Improvement of the Cramer classification for oral exposure using the database TTC RepDose - A strategy description

Regulatory Toxicology and Pharmacology

Volumn 61, Issue 3, 2011, Pages 340-350

  Tluczkiewicz, I ^a   Buist, H E ^b   Martin, M T ^c   Mangelsdorf, I ^a   Escher, S E ^a  

^a FRAUNHOFER INSTITUTE FOR TOXICOLOGY AND EXPERIMENTAL MEDICINE   (Germany)

^b TNO   (Netherlands)

^c U S ENVIRONMENTAL PROTECTION AGENCY   (United States)

Author keywords

Cramer classification; Database; Oral exposure; Refinement; RepDose; Risk assessment; SAR; Structure activity relationship; Threshold of toxicological concern; Toxicology; TTC concept

Indexed keywords

AMINE; PHENOL DERIVATIVE; TOXIC SUBSTANCE;

ARTICLE; CLASSIFICATION ALGORITHM; CONTROLLED STUDY; DATA BASE; ECOTOXICOLOGY; IN VIVO STUDY; MOLECULAR WEIGHT; PRIORITY JOURNAL; PROCESS OPTIMIZATION; RISK ASSESSMENT; STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS; THRESHOLD OF TOXICOLOGICAL CONCERN REPDOSE; TOXICITY TESTING;

ANIMALS; DATABASES, FACTUAL; DRUG TOXICITY; ENVIRONMENTAL EXPOSURE; HAZARDOUS SUBSTANCES; HUMANS; NO-OBSERVED-ADVERSE-EFFECT LEVEL; PHARMACEUTICAL PREPARATIONS; REFERENCE VALUES; RISK ASSESSMENT;

EID: 80855144769     PISSN: 02732300     EISSN: 10960295     Source Type: Journal    
DOI: 10.1016/j.yrtph.2011.09.005     Document Type: Article

References (19)

1. Barlow, S., 2005. Threshold of toxicological concern (TTC) - a tool for assessing substances of unknown toxicity present at low levels in the diet. In: International Life Science Institute Europe Concise Monograph Series. ILSI Europe a.i.s.b.l., Brussels, 1-32.
2. Bitsch A., Jacobi S., Melber C., Wahnschaffe U., Simetska N., Mangelsdorf I. RepDose: a database on repeated dose toxicity studies of commercial chemicals - a multifunctional tool. Regul. Toxicol. Pharmacol. 2006, 46:202-210.
3. Breese K.D., Lamèthe J.-F., DeArmitt C. Improving synthetic hindered phenol antioxidants: learning from vitamin E. Polym. Degrad. Stability 2000, 70:89-96.
4. Cramer G.M., Ford R.A., Hall R.L. Estimation of toxic hazard-a decision tree approach. Food Cosmet. Toxicol. 1978, 16:255-276.
5. ECHA 2008, Guidance on information requirements and chemical safety assessment. Chapter R.5/R.8: Adaptation of information requirements/ Characterisation of dose [concentration]-response for human health. European Chemicals Agency.
6. EFSA 2011, Draft Scientific Opinion on Exploring options for providing preliminary advice about possible human health risks based on the concept of Threshold of Toxicological Concern (TTC); European Food Safety Authority (2011). Available at: http://www.efsa.europa.eu/de/consultations/call/110712a.pdf.
7. Escher, S.E., Bitsch, A., Batke, M., Weiss, S., Simetska, N., Melber, C., Mangelsdorf, I., 2008. The TTC-concept for industrial chemicals. Are inhalation thresholds needed? EUROTOX 2008 Conference, Rhodes, Greece.
8. Felter S., Lane R.W., Latulippe M.E., Llewellyn C., Olin S.S., Scimeca J.A., Trautman T.D. Refining the threshold of toxicological concern (TTC) for risk prioritization of trace chemicals in food. Food Chem. Toxicol. 2009, 47:2236-2245.
9. GHS - Globally Harmonized System of Classification and Labelling of Chemicals 2007. United Nations. Economic Commission for Europe. 537 pp.
10. Kalkhof, H., Herzler, M., Stahlmann, R., Gundert-Remy, U., 2011. Thresholds of toxicological concern values for non-genotoxic effects in industrial chemicals: re-evaluation of the Cramer classification. Arch. Toxicol. 2011.
11. Kroes R., Renwick A., Cheesman M., Kleiner J., Mangelsdorf I., Piersma A., Schilter B., Schlatter J., van Schothorst F., Vos J.G., Wurtzen G. Structured-based thresholds of toxicological concern (TTC): Guidance for application to substances present at low levels in the diet. Food Chem. Toxicol. 2004, 42:65-83.
12. Kühne R., Ebert R.U., Schüürmann G. Chemical domain of QSAR models from atom-centered fragments. J. Chem. Inf. Model. 2009, 49:2660-2669.
13. Martin M.T., Judson R.S., Reif D.M., Kavlock R.J., Dix D.J. Profiling chemicals based on chronic toxicity results from US EPA ToxRef database. Environ. Health Perspect. 2009, 117:392-399.
14. Munro I.C., Ford R.A., Kennepohl E., Sprenger J.G. Correlation of structural class with no-observed-effect levels: A proposal for establishing a threshold of concern. Food Chem. Toxicol. 1996, 34:829-867.
15. Munro, I.C., Renwick, A.G., Danielewska-Nikiel B., 2008. - threshold of toxicological concern (TTC) in risk assessment. Toxicol. Lett. 180, 151-156.
16. OECD (Q)SAR Application Toolbox (v.1.1.02); August 2010; http://www.oecd.org/document/54/0,3343,en_2649_34379_42923638_1_1_1_1,00.html#Download_qsar_application_toolbox.
17. Renwick A.G. Data-derived safety factors for the evaluation of food additives and environmental contaminants. Food Addit. Contam. 1993, 10:275-305.
18. Renwick A.G. Toxicology databases and the concept of thresholds of toxicological concern as used by the JECFA for the safety evaluation of flavouring agents. Toxicol. Lett. 2004, 149:223-234.
19. Torres de Pinedo A., Peňalver P., Morales J.C. Synthesis and evaluation of new phenolic-based antioxidants: structure-activity relationship. Food chem. 2007, 103:55-61.