Application of High-Resolution Mass Spectrometry and a Theoretical Model to the Quantification of Multifunctional Carbonyls and Organic Acids in e-Cigarette Aerosol.

Autor: Li Y; Department of Environmental Toxicology, University of California Davis, Davis, California 95616, United States., Burns AE; Department of Environmental Toxicology, University of California Davis, Davis, California 95616, United States., Burke GJP; Department of Environmental Toxicology, University of California Davis, Davis, California 95616, United States., Poindexter ME; Center for Health and the Environment, University of California Davis, Davis, California 95616, United States., Madl AK; Center for Health and the Environment, University of California Davis, Davis, California 95616, United States., Pinkerton KE; Center for Health and the Environment, University of California Davis, Davis, California 95616, United States., Nguyen TB; Department of Environmental Toxicology, University of California Davis, Davis, California 95616, United States.
Jazyk: angličtina
Zdroj: Environmental science & technology [Environ Sci Technol] 2020 May 05; Vol. 54 (9), pp. 5640-5650. Date of Electronic Publication: 2020 Apr 23.
DOI: 10.1021/acs.est.9b07387
Abstrakt: Electronic (e-) cigarette aerosol (particle and gas) is a complex mixture of chemicals, of which the profile is highly dependent on device operating parameters and e-liquid flavor formulation. The thermal degradation of the e-liquid solvents propylene glycol and glycerol often generates multifunctional carbonyls that are challenging to quantify because of unavailability of standards. We developed a theoretical method to calculate the relative electrospray ionization sensitivities of hydrazones of organic acids and carbonyls with 2,4-dinitrophenylhydrazine based on their gas-phase basicities (Δ G deprotonation ). This method enabled quantification by high-performance liquid chromatography-high-resolution mass spectrometry HPLC-HRMS in the absence of chemical standards. Accurate mass and tandem multistage MS (MS n ) were used for structure identification of vaping products. We quantified five simple carbonyls, six hydroxycarbonyls, four dicarbonyls, three acids, and one phenolic carbonyl in the e-cigarette aerosol with Classic Tobacco flavor. Our results suggest that hydroxycarbonyls, such as hydroxyacetone, lactaldehyde, and dihydroxyacetone can be significant components in e-cigarette aerosols but have received less attention in the literature and have poorly understood health effects. The data support the radical-mediated e-liquid thermal degradation scheme that has been previously proposed and emphasize the need for more research on the chemistry and toxicology of the complex product formation in e-cigarette aerosols.
Databáze: MEDLINE