Free-Base Nicotine Determination in Electronic Cigarette Liquids by 1H NMR Spectroscopy
Authors:
- Anna K. DuellADAnna K. Duell
- James F. PankowJPJames F. Pankow
- David H. PeytonDPDavid H. Peyton
Open Access
- 18 May 2018
- journal article
- research article
- Published by American Chemical Society (ACS) in Chemical Research in Toxicology
- Vol. 31 (6) , 431-434
Abstract
E-liquids usually contain significant nicotine, which will exist primarily in two forms, monoprotonated and free-base the proportions are alterable through the effective pH of the medium. The fraction of nicotine in the free-base form is αfb, with 0 < αfb < 1. When dosed via aerosol, the two nicotine forms have different mechanisms and kinetics of delivery, as well as differing implications for harshness of the inhaled aerosol, so αfb is relevant regarding abuse liability. Previous attempts to determine αfb in electronic cigarette liquids and vapor have been flawed. We employed the exchange-averaged 1H NMR chemical shifts of nicotine to determine αfb in samples of e-liquids. The method is rapid, direct, and can also be used with collected aerosol material. The e-liquids tested were found to have 0.03 < αfb < 0.84. αfb values in collected aerosol liquid samples were highly correlated with those for the parent e-liquids.Keywords
Funding Information
- National Institute of Environmental Health Sciences (R01ES025257)
- Center for Tobacco Products
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