Waters Application Notes - Environmental

Significance of Monitoring Environmental Contaminants

Governments and industries require sensitive, reliable analytical tools to detect trace-level pollutants–from firefighting foams, dioxins, and pesticides to pharmaceuticals and PFAS compounds–in water and soil. These emerging and regulated contaminants pose serious risks to ecosystems and human health, and stringent guidelines necessitate robust methods that balance sensitivity, speed, and broad chemical coverage.

Study Objectives and Overview

This collection of applications demonstrates how Waters’ integrated solutions–combining advanced sample preparation, UPLC separation, and MS/MS or HRMS detection–address diverse environmental challenges. Key goals include:

• Screening complex mixtures for known and unknown pollutants
• Quantifying ultra-low levels (ppt to ppq) of regulated and emerging compounds
• Streamlining workflows to reduce sample prep time
• Enabling retrospective data mining and metabolite identification

Methodologies and Sample Preparation

• QuEChERS and SPE strategies simplify multi-volume extractions of sediments, water and fire debris, cutting prep time from days to hours. Modified QuEChERS and Oasis WAX/MCX cartridges capture both polar and non-polar analytes.
• Large-volume direct injection and at-column dilution approaches bypass complex cleanup, enriching samples up to 2000× for trace PFASs without SPE.
• Derivatization (FMOC) enables LC-MS detection of ionic herbicides (glyphosate, AMPA, glufosinate) at ppq levels using minimal solvents and simple LLE.

Instrumentation and Data Acquisition

• Waters ACQUITY UPLC systems with tailored columns (BEH C18, HSS T3, BEH Phenyl, CORTECS) deliver high-resolution, rapid separations.
• UniSpray, APGC, and Xevo TQ-S micro/MS/MS technologies afford exceptional sensitivity and selectivity for PFAS, microcystins, and dioxin-like compounds.
• Non-targeted HRMS (Xevo G2-XS QTof) with MS E acquires accurate-mass precursor and fragment data in a single run, enabling comprehensive screening and metabolite discovery.
• Tof MRM on SYNAPT G2-Si boosts duty cycle for selected fragments, matching or exceeding tandem-quad sensitivity while preserving full-scan data.

Main Results and Discussion

• AFFF foam components were differentiated by multivariate analysis (PCA/S-plots) and identified via UNIFI’s Discovery Toolset.
• Modified QuEChERS with APGC-QTof achieved >15× faster dioxin/furan screening, meeting EPA 1613 criteria without magnetic sectors.
• Xevo TQ-XS and APGC enabled sub-fg detection of PCDD/Fs, expanding confirmatory analysis capabilities.
• Large-volume injection and SPE protocols quantified microcystins at ppt levels in drinking and surface waters, meeting WHO and EU limits.
• APGC-HRMS exposomics revealed emerging polyhalogenated dioxins/furans in fire debris and personal exposures.
• SPE enrichment plus Xevo TQ-S micro measured PFASs at low ng/L in various water types, complying with UCMR3 and WFD guidelines.
• FMOC-LC-MS/MS quantified glyphosate, AMPA, and glufosinate at sub-ppq levels in drinking water.
• UNIFI screening with MS E detected >1000 compounds in well water and identified carbamazepine metabolites via in silico transformations.
• ACQUITY H-Class and Xevo TQD separated and quantitated 78 PPCPs down to ppq levels in diverse water matrices.

Benefits and Practical Applications

• Reduced analysis time and solvent usage
• Automated workflows for routine screening
• Trace-level detection to meet evolving regulations
• Retrospective data mining for emerging threats
• High throughput for environmental forensics

Future Trends and Opportunities

• Integration of UHPLC-HRMS with AI-driven analytics for real-time monitoring.
• Expanded exposomics to link environmental data with human health outcomes.
• Further miniaturization of sample prep (microextraction cartridges).
• Development of universal libraries and cloud-based collaborative platforms.
• Adoption of isotopically labeled standards for comprehensive quantification.

Conclusion

Waters’ end-to-end solutions–from sample prep to advanced MS detection and integrated informatics–address the full spectrum of environmental analysis challenges. By achieving ppt and sub-ppq sensitivity, broad compound coverage, and streamlined workflows, researchers and regulators can more effectively detect, identify, and monitor legacy and emerging contaminants in complex matrices.

References

1. Stockholm Convention on Persistent Organic Pollutants, 2009.
2. EPA UCMR3 Drinking Water Monitoring, 2012.
3. EPA Health Advisory for PFOA & PFOS, 2016.
4. EU Water Framework Directive (2013/39/EU).
5. ISO 25101:2009 PFOS and PFOA Analysis in Water.
6. ASTM D7979-17 PFAS in Water by LC-MS/MS.
7. WHO Guidelines for Drinking-Water Quality, 4th ed., 2011.
8. Mallet et al., Rapid Commun Mass Spectrom., 2016.
9. Lubin et al., J Am Soc Mass Spectrom., 2016.
10. Zeig-Owens et al., Lancet, 2011.
11. Schwindt et al., J Appl Ecol., 2014.
12. Ross et al., Waters Tech Brief, 2017.
13. Hanke et al., J Agric Food Chem., 2011.