Shimadzu journal Vol. 02 - Forensics / Toxicology

Importance of Topic

Advances in forensic and toxicological analysis address critical needs in criminal investigations, driving under the influence cases, clinical monitoring, food and drug safety, and emerging public health concerns such as synthetic designer drugs and medical cannabis. Highly selective, sensitive, and rapid analytical methods are essential to detect illicit substances, therapeutic agents, and contaminants in complex biological and consumer product matrices.

Study Objectives and Overview

This Shimadzu Journal issue brings together technical reports, application notes, and customer insights highlighting:

• Novel sample preparation and UHPLC–MS/MS, GC–MS/MS, and MALDI imaging methodologies for forensic toxicology.
• Development of rapid multi-analyte screening methods for drugs of abuse, pharmaceuticals, and natural products in blood, plasma, urine, and hair.
• Analytical strategies for emerging synthetic drugs (cathinones, cannabinoids) and classical poisons.
• Quality control and potency testing in the expanding medical cannabis industry.
• New product releases: Smart Forensic Database for GC-MS/MS, next-generation 2D chromatography (e-Series), imaging mass spectrometry (iMScope TRIO), and simultaneous ICP–AES (ICPE-9800).
• Collaboration with the MacCoss Lab to integrate Skyline quantitative proteomics software with Shimadzu triple-quad platforms.

Methodology and Instrumentation

• QuEChERS Sample Preparation + UHPLC-MS/MS: Quick, cost-effective extraction of 58 analytes (opiates, amphetamines, cocaine/metabolites) in blood, plasma, and urine with LCMS-8050/8040 and Restek PFPP column (5 min runs, LLOQ 5 µg/L, no carry-over).
• GC–MS/MS in Scan/MRM/Product-Ion Modes: Multi-stage identification and confirmation of designer drugs, forensic toxicants, and pesticide residues using Smart Forensic Database.
• MALDI-MS Imaging: Single-hair longitudinal section mapping of methamphetamine distribution for history of drug exposure.
• On-line SPE-LC/MS: Automated urine screening for amphetamines to meet updated SAMHSA guidelines.
• 2D Chromatography e-Series: Nexera-e LC×LC and Ultra-e GC×GC systems for enhanced separation of structural isomers in complex matrices, paired with ChromSquare software.
• iMScope TRIO: Integrated optical microscopy and high-resolution IT-TOF imaging MS for 5 µm spatial molecular mapping in tissues and materials.
• ICPE-9800 Simultaneous ICP-AES: Eco mode, rapid rinse, and wavelength-simultaneous detection for elemental analysis with low operating cost.

Main Results and Discussion

• UHPLC-MS/MS with QuEChERS achieved isomeric separations (ephedrine/pseudoephedrine), 2 min chromatography, reduced matrix effects, and high throughput for driving-under-influence testing.
• Smart Forensic Database (201 compounds, 1200 MRMs) enabled rapid MRM method generation and simultaneous Scan/MRM screening of toxicants without complex parameter configuration.
• Synthetic cannabinoid and cathinone screening methods distinguished isomers and reported metabolic pathways in human liver microsomes.
• Cannabinoid potency testing by HPLC (THC, CBD, CBN) and pesticide/microbial screening improved quality control in the legalized medical cannabis sector.
• Integration of Skyline with Shimadzu triple-quad platforms facilitates targeted proteomics studies, leveraging scheduled MRM, optimized dwell times, and cross-platform method sharing.

Benefits and Practical Applications

• Forensic toxicology: Faster sample prep and analysis reduce turnaround time in criminal cases, DUID investigations, and poison exposure incidents.
• Clinical drug monitoring: High sensitivity enables therapeutic drug monitoring (immunosuppressants, anticonvulsants) with limited sample volumes.
• Food and environmental safety: Rapid multiresidue pesticide and mycotoxin screening in baby foods, meats, and plant-derived products.
• Medical cannabis testing: Accurate potency, contaminant, and microbial assays support patient safety and regulatory compliance.
• Proteomics and biomarker research: Streamlined SRM/MRM workflows for candidate validation and quantitative Clinical Chemistry Proteomics.

Future Trends and Potential Uses

• Expansion of Clinical Chemistry Proteomics (qCCP) for biomarker quantitation using UF-MS and triple-quad integration.
• Development of rapid point-of-care screening devices (saliva, breath, finger-stick) for drugged driving enforcement.
• Growth of 2D and imaging MS platforms for in situ molecular mapping in diagnostics, forensics, and materials science.
• Standardization of cannabinoid and contaminant test methods to support broader cannabis legalization and research.
• Increased use of MALDI-MS and qPCR for fast microbial and mycotoxin detection in food safety applications.

Conclusion

This issue demonstrates how innovative sample preparation techniques, advanced MS instrumentation, and informatics solutions are transforming forensic, toxicological, pharmaceutical, and natural product analyses. Shimadzu’s collaborations, new product launches, and open-source software support aim to deliver comprehensive analytical workflows that meet evolving regulatory and research demands.

References

1. Anastassiades et al., J. AOAC Int. 86 (2003), 412–431: QuEChERS sample prep.
2. Woillard et al., Br. J. Clin. Pharmacol. 78 (2014), 836–846: Immunosuppressant PK tools.
3. Mohaud et al., Clin. Chem. 60 (2014), 353–360: Calcineurin activity assay by LC-MS/MS.
4. Tsuchihashi et al., Forensic Toxicol. 31 (2013), 292–300: Isomer differentiation by GC–MS/MS.
5. Miki et al., Forensic Toxicol. 29 (2011), 111–116: Hair MALDI-MS imaging of methamphetamine.