scholarly journals Chemical Mixture Calculator - A novel tool for mixture risk assessment

2021 ◽  
pp. 112167
Author(s):  
Julie Boberg ◽  
Lea Bredsdorff ◽  
Annette Petersen ◽  
Nathalie Löbl ◽  
Bodil Hamborg Jensen ◽  
...  
Risk Analysis ◽  
2019 ◽  
Vol 39 (10) ◽  
pp. 2259-2271 ◽  
Author(s):  
Carl‐Gustaf Bornehag ◽  
Efthymia Kitraki ◽  
Antonios Stamatakis ◽  
Emily Panagiotidou ◽  
Christina Rudén ◽  
...  

2020 ◽  
Vol 138 ◽  
pp. 111185 ◽  
Author(s):  
Hilko van der Voet ◽  
Johannes W. Kruisselbrink ◽  
Waldo J. de Boer ◽  
Marco S. van Lenthe ◽  
J.J.B. (Hans) van den Heuvel ◽  
...  

2012 ◽  
Vol 2012 ◽  
pp. 1-8 ◽  
Author(s):  
Nina Ching Y. Wang ◽  
Glenn E. Rice ◽  
Linda K. Teuschler ◽  
Joan Colman ◽  
Raymond S. H. Yang

Both the Massachusetts Department of Environmental Protection (MADEP) and the Total Petroleum Hydrocarbon Criteria Working Group (TPHCWG) developed fraction-based approaches for assessing human health risks posed by total petroleum hydrocarbon (TPH) mixtures in the environment. Both organizations defined TPH fractions based on their expected environmental fate and by analytical chemical methods. They derived toxicity values for selected compounds within each fraction and used these as surrogates to assess hazard or risk of exposure to the whole fractions. Membership in a TPH fraction is generally defined by the number of carbon atoms in a compound and by a compound's equivalent carbon (EC) number index, which can predict its environmental fate. Here, we systematically and objectively re-evaluate the assignment of TPH to specific fractions using comparative molecular field analysis and hierarchical clustering. The approach is transparent and reproducible, reducing inherent reliance on judgment when toxicity information is limited. Our evaluation of membership in these fractions is highly consistent (̃80% on average across various fractions) with the empirical approach of MADEP and TPHCWG. Furthermore, the results support the general methodology of mixture risk assessment to assess both cancer and noncancer risk values after the application of fractionation.


2019 ◽  
Vol 31 (1) ◽  
Author(s):  
Leo Posthuma ◽  
Rolf Altenburger ◽  
Thomas Backhaus ◽  
Andreas Kortenkamp ◽  
Christin Müller ◽  
...  

Abstract The present monitoring and assessment of water quality problems fails to characterize the likelihood that complex mixtures of chemicals affect water quality. The European collaborative project SOLUTIONS suggests that this likelihood can be estimated, amongst other methods, with improved component-based methods (CBMs). The use of CBMs is a well-established practice in the WFD, as one of the lines of evidence to evaluate chemical pollution on a per-chemical basis. However, this is currently limited to a pre-selection of 45 and approximately 300 monitored substances (priority substances and river basin-specific pollutants, respectively), of which only a few actually co-occur in relevant concentrations in real-world mixtures. Advanced CBM practices are therefore needed that consider a broader, realistic spectrum of chemicals and thereby improve the assessment of mixture impacts, diagnose the causes of observed impacts and provide more useful water management information. Various CBMs are described and illustrated, often representing improvements of well-established methods. Given the goals of the WFD and expanding on current guidance for risk assessment, these improved CBMs can be applied to predicted or monitored concentrations of chemical pollutants to provide information for management planning. As shown in various examples, the outcomes of the improved CBMs allow for the evaluation of the current likelihood of impacts, of alternative abatement scenarios as well as the expected consequences of future pollution scenarios. The outputs of the improved CBMs are useful to underpin programmes of measures to protect and improve water quality. The combination of CBMs with effect-based methods (EBMs) might be especially powerful to identify as yet underinvestigated emerging pollutants and their importance in a mixture toxicity context. The present paper has been designed as one in a series of policy briefs to support decisions on water quality protection, monitoring, assessment and management under the European Water Framework Directive (WFD).


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