Towards Single System for Total Water Analysis. Screening of 325 PPCP in Tap and Surface Water

Importance of the Topic

The continuous release of pharmaceuticals and personal care products (PPCPs) into municipal water systems poses a growing environmental and public health concern. These trace contaminants can persist through conventional treatment processes and accumulate in tap and surface waters, necessitating highly sensitive and comprehensive analytical methods for routine monitoring.

Objectives and Overview of the Study

This work aimed to design and validate a single automated LC-MS/MS platform capable of switching among multiple methods to screen 325 PPCPs in both tap and surface water. By integrating four complementary approaches—direct injection under acidic or basic conditions and online SPE (solid-phase extraction) in acidic or basic media—the system seeks to maximize analyte coverage, sensitivity, and throughput for regulatory and research laboratories.

Methodology and Instrumentation

This multi-method workflow employed:

• Nexera X2 UHPLC coupled to a Shimadzu LCMS-8060 triple quadrupole MS.
• Four chromatographic conditions: acidic DI, basic DI, acidic SPE, basic SPE.
• Columns: Shim-pack Velox Biphenyl (2.7 µm, 100 mm) for acidic mobile phases; Shim-pack Scepter HD-C18-80 (3 µm, 100 mm) for basic phases.
• Mobile phases: water/methanol with acetic acid and ammonium fluoride (acidic); water/acetonitrile with ammonium hydroxide (basic).
• Online SPE cartridge: Evolute Express ABN (20 µm, 30 × 2.1 mm).
• Automated valve switching for fluidic lines, columns, and injection modes.

Main Results and Discussion

Calibration regressions (0.1–100 ppt, five replicates) demonstrated robust accuracy (80–120%) and precision (RSD < 20%). In tap water, total coverage was 92%, with 86% of compounds achieving LLOQs ≤ 30 ppt; in surface water, coverage reached 86%, with 80% at or below 30 ppt. Direct injection in acidic conditions provided the best LLOQ for the majority (68% in tap water, 55% in surface water), while acidic SPE, basic DI, and basic SPE contributed optimal sensitivity for 16%, 16%, and 13% of targets, respectively. These results highlight the value of a multi-method strategy, particularly for complex matrices.

Benefits and Practical Applications

This single-system, multi-method platform offers laboratories a flexible solution to balance exhaustivity and efficiency. Its automated switching reduces manual intervention, lowers analysis costs by minimizing internal standards, and ensures compliance with drinking water and environmental directives in various regions.

Future Trends and Possibilities

Advancements may include expansion to high-resolution mass spectrometry for non-target screening, integration with online data analysis pipelines for real-time decision making, and incorporation of additional sample preparation steps (e.g., novel sorbents) to enhance selectivity. Coupling this platform with remote monitoring could further support water quality management and early warning systems.

Conclusion

The presented LC-MS/MS automated multi-method system enables comprehensive low-ppt level screening of hundreds of PPCPs in tap and surface waters. Its robustness, sensitivity, and adaptability make it a powerful tool for routine environmental surveillance and regulatory compliance.

Reference

• JAFFUEL A., WATANABE J. Towards Single System for Total Water Analysis. Screening of 325 PPCP in Tap and Surface Water. Shimadzu Corporation, Kyoto, Japan.