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<meta name="author" content="Mirjam de Bruin, together with Gerrit-Jan de Bruin" />
<meta name="description" content="Chemical attribution of fentanyl: The effect of human metabolism." />
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<div class="banner"><img src="images/Abstract.jpg" /><h1>Chemical attribution of fentanyl: The effect of human metabolism</h1></div>
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<p>Chemical attribution typically aims to establish a link between material found at a crime scene and a person,
location or other evidence. In the field of illicit drugs, chemical attribution signatures are usually impurity
profiles. Extending these to metabolized samples would create new possibilities in forensic investigations. The
present study explores the effect of human metabolism on the impurity profile of fentanyl, as representative of
synthetic opioids. Two different methods (Gupta and Siegfried) were used to synthesize fentanyl, after which the
samples were incubated with liver microsomes to mimic human metabolism. The impurity profiles have been
characterized with gas chromatography-mass spectrometry (GC-MS), gas chromatography with flame ionization
detector (GC-FID), liquid chromatography quadrupole-time of flight mass spectrometry (LC-Q-TOF-MS) and
liquid chromatography orbitrap mass spectrometry (LC-Orbitrap-MS).</p>
<blockquote class="blockquote">"Extending chemical attribution signatures to metabolized samples would create new possibilities in forensic investigations."</blockquote>
<p>It was found that GC-FID and LC-Orbitrap-
MS can both be used to discriminate between the Gupta and Siegfried synthesis method. This holds both for the
analyses performed before and after metabolism. In addition, principal component analysis (PCA) identified
acetyl fentanyl as the most important marker compound. Associated detection limits are in the range of concentrations
expected in case work. While acetyl fentanyl is not stable during metabolism, its discriminating
potential is transferred to its metabolic product acetyl norfentanyl. In addition, the stable impurities phenylacetamide
and 1-phenylethylpiperidin-4-ol were found to be significant classifiers. To implement the results in a
forensic framework, linear discriminant analysis (LDA) was applied and used to establish likelihood ratios. To
our knowledge, the present work demonstrates for the first time the possibility of chemical attribution of drugs
through the analysis of metabolic trace levels in biological samples.</p>
<blockquote class="blockquote">“The present work demonstrates for the first time the possibility of chemical attribution of drugs
through the analysis of metabolic trace levels in biological samples.”</blockquote>
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<div><a href="https://www.sciencedirect.com/science/article/pii/S2468170921000266" target="_blank">M. de Bruin-Hoegée, D. Kleiweg, D. Noort, A.C. Asten, Chemical attribution of fentanyl: The effect of human metabolism, <em>Forensic Chem.</em> 24 (2021). https://doi.org/10.1016/j.forc.2021.100330.</a></div>
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