High-field and benchtop NMR spectroscopy for the characterization of new psychoactive substances

被引:28
作者
Castaing-Cordier, Thomas [1 ]
Ladroue, Virginie [2 ]
Besacier, Fabrice [2 ]
Bulete, Audrey [2 ]
Jacquemin, Denis [1 ]
Giraudeau, Patrick [1 ]
Farjon, Jonathan [1 ]
机构
[1] Univ Nantes, CNRS, CEISAM UMR 6230, F-44000 Nantes, France
[2] Inst Natl Police Sci INPS, Lab Lyon LPS69, F-69134 Ecully, France
关键词
New psychoactive substances; High field NMR spectroscopy; Benchtop NMR spectrometer; Structure elucidation; Quantification; STRUCTURE ELUCIDATION; IDENTIFICATION; AUTHENTICATION; SPECTROMETER; MIXTURES; PURITY; MASS; NPS;
D O I
10.1016/j.forsciint.2021.110718
中图分类号
DF [法律]; D9 [法律]; R [医药、卫生];
学科分类号
0301 ; 10 ;
摘要
New psychoactive substances (NPS) have become a serious threat to public health in Europe due to their ability to be sold in the street or on the darknet. Regulating NPS is an urgent priority but comes with a number of analytical challenges since they are structurally similar to legal products. A number of analytical techniques can be used for identifying NPS, among which NMR spectroscopy is a gold standard. High field NMR is typically used for structural elucidation in combination with others techniques like GC-MS, Infrared spectroscopy, together with databases. In addition to their strong ability to elucidate molecular structures, high field NMR techniques are the gold standard for quantification without any physical isolation procedure and with a single internal standard. However, high field NMR remains expensive and emerging "benchtop" NMR apparatus which are cheaper and transportable can be considered as valuable alternatives to high field NMR. Indeed, benchtop NMR, which emerged about ten years ago, makes it possible to carry out structural elucidation and quantification of NPS despite the gap in resolution and sensitivity as compared to high field NMR. This review describes recent advances in the field of NMR applied to the characterization of NPS. High-field NMR methods are first described in view of their complementarity with other analytical methods, focusing on both structural and quantitative aspects. The second part of the review highlights how emerging benchtop NMR approaches could act as a game changer in the field of forensics. (C) 2021 Elsevier B.V. All rights reserved.
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页数:8
相关论文
共 42 条
[11]   Predicting 13C NMR spectra by DFT calculations [J].
Bagno, A ;
Rastrelli, F ;
Saielli, G .
JOURNAL OF PHYSICAL CHEMISTRY A, 2003, 107 (46) :9964-9973
[12]   Determining the Regiochemistry and Relative Stereochemistry of Small and Druglike Molecules Using an Alignment Algorithm for Infrared Spectra [J].
Boselt, Lennard ;
Doetzer, Reinhard ;
Steiner, Sandra ;
Stritzinger, Michaela ;
Salzmann, Susanne ;
Riniker, Sereina .
ANALYTICAL CHEMISTRY, 2020, 92 (13) :9124-9131
[13]   GC-MS, GC-QTOF and NMR analyses to elucidate composition of 41 powders from an NPS collector [J].
Bottinelli, Charline ;
Revelut, Kevin ;
Hologne, Maggy ;
Gaillard, Yvan ;
Bevalot, Fabien .
TOXICOLOGIE ANALYTIQUE ET CLINIQUE, 2019, 31 (04) :275-282
[14]   Benchtop flow NMR spectroscopy as an online device for the in vivo monitoring of lipid accumulation in microalgae [J].
Bouillaud, Dylan ;
Heredia, Vladimir ;
Castaing-Cordier, Thomas ;
Drouin, Delphine ;
Charrier, Benoit ;
Goncalves, Olivier ;
Farjon, Jonathan ;
Giraudeau, Patrick .
ALGAL RESEARCH-BIOMASS BIOFUELS AND BIOPRODUCTS, 2019, 43
[15]   Highly Resolved Pure-Shift Spectra on a Compact NMR Spectrometer [J].
Castaing-Cordier, Thomas ;
Bouillaud, Dylan ;
Bowyer, Paul ;
Gonsalves, Olivier ;
Giraudeau, Patrick ;
Farjon, Jonathan .
CHEMPHYSCHEM, 2019, 20 (05) :736-744
[16]  
Dcebska B.J., 2006, SPECTRAL DATABASES I, DOI [10.1002/9780470027318.a5612, DOI 10.1002/9780470027318.A5612]
[17]   Differentiation of fentanyl analogues by low-field NMR spectroscopy [J].
Duffy, Jonathan ;
Urbas, Aaron ;
Niemitz, Matthias ;
Lippa, Katrice ;
Marginean, Ioan .
ANALYTICA CHIMICA ACTA, 2019, 1049 :161-169
[18]   Keeping pace with NPS releases: fast GC-MS screening of legal high products [J].
Elie, Mathieu P. ;
Elie, Leonie E. ;
Baron, Mark G. .
DRUG TESTING AND ANALYSIS, 2013, 5 (05) :281-290
[19]  
European Monitoring Centre for Drugs and Drug Addiction, 2018, EUR DRUG REP TRENDS
[20]   4F-PBP (4′-fluoro-α-pyrrolidinobutyrophenone), a new substance of abuse: Structural characterization and purity NMR profiling [J].
Gaspar, Helena ;
Bronze, Soraia ;
Ciriaco, Sara ;
Queiros, Cladio Rafael ;
Matias, Ana ;
Rodrigues, Joao ;
Oliveira, Cristina ;
Cordeiro, Carlos ;
Santos, Susana .
FORENSIC SCIENCE INTERNATIONAL, 2015, 252 :168-176