TITLE

How to confirm identified toxicants in effect-directed analysis

AUTHOR(S)
Brack, Werner; Schmitt-Jansen, Mechthild; Machala, Miroslav; Brix, Rikke; Barceló, Damià; Schymanski, Emma; Streck, Georg; Schulze, Tobias
PUB. DATE
April 2008
SOURCE
Analytical & Bioanalytical Chemistry;Apr2008, Vol. 390 Issue 8, p1959
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Due to the production and use of a multitude of chemicals in modern society, waters, sediments, soils and biota may be contaminated with numerous known and unknown chemicals that may cause adverse effects on ecosystems and human health. Effect-directed analysis (EDA), combining biotesting, fractionation and chemical analysis, helps to identify hazardous compounds in complex environmental mixtures. Confirmation of tentatively identified toxicants will help to avoid artefacts and to establish reliable cause–effect relationships. A tiered approach to confirmation is suggested in the present paper. The first tier focuses on the analytical confirmation of tentatively identified structures. If straightforward confirmation with neat standards for GC–MS or LC–MS is not available, it is suggested that a lines-of-evidence approach is used that combines spectral library information with computer-based structure generation and prediction of retention behaviour in different chromatographic systems using quantitative structure–retention relationships (QSRR). In the second tier, the identified toxicants need to be confirmed as being the cause of the measured effects. Candidate components of toxic fractions may be selected based, for example, on structural alerts. Quantitative effect confirmation is based on joint effect models. Joint effect prediction on the basis of full concentration–response plots and careful selection of the appropriate model are suggested as a means to improve confirmation quality. Confirmation according to the Toxicity Identification Evaluation (TIE) concept of the US EPA and novel tools of hazard identification help to confirm the relevance of identified compounds to populations and communities under realistic exposure conditions. Promising tools include bioavailability-directed extraction and dosing techniques, biomarker approaches and the concept of pollution-induced community tolerance (PICT). [Figure not available: see fulltext.]
ACCESSION #
31520559

 

Related Articles

  • Behavior of Solid Microparticles in Their Fractionation on a Rotating Coiled Column. Katasonova, O. N.; Fedotov, P. S.; Spivakov, B. Ya.; Filippov, M. N. // Journal of Analytical Chemistry;May2003, Vol. 58 Issue 5, p473 

    The potentialities and advantages of using rotating coiled columns for the field-flow fractionation of solid microparticles in the transverse field of centrifugal forces were considered. Some peculiarities of the particle behavior in a rotating coiled column were studied using the retention and...

  • Microtox assay of trinitrotoluene, diaminonitrotoluene, and dinitromethylaniline mixtures. Hankenson, Kurt; Schaeffer, David // Bulletin of Environmental Contamination & Toxicology;Apr1991, Vol. 46 Issue 4, p550 

    The article presents a study on the microtoxic assay of the mixtures of diaminonitrotoluene(DANT), trinitrotoluene (TNT), and dinitromethylaniline (DNMA). The study uses the standard Microtox procedure to analyze the toxicity of the aqueous solutions of TNT, DNMA, and DANT, while bacteria...

  • Overload or Minor Peak? Dolan, John W. // LC-GC Asia Pacific;Jun2005, Vol. 8 Issue 2, p14 

    Explains peak tailing for peaks in liquid chromatography separation. Description and purpose of peak tailing; Ways to diagnose a minor peak from an overloaded peak; Role of mass spectrometry in determining the presence of a minor peak.

  • Optimization of flow field-flow fractionation for the characterization of natural colloids. Hadri, Hind; Gigault, Julien; Chéry, Philippe; Potin-Gautier, Martine; Lespes, Gaëtane // Analytical & Bioanalytical Chemistry;Feb2014, Vol. 406 Issue 6, p1639 

    The methodological approach used to robustly optimize the characterization of the polydisperse colloidal phase of drain water samples is presented. The approach is based on asymmetric flow field-flow fractionation coupled to online ultraviolet/visible spectrophotometry, multi-angle light...

  • Virus Particle Characterization.  // LC-GC Europe;Sep2003, Vol. 16 Issue 9a, p28 

    Discusses the use of the Eclipse, a particle separation system based upon field-flow fractionation, for virus characterization. Importance of characterizing virus particles; Effectiveness of the Eclipse in virus characterization.

  • Quantifying the Global Fractionation of Polychlorinated Biphenyls. Wania, Frank; Su, Yushan // AMBIO - A Journal of the Human Environment;May2004, Vol. 33 Issue 3, p161 

    Due to the wide range of their physical-chemical properties, polychlorinated biphenyls (PCBs) have played an important role in the derivation of the global fractionation hypothesis, which predicts changes in the composition of persistent organic pollutant mixtures with latitude. Recent...

  • The Perfect Method, Part III: Adjusting Retention. Dolan, John W. // LC-GC North America;Aug2007, Vol. 25 Issue 8, p704 

    The article presents the third part of a series regarding the development of a new reverse-phased methods of liquid chromatography LC. Information about the equation used in the method development process as well as selecting the target k-value is discussed. The relationship between the...

  • Fractionation of Solid Particles Present in Water in Rotating Coiled Columns. Katasonova, O. N.; Fedotov, P. S.; Kronrod, V. A.; Spivakov, B. Ya. // Journal of Analytical Chemistry;Jul2003, Vol. 58 Issue 7, p653 

    Proposes rotating coiled columns for the field-flow fractionation of particles by their size and density. Behavior of particles in a rotating coiled column; Fractionation conditions for irregular natural particles; Application of rotating coiled columns for the separation of soils into clay,...

  • The Need for a Paradigm Shift in Toxicology. Crofton, Kevin M. // Environmental Forum;Mar/Apr2008, Vol. 25 Issue 2, p48 

    The article reports on the need for development of better toxicity testing. It focuses on the proposed paradigm shift in toxicology. Chemical exposure requirements need to be advanced for the risks associated in exposures and hazards brought to people by various chemicals. However, challenges to...

Share

Read the Article

Courtesy of THE LIBRARY OF VIRGINIA

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics