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Is diacetyl a respiratory sensitizer? A reconsideration using QSAR, QMM, and competition experiments.
- Source :
-
Chemical research in toxicology [Chem Res Toxicol] 2013 May 20; Vol. 26 (5), pp. 631-3. Date of Electronic Publication: 2013 Apr 17. - Publication Year :
- 2013
-
Abstract
- Concerns have been raised that diacetyl (DA) might be a respiratory sensitizer based on its LUMO energy similar to that of the respiratory allergen toluene-2,4-diisocyanate (TDI) and results of a local lymph node assay (LLNA) that reported an EC3 of 1.9%. To better understand the concerns, we performed a systematic literature review and experimental competition reactions between DA and TDI. The experimental evidence demonstrates that DA is at least 400-fold less reactive than TDI. The literature review finds evidence that the EC3 for DA is actually >11%. We conclude that DA is unlikely to have significant respiratory sensitization potential.
- Subjects :
- Allergens chemistry
Animals
Binding, Competitive drug effects
Diacetyl chemistry
Humans
Local Lymph Node Assay
Toluene 2,4-Diisocyanate adverse effects
Toluene 2,4-Diisocyanate chemistry
Toxicity Tests
Allergens adverse effects
Diacetyl adverse effects
Lymph Nodes drug effects
Quantitative Structure-Activity Relationship
Quantum Theory
Respiratory Hypersensitivity chemically induced
Subjects
Details
- Language :
- English
- ISSN :
- 1520-5010
- Volume :
- 26
- Issue :
- 5
- Database :
- MEDLINE
- Journal :
- Chemical research in toxicology
- Publication Type :
- Academic Journal
- Accession number :
- 23593960
- Full Text :
- https://doi.org/10.1021/tx400097v