Shimadzu Journal Vol. 06 - Forensics / Toxicology

Significance of Topic

Recent advances in forensic and clinical toxicology demand faster, more reliable methods to detect and quantify drugs of abuse, new psychoactive substances and therapeutic compounds in complex biological matrices. High-throughput screening, fully automated sample preparation, and cutting-edge mass spectrometry platforms enable toxicologists to meet growing regulatory and case needs while maintaining low limits of detection and unambiguous compound identification.

Aims and Overview of the Issue

This issue of Shimadzu Journal focuses on state-of-the-art analytical methodologies in forensic toxicology. It presents collaborative research highlights, including interviews with leading experts, novel automated workflows, and applications spanning clinical and postmortem analyses. The goal is to showcase solutions that improve laboratory efficiency, data quality and decision support in both routine and challenging toxicological investigations.

Methodologies and Used Instrumentation

The following techniques and instruments underlie the featured work:

• LCMS-8060 triple quadrupole mass spectrometer with MRM spectrum mode for simultaneous non-targeted screening and targeted quantitation
• CLAM-2000 automated liquid handling module directly coupled to LCMS-8060 for online sample extraction
• Dual Nexera X2 UHPLC system with SIL-30AC autosampler and CTO-20AC column oven for rapid separation of drugs and metabolites
• Shimadzu Model 8060 Forensic Toxicology Analyzer configured for high-speed MRM acquisition
• Shimadzu GC-2010 Plus with HS-10 headspace sampler and TQ-8040 MS/MS for volatile drug screening and blood alcohol analysis
• IRSpirit FTIR spectrophotometer and AIM-9000 infrared microscope for non-targeted contaminant and material analysis
• ICPE-9820 for multi-elemental analysis of pharmaceutical impurities in compliance with ICH Q3D

Main Results and Discussion

A fully automated workflow using CLAM-2000 and LCMS-8060 achieved eight-minute online extraction and sub-10-minute chromatographic separation for 42 drugs of abuse, delivering a result every 18 minutes with no manual intervention. Method validation under ISO 15189 criteria confirmed repeatability, reproducibility, matrix equivalence and one-month stability within 20% uncertainty.

In a forensic postmortem study, two LCMS-8060 methods quantified common stimulants, opioids and multiple fentanyl analogues in whole blood with limits of quantitation as low as 0.05 ng/mL. High scan speeds (555 channels per second) and optimized dwell times yielded ≥20 data points per peak for robust integration and low noise.

Expert interviews illuminated current challenges and future directions. Prof. Franck Saint-Marcoux described spectral library development of 1,280 standards with 6,084 spectra and emphasized the need for software-assisted data review. Dr. George Hime highlighted accreditation, training and emerging new substances as key challenges in medico-legal toxicology.

Benefits and Practical Applications

The integrated automation and high-speed MRM spectrum mode reduce analyst workload, minimize errors and increase sample throughput. Simultaneous non-targeted and targeted data acquisition enables retrospective data mining for unknown substances. Robust quantitation of ultra-low level drugs supports clinical decisions and forensic casework, including driving under the influence and postmortem toxicology.

Future Trends and Opportunities

Future developments will address microsampling devices (e.g. dried blood spots), nano-surface molecular orientation limited assays for biotherapeutics, and increasingly flexible automation platforms accommodating diverse sample types. Enhanced software solutions for data QC, automated acceptance criteria checks and intelligent result reporting are essential to handle rising data volumes. HRAM-MS and Q-TOF systems will complement triple quadrupole workflows, offering accurate mass and retrospective screening without sacrificing throughput.

Conclusion

Shimadzu’s collaborative innovations in sample automation, rapid LC-MS/MS acquisition and spectral library development advance forensic and clinical toxicology by improving efficiency, sensitivity and data confidence. Continued partnership with academic and forensic laboratories will drive instrument design tailored to evolving analytical needs and emerging substances.

References

• Saint-Marcoux et al. Development of MRM Spectrum Library for LCMS-8060, Shimadzu Technical Report.
• Saint-Marcoux & Robin. Automated CLAM-2000-LCMS-8060 Extraction of Drugs of Abuse, Submitted for Publication.
• Hime & Kahl. Quantitation of Common Stimulants and Fentanyl Analogues in Postmortem Blood, Journal of Forensic Sciences (2019).
• Wynne et al. Screening of Illicit Veterinary Drugs by UF-GCMS and Non-Targeted Profiling, Proc. 20th Intl. Conf. Rac. Anal. Vet. (2016).
• Wynne et al. Innovations in Forensic Toxicology Automation and Data Analytics, Journal of Analytical & Bioanalytical Techniques (2018).