PMID- 23593960
OWN - NLM
STAT- MEDLINE
DCOM- 20141222
LR  - 20181202
IS  - 1520-5010 (Electronic)
IS  - 0893-228X (Linking)
VI  - 26
IP  - 5
DP  - 2013 May 20
TI  - Is diacetyl a respiratory sensitizer? A reconsideration using QSAR, QMM, and 
      competition experiments.
PG  - 631-3
LID - 10.1021/tx400097v [doi]
AB  - 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.
FAU - Dworak, J J
AU  - Dworak JJ
AD  - Department of Chemistry, Wesleyan University , Hall-Atwater Laboratories, 52 Lawn 
      Avenue, Middletown, Connecticut 06459-0180, United States.
FAU - Roberts, D W
AU  - Roberts DW
FAU - Calter, M A
AU  - Calter MA
FAU - Fields, C A
AU  - Fields CA
FAU - Borak, J
AU  - Borak J
LA  - eng
PT  - Journal Article
PT  - Review
PT  - Systematic Review
DEP - 20130417
PL  - United States
TA  - Chem Res Toxicol
JT  - Chemical research in toxicology
JID - 8807448
RN  - 0 (Allergens)
RN  - 17X7AFZ1GH (Toluene 2,4-Diisocyanate)
RN  - K324J5K4HM (Diacetyl)
SB  - IM
MH  - Allergens/*adverse effects/chemistry
MH  - Animals
MH  - Binding, Competitive/drug effects
MH  - Diacetyl/*adverse effects/chemistry
MH  - Humans
MH  - Local Lymph Node Assay
MH  - Lymph Nodes/*drug effects
MH  - *Quantitative Structure-Activity Relationship
MH  - *Quantum Theory
MH  - Respiratory Hypersensitivity/*chemically induced
MH  - Toluene 2,4-Diisocyanate/adverse effects/chemistry
MH  - Toxicity Tests
EDAT- 2013/04/19 06:00
MHDA- 2014/12/23 06:00
CRDT- 2013/04/19 06:00
PHST- 2013/04/19 06:00 [entrez]
PHST- 2013/04/19 06:00 [pubmed]
PHST- 2014/12/23 06:00 [medline]
AID - 10.1021/tx400097v [doi]
PST - ppublish
SO  - Chem Res Toxicol. 2013 May 20;26(5):631-3. doi: 10.1021/tx400097v. Epub 2013 Apr 
      17.