HRMAS NMR spectroscopy combined with chemometrics as an alternative analytical tool to control cigarette authenticity

Abstract

In this paper, we present for the first time the use of high-resolution magic angle spinning nuclear magnetic resonance (HRMAS NMR) spectroscopy combined with chemometrics as an alternative tool for the characterization of tobacco products from different commercial international brands as well as for the identification of counterfeits. Although cigarette filling is a very complex chemical mixture, we were able to discriminate between dark, bright, and additive-free cigarette blends belonging to six different filter-cigarette brands, commercially available, using an approach for which no extraction procedure is required. Second, we focused our study on a specific worldwide-distributed brand for which established counterfeits were available. We discriminated those from their genuine counterparts with 100% accuracy using unsupervised multivariate statistical analysis. The counterfeits that we analyzed showed a higher amount of nicotine and solanesol and a lower content of sugars, all endogenous tobacco leaf metabolites. This preliminary study demonstrates the great potential of HRMAS NMR spectroscopy to help in controlling cigarette authenticity.

Physical and chemical assessment of 1,3 Propanediol as a potential substitute of propylene glycol in refill liquid for electronic cigarettes

“…The pH of the nicotine environment may results in a single or double nicotine protonation that influences all the hydrogen atoms around the protonated sites, leading to varying chemical shifts. The NMR profiles of cigarette smoke condensate 44 or in EC device 45 may lead to complex NMR profiles difficult to globally interpret, although NMR is used to verify cigarette authenticity 46 . The measured chemical shifts by 1 H NMR clearly showed that the PG + VG e-liquids corresponded to pH 8 whereas PDO generates a more basic environment, equivalent to pH 10.…”