Shimadzu Journal Vol. 10 - Forensics / Toxicology

Importance of the topic

Forensic toxicology and micro‐analytical techniques play a crucial role in public safety, judicial investigations and quality control. Emerging psychoactive substances demand high‐specificity methods to detect and differentiate structural and positional isomers, while rapid screening in complex biological matrices is essential for timely decision-making. Infrared and Raman microscopy add visualization of molecular distributions in minute samples such as hair cross-sections, further enriching forensic evidence.

Objectives and Study Overview

This issue of Shimadzu Journal highlights multidisciplinary advances in forensics/toxicology by presenting three core studies: 1) GC-MS/MS based detection and differentiation of synthetic cannabinoid isomers; 2) rapid, direct drug screening in whole blood using a probe inlet combined with Q-TOF MS and data-independent acquisition; and 3) infrared microscopy mapping of human hair cross-sections to visualize biochemical damage.

Methodology and Instrumentation

The studies employed the following approaches and instruments:

• GC-TQMS NX (GCMS-TQ8050 NX) with simultaneous MRM and product-ion scan for eight structural isomers of JWH-018 and four positional isomers of fluoro-PB-22.
• DPiMS QT probe module with LCMS-9030 Q-TOF MS, employing 1 Da isolation windows (iDIA) for comprehensive MS/MS of blood extracts.
• AIM-9000 infrared microscope with 10 × 10 µm aperture and 5 µm step mapping to record distribution of amide I and cysteic acid in 3 µm human hair sections.
• Sample preparation tools including micro-QuEChERS for blood screening and microtome sectioning (HistoCore NANOCUT R) for hair.

Main Results and Discussion

1) All eight JWH-018 isomers and four fluoro-PB-22 isomers were unambiguously differentiated by distinctive MRM transitions and PIS spectral matching (> 80% similarity) with intra- and inter-day RSDs < 6%.
2) Seventeen drugs spiked in whole blood (500 ng/mL) were qualitatively screened within a 3 min run. Library matching scores ranged from 84 to 100, demonstrating high confidence in identifying target compounds despite matrix interference.
3) Infrared mapping of untreated and permed/bleached hair revealed uniform amide I distribution and widespread cysteic acid formation only in treated hair, correlating with protein damage from chemical processing.

Benefits and Practical Applications

• The GC-MS/MS MRM/PIS strategy enables precise isomer differentiation required for legal control of new psychoactive substances.
• DPiMS QT with LC-QTOF delivers ultra-fast, minimal-prep drug screening, suitable for high-throughput toxicology laboratories.
• Infrared microscopy mapping offers label-free, non-destructive visualization of molecular damage in biological micro-samples.

Future Trends and Potential Applications

– Further integration of AI for automated spectral interpretation and predictive method development.
– Expansion of green analytical protocols with minimal solvent and sample use.
– Development of 2-in-1 platforms combining FTIR and Raman for comprehensive microanalysis.
– Adoption of automated, probe-based direct sampling for rapid clinical testing.
– Advances in cell-based assays and mass imaging for pharmaceutical and environmental forensics.

Conclusion

The studies showcased in this issue demonstrate Shimadzu’s commitment to delivering cutting-edge analytical solutions for forensic toxicology and microanalysis. By combining high-performance instrumentation, streamlined workflows, and advanced software, these methods provide the sensitivity, specificity, and throughput required to meet evolving societal and regulatory challenges.

References

• Lahey, C., Kiang, C. C., & Sakamoto, Y. (2023). Detection and differentiation of synthetic cannabinoid isomers by gas chromatography product-ion spectrometry. Shimadzu Journal, 10(2), 47–51.
• Imoto, E., & Murata, T. (2023). Qualitative screening of drugs in whole blood by DPiMS QT installed LCMS-9030. Shimadzu Journal, 10(2), 52–54.
• Iwasaki, S. (2023). Human hair cross-section analysis using the AIM-9000 infrared microscope. Shimadzu Journal, 10(2), 55–57.