, amino, or carboxyl groups, N-heteroatoms) that reduce their volatility and thermal stability thus compromising their analysis by GC/IRMS.…”

Section: Introductionmentioning

confidence: 99%

Compound-specific isotope analysis of benzotriazole and its derivatives

et al. 2012

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Compound-specific isotope analysis (CSIA) is an important tool for the identification of contaminant sources and transformation pathways, but it is rarely applied to emerging aquatic micropollutants owing to a series of instrumental challenges. Using four different benzotriazole corrosion inhibitors and its derivatives as examples, we obtained evidence that formation of organometallic complexes of benzotriazoles with parts of the instrumentation impedes isotope analysis. Therefore, we propose two strategies for accurate δ 13 C and δ 15 N measurements of polar organic micropollutants by gas chromatography isotope ratio mass spectrometry (GC/IRMS). Our first approach avoids metallic components and uses a Ni/Pt reactor for benzotriazole combustion while the second is based on the coupling of online methylation to the established GC/IRMS setup. Method detection limits for on-column injection of benzotriazole, as well as its 1-CH 3 -, 4-CH 3 -, and 5-CH 3 -substituted species were 0.1-0.3 mM and 0.1-1.0 mM for δ 13 C and δ 15 N analysis respectively, corresponding to injected masses of 0.7-1.8 nmol C and 0.4-3.0 nmol N,

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Section: Introductionmentioning

confidence: 99%

Compound-specific isotope analysis of benzotriazole and its derivatives

et al. 2012

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“…CSIA has been previously applied to study in situ degradation of organic groundwater contaminants (Blum et al, 2009;Elsner et al, 2012;Hunkeler et al, 2005;Schmidt and Jochmann, 2012;Wiegert et al, 2012;Zwank et al, 2005). In the context of diffuse agricultural pollution, CSIA has mainly been used to distinguish natural from anthropogenic nitrate sources and discern denitrification (Divers et al, 2014;Johannsen et al, 2008;Kellman and HillaireMarcel, 2003;Voss et al, 2006;Wexler et al, 2014).…”

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Pesticide fate on catchment scale: conceptual modelling of stream CSIA data

Lutz

Velde

Elsayed

et al. 2017

Hydrol. Earth Syst. Sci.

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Abstract. Compound-specific stable isotope analysis (CSIA) has proven beneficial in the characterization of contaminant degradation in groundwater, but it has never been used to assess pesticide transformation on catchment scale. This study presents concentration and carbon CSIA data of the herbicides S-metolachlor and acetochlor from three locations (plot, drain, and catchment outlets) in a 47 ha agricultural catchment (Bas-Rhin, France). Herbicide concentrations at the catchment outlet were highest (62 µg L −1 ) in response to an intense rainfall event following herbicide application. Increasing δ 13 C values of S-metolachlor and acetochlor by more than 2 ‰ during the study period indicated herbicide degradation. To assist the interpretation of these data, discharge, concentrations, and δ 13 C values of S-metolachlor were modelled with a conceptual mathematical model using the transport formulation by travel-time distributions. Testing of different model setups supported the assumption that degradation half-lives (DT50) increase with increasing soil depth, which can be straightforwardly implemented in conceptual models using travel-time distributions. Moreover, model calibration yielded an estimate of a field-integrated isotopic enrichment factor as opposed to laboratory-based assessments of enrichment factors in closed systems. Thirdly, the Rayleigh equation commonly applied in groundwater studies was tested by our model for its potential to quantify degradation on catchment scale. It provided conservative estimates on the extent of degradation as occurred in stream samples. However, largely exceeding the simulated degradation within the entire catchment, these estimates were not representative of overall degradation on catchment scale. The conceptual modelling approach thus enabled us to upscale sample-based CSIA information on degradation to the catchment scale. Overall, this study demonstrates the benefit of combining monitoring and conceptual modelling of concentration and CSIA data and advocates the use of traveltime distributions for assessing pesticide fate and transport on catchment scale.

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“…presented a review on compound-specific stable isotope analysis of environmental organic contaminants, also elucidating the use of Cl isotope ratios to trace chlorine-containing organic compounds [125]. Cl isotope ratios have also been used to trace water sources.…”

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confidence: 99%

Application of non-traditional stable isotopes in analytical ecogeochemistry assessed by MC ICP-MS - A critical review

Irrgeher

Prohaska

2015

Anal Bioanal Chem

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Analytical ecogeochemistry is an evolving scientific field dedicated to the development of analytical methods and tools and their application to ecological questions. Traditional stable isotopic systems have been widely explored and have undergone continuous development during the last century.The variations of the isotopic composition of light elements (H, O, N, C and S) have provided the foundation of stable isotope analysis followed by the analysis of traditional geochemical isotope tracers (e.g. Pb, Sr, Nd, Hf). Questions in a considerable diversity of scientific fields have been addressed, many of which can be assigned to the field of ecogeochemistry. Over the past fifteen years, other stable isotopes (e.g. Li, Zn, Cu, Cl) have emerged gradually as novel tools for the investigation of scientific topics that arise in ecosystem research and have enabled novel discoveries and explorations. These systems are often referred to as non-traditional isotopes.The small isotopic differences of interest that are increasingly being addressed for a growing number of isotopic systems represent a challenge to the analytical scientist and push the limits of today's instruments constantly. This underlines the importance of a metrologically sound concept of analytical protocols and procedures and a solid foundation of data processing strategies and uncertainty considerations before these small isotopic variations can be interpreted in the context of applied ecosystem research. This review focuses on the development of isotope research in ecogeochemistry, the requirements for successful detection of small isotopic shifts as well as highlights the most recent and innovative applications in the field. Keywordsanalytical ecogeochemistry, non-traditional stable isotopes, isotope tracers, MC ICP-MS, chemical metrology 2

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Current challenges in compound-specific stable isotope analysis of environmental organic contaminants

Cited by 240 publications

References 141 publications

Compound-specific isotope analysis of benzotriazole and its derivatives

Compound-specific isotope analysis of benzotriazole and its derivatives

Pesticide fate on catchment scale: conceptual modelling of stream CSIA data

Application of non-traditional stable isotopes in analytical ecogeochemistry assessed by MC ICP-MS - A critical review

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