title: Elemental and molecular profiling of licit, illicit, and niche tobacco.
abstract: The recognition of differences between regulated large-scale mass manufactured products and the uncontrolled cultivation of tobaccos for illicit purposes plays a significant role within identification of provenance. This research highlights X-ray fluorescence and Fourier transform infrared spectroscopy as useful analytical techniques for the rapid identification of tobacco samples of unknown provenance. Identification of key discriminative features within each technique allowed for the development of typical characteristic profiles for each type of tobacco. Analysis using X-ray fluorescence highlights chlorine, potassium, calcium and iron as key elemental indicators of tobacco provenance. Significant levels of chlorine seen within Snüs samples prompted attempts to visualise chlorine containing regions and structures within the sample. Scanning electron microscopy images showed crystalline structures visible within the Snüs tobacco, structures which Energy dispersive X-ray spectroscopy qualitatively confirmed to contain chlorine. Chloride levels within Snüs samples were quantified using ion chromatography with levels found to range between 0.87mgmL(-1) and 1.28mg. Additionally, FTIR indicated that absorbances attributed to carbonyl stretching at 1050-1150cm(-1), alkane bending at 1350-1480cm(-1) and amide I stretching at 1600-1700cm(-1) highlighting a spectral fingerprint region that allowed for the clear differentiation between different types of tobaccos using PCA analysis, but was limited by differentiation between provenance of cigarettes and hand rolled tobacco. X-ray fluorescence and Fourier transform infrared spectroscopy yielded different information with regards tobacco discrimination and provenance, however both methods overall analysis time and cost reduced indicating usefulness as potential handheld analytical techniques in the field.
authors: Centre for Materials Science, Division of Chemistry, University of Central Lancashire, Fylde Road, PR1 2HE, United Kingdom; Centre for Regional and Rural Futures, Deakin University, Locked Bag 20000, Geelong, Victoria 3220, Australia. Electronic address: kquayle@deakin.edu.au.
authors: Kim
authors: K
authors: Quayle
authors: Centre for Materials Science, Division of Chemistry, University of Central Lancashire, Fylde Road, PR1 2HE, United Kingdom.
authors: Graeme
authors: G
authors: Clemens
authors: Centre for Materials Science, Division of Chemistry, University of Central Lancashire, Fylde Road, PR1 2HE, United Kingdom.
authors: Tamar Garcia
authors: TG
authors: Sorribes
authors: Centre for Materials Science, Division of Chemistry, University of Central Lancashire, Fylde Road, PR1 2HE, United Kingdom.
authors: Hannah M
authors: HM
authors: Kinvig
authors: Centre for Chemistry and Biotechnology, Deakin University, Locked Bag 20000, Geelong, Victoria 3220, Australia.
authors: Paul G
authors: PG
authors: Stevenson
authors: Centre for Chemistry and Biotechnology, Deakin University, Locked Bag 20000, Geelong, Victoria 3220, Australia.
authors: Xavier A
authors: XA
authors: Conlan
authors: Centre for Materials Science, Division of Chemistry, University of Central Lancashire, Fylde Road, PR1 2HE, United Kingdom; West CHEM, Department of Pure and Applied Chemistry, Technology and Innovation Centre, University of Strathclyde, 99 George Street, G1 1RD Glasgow, United Kingdom. Electronic address: matthew.baker@strath.ac.uk.
authors: Matthew J
authors: MJ
authors: Baker
mesh_terms: D006801:Humans; D008856:Microscopy, Fluorescence; D017550:Spectroscopy, Fourier Transform Infrared; D014026:Nicotiana / Q000737:chemistry*
keywords: Elemental analysis; FTIR; Illicit tobacco; Spectroscopy; Tobacco; XRF