The Use of Single Crystal X-Ray Diffraction Technique for Characterization of 25I-NBOMe and 25R-NBOH (R = Cl, I, Br, Et) in Forensic Application
Maria Lucena, Karen Lopes, Alejandro Ayala, Laura Vidal, Thiago Lopes, Nágila Ricardo
Journal of the Brazilian Chemical Society January 1, 2023 DOI: 10.21577/0103-5053.20220130 (opens in new tab)
Summary
AI-generated from the abstractNew psychoactive substances (NPS) are created to evade drug regulations, and early warning systems (EWS) help detect them. Since August 2021, Brazil has been establishing a national EWS. Forensic laboratories play a key role by using reliable analytical techniques to identify NPS. This work used single-crystal X-ray diffraction (XRD) to determine the molecular structures of 25R-NBOH and 25I-NBOMe from seized blotter paper. XRD also helped create reference data for FTIR and mass spectrometry databases. The results showed that molecular structure methods are essential for unambiguous NPS identification and that XRD has potential as a reference method in forensic analysis.
Study at a glance
| Characteristics | Methodological study Peer reviewed |
|---|---|
| Population | Seized blotter paper containing NPS 25R-NBOH and 25I-NBOMe |
| Key finding | Single-crystal X-ray diffraction can unambiguously elucidate the molecular structures of NPS and serve as a reference method for forensic laboratories. |
Abstract
Criminal minds create new psychoactive substances (NPS) to dribble the Drug Regulatory System. Early Warning Systems (EWA) were instituted worldwide to combat this practice. Brazilian government has started establishing EWA at a national level since August 2021. The role of drug analysis laboratories in EWA is very important and experts working at forensic laboratories are in the main position to detect NPS and any changes in the molecular structures. However, for this practice, it is necessary to use reliable analyses techniques for unequivocal identification. The goal of this work is to use single-crystal X-ray diffraction (XRD) to detect the presence of NPS and elucidate its molecular structure using single crystals from a seized blotter paper. XRD is also useful to prepare reference substances to produce entries to be included in Fourier transformed infrared spectroscopy (FTIR) and mass spectrometry databases, which are some of the most relevant routine techniques in forensic laboratories. This approach was used to study the NPS 25R-NBOH and 25I-NBOMe using XRD, FTIR, Raman, and nuclear magnetic resonance spectroscopies. The results showed that molecular structure methods must be used to elucidate NPS in an unambiguous manner and the potential of XRD use in the forensic area as a reference method.