Dataset of near-infrared spectral data of illicit-drugs and forensic casework samples analyzed by five portable spectrometers operating in different wavelength ranges

Ruben F Kranenburg; Yannick Weesepoel; Martin Alewijn; Sharon Sap; Peter W F Arisz; Annette van Esch; Peter H J Keizers; Arian C van Asten

doi:10.1016/j.dib.2022.108660

Dataset of near-infrared spectral data of illicit-drugs and forensic casework samples analyzed by five portable spectrometers operating in different wavelength ranges

Data Brief. 2022 Oct 7:45:108660. doi: 10.1016/j.dib.2022.108660. eCollection 2022 Dec.

Authors

Ruben F Kranenburg^{1

2}, Yannick Weesepoel³, Martin Alewijn³, Sharon Sap⁴, Peter W F Arisz⁴, Annette van Esch⁵, Peter H J Keizers⁶, Arian C van Asten^{2

7}

Affiliations

¹ Dutch National Police, Forensic Laboratory, Unit Amsterdam, Kabelweg 25, Amsterdam 1014 BA, the Netherlands.
² Van't Hoff Institute for Molecular Sciences, University of Amsterdam, Postbus 94157, Amsterdam 1090 GD, the Netherlands.
³ Wageningen Food Safety Research part of Wageningen University and Research, Akkermaalsbos 2, Wageningen 6708 WB, the Netherlands.
⁴ Dutch Customs Laboratory, Kingsfordweg 1, Amsterdam 1043 GN, the Netherlands.
⁵ Netherlands Forensic Institute (NFI), Laan van Ypenburg 6, Den Haag 2497 GB, the Netherlands.
⁶ National Institute of Public Health and the Environment (RIVM), Antonie van Leeuwenhoeklaan 9, Bilthoven 3721 MA, the Netherlands.
⁷ Co van Ledden Hulsebosch Center (CLHC), Amsterdam Center for Forensic Science and Medicine, Postbus 94157, Amsterdam 1090 GD, the Netherlands.

Abstract

The increasing amount of globally seized controlled substances in combination with the more diverse drugs-of-abuse market encompassing many new psychoactive substances (NPS) provides challenges for rapid and reliable on-site presumptive drug testing. Long-established colorimetric spot tests tend to fail due to the unavailability of reliable tests for novel drugs and to false-positive reactions on commonly encountered substances. In addition, handling of samples and chemicals is required. Spectroscopic techniques do not have these disadvantages as spectra are compound-specific and non-invasive tests are possible. Near-infrared (NIR) spectroscopy is a promising technique for on-scene forensic drug detection. Numerous portable devices were introduced in the market in recent years. However, most handheld spectrometers operate in different and relatively confined wavelength ranges compared to the full 780 - 2500 nm NIR wavelength range. In addition, their spectral resolution is limited compared to benchtop instruments. This dataset presents the NIR spectra of 430 forensic samples, including regularly encountered illicit-drugs, NPS, commonly used adulterants, bulking-agents and excipients, and seized casework materials (powders and tablets). Data is available from 5 different NIR spectrometers; including a benchmark high-resolution, full range 350-2500 nm laboratory grade instrument and 4 portable spectrometers operating in the ranges of 1300-2600 nm, 1550-1950 nm, 950-1650 nm and 740-1070 nm. Via this dataset, spectra of illicit-drugs become available to institutes that typically do not have access to controlled substances. This data can be used to develop chemometric detection and classification models for illicit-drugs and provide insight in diagnostic spectral features that need to be recorded for reliable detection models. Additionally, the high-resolution, full range VIS-NIR spectra of the benchmark ASD instrument can be used for in-silica predictions of spectra in a certain wavelength range to provide insight in the optimal resolution and wavelength range of a prospective portable device.

Keywords: Diffuse reflection; Drugs of abuse; Forensic science; Illicit-drug analysis; NIRS; Powder analysis; Raw spectral data; Remission spectroscopy.