Quantification of mixtures of analogues of illicit substances by benchtop NMR spectroscopy

Lee, Yejin; Matviychuk, Yevgen; Bogun, Ben; Johnson, Cort; Holland, Daniel J.

doi:10.1016/j.jmr.2021.107138

Cited by 5 publications

(3 citation statements)

References 33 publications

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“…N ‐ipb has been used originally as an organic intermediate for pharmaceutical compounds and as a precursor for drug production 16 . In New Zealand, many products of ‘pure METH’ sold in the street are adulterated with at least 50% of N ‐ipb 17 . Additionally, drug dealers in China have sold N ‐ipb as fake ‘Ice’ METH in many recorded cases.…”

Section: Introductionmentioning

confidence: 99%

“… 16 In New Zealand, many products of ‘pure METH’ sold in the street are adulterated with at least 50% of N ‐ipb. 17 Additionally, drug dealers in China have sold N ‐ipb as fake ‘Ice’ METH in many recorded cases. Although N ‐ipb is a border controlled substance in Australia, it is not currently known as a controlled substance in other countries.…”

Section: Introductionmentioning

confidence: 99%

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N‐Isopropylbenzylamine‐induced conditioned place preference, sensitization behaviour and self‐administration in rodents

Lai,

Fu,

et al. 2024

Addiction Biology

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N‐Isopropylbenzylamine (N‐ipb), a chain isomer of methamphetamine (METH) with similar physical properties, has been used as a substitute for METH in seized drug samples. However, the abuse potential of N‐ipb remains unclear. Therefore, this study aimed to evaluate the abuse potential of N‐ipb in comparison to METH, by using conditioned place preference (CPP), locomotor sensitization and intravenous self‐administration tests. The results showed that N‐ipb at a dose of 3 mg·kg−1 significantly induced CPP in mice, which was comparable to the effect of METH at 1 mg·kg−1. Either acute or repeated N‐ipb injections (1 or 3 mg·kg−1) failed to raise the locomotor activity. However, acute treatment with 10 mg·kg−1 N‐ipb elevated the locomotor activity compared with saline, while chronic injection of 10 mg·kg−1 N‐ipb induced a delayed and attenuated sensitization compared with 1 mg·kg−1 METH. Rats could acquire N‐ipb self‐administration at a dose of 1 mg·kg−1·infusion−1, and a typical inverted U‐shaped dose–response curve was obtained for N‐ipb. The mean dose of N‐ipb that maintained the maximum response was greater than that of METH, indicating that N‐ipb is less potent for reinforcement than METH. In the economic behavioural analysis, comparison of essential values derived from the demand elasticity revealed that N‐ipb is less efficacy as a reinforcer than METH. The present data demonstrate that N‐ipb functions as a reinforcer and has a potential for abuse. However, the potency of psychomotor stimulation and the reinforcing effectiveness of N‐ipb are lower than those of METH.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

N‐Isopropylbenzylamine‐induced conditioned place preference, sensitization behaviour and self‐administration in rodents

Lai,

Fu,

et al. 2024

Addiction Biology

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“…NMR spectroscopy has also successfully been applied for the component-specific analysis of mixtures, yielding both qualitative and quantitative information on the composition. [6][7][8][9][10][11] However, in complex mixtures, elucidating all components and determining their concentrations is only tedious in the best case; in the worst case, it is infeasible. Suppose all components in a mixture are known, and only their concentrations are unknown.…”

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confidence: 99%

Automated nuclear magnetic resonance fingerprinting of mixtures

Specht

Arweiler

Stüber

et al. 2023

Magnetic Reson in Chemistry

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Nuclear magnetic resonance (NMR) spectroscopy is a powerful tool for qualitative and quantitative analysis. However, for complex mixtures, determining the speciation from NMR spectra can be tedious and sometimes even unfeasible. On the other hand, identifying and quantifying structural groups in a mixture from NMR spectra is much easier than doing the same for components. We call this group‐based approach “NMR fingerprinting.” In this work, we show that NMR fingerprinting can even be performed in an automated way, without expert knowledge, based only on standard NMR spectra, namely, 13C, 1H, and 13C DEPT NMR spectra. Our approach is based on the machine‐learning method of support vector classification (SVC), which was trained here on thousands of labeled pure‐component NMR spectra from open‐source data banks. We demonstrate the applicability of the automated NMR fingerprinting using test mixtures, of which spectra were taken using a simple benchtop NMR spectrometer. The results from the NMR fingerprinting agree remarkably well with the ground truth, which was known from the gravimetric preparation of the samples. To facilitate the application of the method, we provide an interactive website (https://nmr-fingerprinting.de), where spectral information can be uploaded and which returns the NMR fingerprint. The NMR fingerprinting can be used in many ways, for example, for process monitoring or thermodynamic modeling using group‐contribution methods—or simply as a first step in species analysis.

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Quantitative NMR in Quality Control

Liu

2024

Quality Control of Chinese Medicines

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Quantification of mixtures of analogues of illicit substances by benchtop NMR spectroscopy

Cited by 5 publications

References 33 publications

N‐Isopropylbenzylamine‐induced conditioned place preference, sensitization behaviour and self‐administration in rodents

N‐Isopropylbenzylamine‐induced conditioned place preference, sensitization behaviour and self‐administration in rodents

Automated nuclear magnetic resonance fingerprinting of mixtures

Quantitative NMR in Quality Control

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