Shimadzu Journal Vol. 10 - Forensics / Toxicology

Importance of Topic

The Forensics / Toxicology issue of the Shimadzu Journal highlights the critical role of advanced analytical instrumentation and methodologies in modern forensic and toxicological investigations. As new psychoactive substances (NPS) emerge and legal requirements evolve, laboratories require robust, sensitive, and rapid workflows to detect, identify, and quantify trace amounts of illicit drugs, poisons, and biological markers. Innovations in mass spectrometry, microscopy, and sample preparation are essential to make the invisible visible and the unknown understandable.

Objectives and Article Overview

This special issue brings together:

• Expert insights on green toxicological analysis and vaping-related public health challenges from leading academics.
• Two technical reports on synthetic cannabinoid isomer differentiation using GC–product ion spectrometry, and rapid qualitative drug screening in whole blood by DPiMS QT coupled with LCMS-9030 Q-TOF.
• A demonstration of human hair cross-section mapping of protein damage via FTIR microscopy (AIM-9000).
• An introduction to the new AIRsight IR/Raman microscope for complementary compound imaging.
• Updates on sample automation (CLAM-2040), high-throughput UHPLC-MS/MS (LCMS-2050, Nexera lite inert), and specialized libraries and kits for forensic workflows.

Methods and Instrumentation

• Shimadzu GCMS-TQ8050 NX GC-TQMS was used for simultaneous MRM and product ion scans, achieving structural and positional isomer differentiation of JWH-018 and fluoro-PB-22 compounds.
• A DPiMS QT probe with LCMS-9030 Q-TOF and iDIA acquisition enabled comprehensive 3-minute screening of 17 drugs in human whole blood with library match scores ≥84.
• FTIR microspectroscopy with the AIM-9000 and Leica microtome sectioned hair samples (3 µm) to image amide I and cysteic acid distributions, revealing damage in permed/bleached fibers.
• The new AIRsight instrument integrates FTIR and Raman capabilities on a single microscope stage, controlled by AMsolution software for combined spectra acquisition and length measurements.
• Automated sample prep module CLAM-2040 and application-specific LCMS systems accelerate multi-target toxicology screening with minimal hands-on time.

Main Results and Discussion

• JWH-018 structural isomers produced distinctive product ion spectra enabling unambiguous differentiation under optimized collision energies.
• Fluoro-PB-22 positional isomers were distinguished based on precursor-to-product ion ratio reproducibility in 1 Da isolation windows.
• Qualitative screening of whole blood detected all spiked compounds at 500 ng/mL with high-fidelity library scoring using the DPiMS QT workflow.
• Infrared mapping quantified amide I and cysteic acid variation, correlating with the degree of chemical damage in hair cross-sections.
• AIRsight’s dual-mode imaging demonstrated seamless switching between IR and Raman analyses on the same micron-scale region, improving structural elucidation.

Benefits and Practical Applications

• Sub-3 min rapid screening workflows reduce turnaround time for forensic and clinical toxicology labs.
• Minimized sample prep volumes and simplified protocols lower solvent and reagent consumption in line with green analytical chemistry principles.
• High sensitivity and reproducibility support confident identification of trace-level targets in complex biological matrices.
• Integration of infrared and Raman on a single platform maximizes lab space and provides complementary molecular information without sample relocation.
• Automated tools streamline routine workflows and free analysts for higher-value tasks.

Future Trends and Opportunities

Looking ahead, the field is moving toward:

• Expanded automation and AI-driven data analysis for non-targeted screening and library matching.
• Cell-based assay kits and multiplexed immunoassays to replace animal testing and speed drug impurity detection.
• Broader adoption of AQbD software to develop robust HPLC methods for emerging cannabinoids and other NPS.
• Enhanced mass spectrometry imaging for pharmacokinetics and spatial omics in forensic and biomedical research.
• Global standardization of methods for synthetic biology products and new psychoactive compound monitoring.

Conclusion

The combined advances in GC-TQMS, Q-TOF mass spectrometry, FTIR/Raman microscopy, and automated workflows underscore Shimadzu’s commitment to empowering forensics and toxicology professionals. These innovations deliver faster, greener, and more reliable analytical solutions to address emerging societal challenges in public safety, environmental monitoring, and clinical diagnostics.

References

• Lahey C, Kiang CC, Sakamoto Y. Detection and Differentiation of Synthetic Cannabinoid Isomers Using GC Product Ion Spectrometry. Shimadzu Journal 2023;10(2):47–51.
• Imoto E, Murata T. Qualitative Screening of Drugs in Whole Blood by DPiMS QT Installed LCMS-9030. Shimadzu Journal 2023;10(2):52–54.
• Iwasaki S. Human Hair Cross-Section Analysis Using the AIM-9000 Infrared Microscope. Shimadzu Journal 2023;10(2):55–57.