Hyperpolarised NMR to aid molecular profiling of electronic cigarette aerosols.

Ben J Tickner,Ville-Veikko Telkki,Sanna Komulainen,Sanna Palosaari,Petri Lehenkari,Vladimir V Zhivonitko,Janne Heikkinen

doi:10.1039/d1ra07376a

Ben J Tickner, Ville-Veikko Telkki + Show 5 more

Open Access

https://doi.org/10.1039/d1ra07376a

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Journal: RSC advances	Publication Date: Jan 1, 2022
Citations: 3	License type: CC BY 3.0

Affiliation: University of Oulu, Oulu University Hospital

Abstract

Signal amplification by reversible exchange (SABRE) hyperpolarisation is used to enhance the NMR signals of nicotine and acrolein in methanol-d4 solutions of electronic cigarette aerosols. Consequently, detection of 74 μM nicotine is possible in just a single scan 1H NMR spectrum. The first example of an aldehyde hyperpolarised using SABRE is demonstrated and we work towards novel real-world applications of SABRE-hyperpolarised NMR for chemical analysis.

Highlights

Electronic cigarette aerosols are becoming increasingly popular with an estimated 41 million users as of 2018.1,2 Unlike traditional cigarettes that involve tobacco combustion, electronic cigarettes heat and vapourise cigarette uid
In this work we investigate the use of SABREhyperpolarisation to enhance Nuclear Magnetic Resonance (NMR) signals for analytes of interest, such as nicotine, and use this sensitivity boost to aid chemical analysis of electronic cigarette aerosol solutions when analyte concentrations are much lower than mM levels
Hyperpolarised nicotine 1H NMR signals could be observed when 3 mL of the nicotine-containing Ecig aerosol solution was added to a preactivated sample of [IrCl(COD)(IMes)] (2 mM), imidazole (15 equiv.) and pH2 (3 bar) in methanol-d4 (0.6 mL) and Signal amplification by reversible exchange (SABRE) experiments performed (Fig. 4c)

Summary

Introduction

Electronic cigarette aerosols are becoming increasingly popular with an estimated 41 million users as of 2018.1,2 Unlike traditional cigarettes that involve tobacco combustion, electronic cigarettes heat and vapourise cigarette uid The composition of these inhaled aerosols, which are o en studied using techniques such as Gas Chromatography Mass spectrometry (GCMS) or Nuclear Magnetic Resonance (NMR) is not fully understood.[1,2] A greater understanding of the chemical composition of these aerosols, and their solutions, is essential given the role they may play in user's health. Nuclear spin hyperpolarisation can generate NMR signals enhanced by many orders of magnitude compared to those recorded using thermal polarisation.[4] Signal Ampli cation By Reversible Exchange (SABRE) is one such hyperpolarisation technique that uses parahydrogen (pH2) as its source of enhanced magnetisation, which is a spin isomer of dihydrogen that is cheap and easy to produce. Use of SABRE-hyperpolarised NMR for mixture analysis is promising as it provides a method for boosting the NMR signals of many low concentration analytes.[24,25,26,27,28,29,30] In this work, the NMR sensitivity improvements that SABRE hyperpolarisation can provide are employed to aid detection of low concentration analytes in electronic cigarette aerosols dissolved in methanol-d4 using NMR

Results and discussion

Conclusions

Data availability statement