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231225s2020 xx |||||o 00| ||eng c |
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|a 10.1002/mrc.4999
|2 doi
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|a pubmed24n1018.xml
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|a (DE-627)NLM305435027
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|a (NLM)31945193
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|a DE-627
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|a eng
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| 100 |
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|a Tennant, Thomas
|e verfasserin
|4 aut
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|a Benchtop NMR analysis of piperazine-based drugs hyperpolarised by SABRE
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|c 2020
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|a Date Completed 13.07.2021
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|a Date Revised 13.07.2021
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|a published: Print-Electronic
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|a Citation Status MEDLINE
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|a © 2020 John Wiley & Sons, Ltd.
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|a Piperazine-based drugs, such as N-benzylpiperazine (BZP), became attractive in the 2000s due to possessing effects similar to amphetamines. Herein, BZP, in addition to its pyridyl analogues, 2-, 3-, and 4-pyridylmethylpiperidine (2-PMP, 3-PMP, and 4-PMP respectively) was subjected to the hyperpolarisation technique Signal Amplification By Reversible Exchange (SABRE) in order to demonstrate the use of this technique to detect these piperazine-based drugs. Although BZP was not hyperpolarised via SABRE, 2-PMP, 3-PMP, and 4-PMP were, with the ortho- and meta-pyridyl protons of 4-PMP showing the largest enhancement of 313-fold and 267-fold, respectively, in a 1.4-T detection field, following polarisation transfer at Earth's magnetic field. In addition to the freebase, 4-PMP.3HCl was also appraised by SABRE and was found not to polarise, however, the addition of increasing equivalents of triethylamine (TEA) produced the freebase, with a maximum enhancement observed upon the addition of 3 equivalents of TEA. Further addition of TEA led to a reduction in the observed enhancement. SABRE was also employed to polarise 4-PMP.3HCl (~20% w/w) in a simulated tablet to demonstrate the forensic application of the technique (138-fold enhancement for the ortho-pyridyl protons). The amount of 4-PMP.3HCl present in the simulated tablet was quantified via NMR using D2 O as a solvent and compared well to complimentary gas chromatography-mass spectrometry data. Exchanging D2 O for CD3 OD as the solvent utilised for analysis resulted in a significantly lower amount of 4-PMP.3HCl being determined, thus highlighting safeguarding issues linked to drug abuse in relation to determining the amount of active pharmaceutical ingredient present
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|a Journal Article
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|a 1H
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|a 4-PMP
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|a N-benzylpiperazine
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|a NMR
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|a SABRE
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|a benchtop NMR
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|a parahydrogen
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|a Piperazine
|2 NLM
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|a 1RTM4PAL0V
|2 NLM
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| 700 |
1 |
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|a Hulme, Matthew C
|e verfasserin
|4 aut
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| 700 |
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|a Robertson, Thomas B R
|e verfasserin
|4 aut
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|a Sutcliffe, Oliver B
|e verfasserin
|4 aut
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|a Mewis, Ryan E
|e verfasserin
|4 aut
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|i Enthalten in
|t Magnetic resonance in chemistry : MRC
|d 1985
|g 58(2020), 12 vom: 01. Dez., Seite 1151-1159
|w (DE-627)NLM098179667
|x 1097-458X
|7 nnns
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|g volume:58
|g year:2020
|g number:12
|g day:01
|g month:12
|g pages:1151-1159
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|u http://dx.doi.org/10.1002/mrc.4999
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