PMID- 38065550
OWN - NLM
STAT- MEDLINE
DCOM- 20231220
LR  - 20231220
IS  - 1520-5851 (Electronic)
IS  - 0013-936X (Linking)
VI  - 57
IP  - 50
DP  - 2023 Dec 19
TI  - Acetal Formation of Flavoring Agents with Propylene Glycol in E-Cigarettes: 
      Impacts on Indoor Partitioning and Thirdhand Exposure.
PG  - 21284-21294
LID - 10.1021/acs.est.3c08514 [doi]
AB  - The widespread use of flavored e-cigarettes has led to a significant rise in 
      teenage nicotine use. In e-liquids, the flavor carbonyls can form acetals with 
      unknown chemical and toxicological properties. These acetals can cause adverse 
      health effects on both smokers and nonsmokers through thirdhand exposure. This 
      study aims to explore the impacts of these acetals formed in e-cigarettes on 
      indoor partitioning and thirdhand exposure. Specifically, the acetalization 
      reactions of commonly used flavor carbonyls in laboratory-made e-liquids were 
      monitored using proton nuclear magnetic resonance ((1)H NMR) spectroscopy. EAS-E 
      Suite and polyparameter linear free energy relationships (PP-LFERs) were employed 
      to estimate the partitioning coefficients for species. Further, a chemical 
      two-dimensional partitioning model was applied to visualize the indoor 
      equilibrium partitioning and estimate the distribution of flavor carbonyls and 
      their acetals in the gas phase, aerosol phase, and surface reservoirs. Our 
      results demonstrate that a substantial fraction of carbonyls were converted into 
      acetals in e-liquids and their chemical partitioning was significantly 
      influenced. This study shows that acetalization is a determinant factor in the 
      exposure and toxicology of harmful carbonyl flavorings, with its impact extending 
      to both direct exposure to smokers and involuntary exposure to nonsmokers.
FAU - Wu, Shuang
AU  - Wu S
AUID- ORCID: 0000-0001-6374-198X
AD  - Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2, 
      Canada.
FAU - Kim, Erica
AU  - Kim E
AD  - Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2, 
      Canada.
FAU - Zhao, Ran
AU  - Zhao R
AUID- ORCID: 0000-0002-1096-7632
AD  - Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2, 
      Canada.
LA  - eng
PT  - Journal Article
DEP - 20231208
PL  - United States
TA  - Environ Sci Technol
JT  - Environmental science & technology
JID - 0213155
RN  - 0 (Flavoring Agents)
RN  - 0 (Acetals)
RN  - 6M3C89ZY6R (Nicotine)
RN  - 6DC9Q167V3 (Propylene Glycol)
SB  - IM
MH  - *Electronic Nicotine Delivery Systems
MH  - Flavoring Agents
MH  - Acetals
MH  - Nicotine
MH  - Propylene Glycol
OTO - NOTNLM
OT  - acetal formation
OT  - chemical exposure
OT  - chemical partitioning
OT  - e-cigarettes
OT  - e-liquids
OT  - flavoring agents
OT  - indoor air quality
OT  - thirdhand exposure
EDAT- 2023/12/09 05:43
MHDA- 2023/12/20 06:43
CRDT- 2023/12/08 19:53
PHST- 2023/12/20 06:43 [medline]
PHST- 2023/12/09 05:43 [pubmed]
PHST- 2023/12/08 19:53 [entrez]
AID - 10.1021/acs.est.3c08514 [doi]
PST - ppublish
SO  - Environ Sci Technol. 2023 Dec 19;57(50):21284-21294. doi: 
      10.1021/acs.est.3c08514. Epub 2023 Dec 8.