Nontargeted nuclear magnetic resonance (NMR) analysis to detect hazardous substances including methanol in unrecorded alcohol from Novosibirsk, Russia

Thomas Hausler,a,b Alex O.Okaru,a,c Maria Neufeld,d,e Jürgen Rehm,d,e Thomas Kuballa,a Burkhard Luyb and Dirk W. Lachenmeiera,e*
aChemisches undVeterinäruntersuchungsamt (CVUA) Karlsruhe, Weissenburger Straße 3, 76187 Karlsruhe, Germany.
E-mails: [email protected]; [email protected]; Corresponding Author: [email protected]
bInstitute of Organic Chemistry and Institute for Biological Interfaces 4 – Magnetic Resonance, Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 6, 76131 Karlsruhe, Germany. E-mail: [email protected]
cDepartment of Pharmaceutical Chemistry, University of Nairobi, Off Ngong Road, Nairobi, P.O. Box 19676-00202 Nairobi, Kenya. E-mail: [email protected]
dCentre for Addiction and Mental Health (CAMH), 33 RussellStreet, Toronto, ON M5S 2S1 Canada: E-mails: [email protected]; [email protected]
eInstitute for Clinical Psychology and Psychotherapy, TU Dresden, Chemnitzer Str. 46, 01187 Dresden, Germany

Nuclearmagnetic resonance (NMR) spectroscopy was applied to the analysis of alcoholic products in the context of health and safety control. A total of 86 samples of unrecorded alcohol were collected in Novosibirsk and nearby cities in Russia. Sampling wasbased on interviews with alcohol dependent patients, and unrecorded alcohol thus defined included illegally or informally produced alcoholic products (e.g., counterfeit or home-made alcoholic beverages) or surrogate alcohol in the form of cosmetic ormedicinal products and industrial non-beverage alcohol such as antifreeze (antifreeze windshield washer fluid). For sample preparation, addition of buffer and of a water/ethanol mixture was required as single step. To detect potentially harmful samples, anontargeted approach based on principal component analysis (PCA) was applied. The PCA scores plot shows six conspicuous samples with highly divergent scores from the rest. These samples are antifreeze windshield washer fluids containing highamounts of methanol, with concentrations in a range between 7% and 48% vol. The antifreeze products were bought in regular retail sale and were claimed as “not containing methanol” on five out of six labels. Additionally, formic acid(1.1%) was observed in four of the alcohol-containing medicinal products. The major advantage of NMR over conventional methods is the fact that it not only provides the same quantitative data for specific compounds, but also allows rapid nontargetedscreening for unknown contaminants.


(since August 2017)