Shimadzu journal Vol. 02 - Forensics / Toxicology

Significance of the Topic

In recent years, forensic toxicology and analytical chemistry have grown ever more critical for public safety, clinical diagnosis, and legal investigations. The increasing complexity of cases—from driving-under-the-influence of drugs (DUID) to covert poisoning—demands rapid, sensitive, and robust analytical workflows. Innovations in sample preparation, chromatographic separation, and mass spectrometric detection now enable high-throughput screening and quantitation of a broad range of illicit drugs, pharmaceuticals, and emerging designer substances.

Study Objectives and Overview

This issue of Shimadzu Journal brings together collaborative research and application notes focusing on:

• Clinical and forensic analysis of opiates, amphetamines, and cocaine using QuEChERS and UHPLC-MS/MS
• Customer insight from Professor Pierre Marquet’s toxicology laboratory at Limoges on method development with Shimadzu LC-MS/MS platforms
• Advances in cannabis testing methodologies and regulatory landscape
• Poster presentations highlighting rapid workflows for mycotoxins, anabolic steroids, and synthetic cannabinoids
• Software integration between Skyline and Shimadzu’s triple quadrupole systems for quantitative proteomics
• New Shimadzu instruments and databases for forensic and analytical chemistry

Methodology and Instrumentation

• QuEChERS sample preparation combined with UHPLC-MS/MS (Shimadzu Nexera-8040/8050) for multi-class drugs in whole blood, plasma, and urine • Restek Pinnacle DB PFPP column, dynamic MRM scanning, organic extraction and salting-out
• MALDI-TOF and MALDI-FTICR imaging for single-hair spatial mapping of methamphetamine and hypnotics • Noviplex cards for micro-scale extraction of metabolites
• On-line SPE-LC/MS/MS for amphetamines in urine using UFMS technology
• GC-MS/MS Smart Forensic Database with preconfigured MRM transitions for 201 toxicological analytes
• Integration of Skyline software with Shimadzu triple quadrupole LC/MS/MS for robust SRM/MRM method design and data analysis
• New hardware: EDX-7000/8000 benchtop energy dispersive XRF, comprehensive 2D chromatography (e-Series LC×LC and GC×GC), iMScope TRIO imaging, and ICPE-9800 simultaneous ICP-AES

Main Results and Discussion

• Chromatographic separation of 58 compounds, including ephedrine isomers, in under 6 minutes; LLOQ of 5 µg/L for 40 targeted analytes • No carry-over observed
• MALDI imaging resolved drug distribution at 5 µm spatial resolution, enabling proof of single-dose zolpidem exposure in hair one month post-administration
• Smart MRM and AART algorithms reduced method development time, ensuring high sensitivity and selectivity in GC-MS/MS forensic screening
• Cannabis potency and contaminant testing workflows established by multiple independent labs; HPLC and GC quantitation of THC, CBD, and CBN • Terpene, pesticide, residual solvent, and microbial assays highlighted
• Skyline integration accelerated proteomic quantitation on Shimadzu LC-MS/MS platforms, enabling multiplexed SRM assays and targeted MS/MS
• EDX-7000/8000 recognized for industrial design and user ergonomics; new 2D chromatography and imaging platforms offer enhanced separation and high-resolution molecular mapping

Benefits and Practical Applications of the Methods

• Rapid turnaround for DUID and post-mortem toxicology with simplified QuEChERS-UHPLC workflows
• Single-hair MALDI imaging enhances forensic hair testing, delivering temporal drug-use profiles
• Prebuilt MRM libraries and smart method creation minimize setup time in forensic GC-MS/MS labs
• Comprehensive cannabis testing protocols support regulatory compliance and product quality in emerging markets
• Skyline-Shimadzu integration standardizes quantitative workflows in clinical-proteomics and biomarker research
• New instrumentation lowers operational costs, reduces analysis times, and expands analytical capabilities across industries

Future Trends and Potential Applications

• Expansion of high-throughput qCCP (quantitative Clinical Chemistry Proteomics) methods for biomarker validation
• Broader adoption of 2D chromatography and micro-scale extraction for complex matrices in environmental and food safety analysis
• Advanced imaging mass spectrometry for tissue mapping in pharmacokinetics and toxicology studies
• Continued growth of cannabis research with personalized CBX oil therapies and deeper metabolomics insights
• Greater integration of machine learning for automatic identification and quantitation in forensic toxicology databases
• Wider deployment of eco-mode and automation in ICP and XRF to lower lab footprint and operating expenses

Conclusion

The latest Shimadzu Journal issue showcases synergy between cutting-edge instrumentation, streamlined workflows, and software innovations. From forensic toxicology to cannabis analytics and quantitative proteomics, these developments address critical needs for speed, sensitivity, and data quality. Collaborative efforts between academia and industry—such as the integration of Skyline with Shimadzu LC-MS/MS systems—underline the importance of open platforms, while new 2D chromatography and high-resolution imaging technologies pave the way for deeper molecular insights. Continuous evolution of sample preparation, method automation, and specialized databases will further enhance analytical performance across scientific disciplines.

Reference

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2. Katagi M, et al. TIAFT Bulletin 40 (2010) 30–35
3. Shima N, et al. Forensic Toxicol. 31 (2013) 101–112
4. Miki A, et al. J. Mass Spectrom. 46 (2011) 411–416
5. Minohata T, et al. Shimadzu Review 70[3] (2013)