ACQUITY UPLC PDA Analysis of Biocides (Part 2) Pass or Fail Custom Calculation

Significance of the Topic

Effective control and monitoring of biocide levels is essential for product safety and regulatory compliance in cosmetics, personal care and food industries. High-throughput, accurate methods streamline decision-making, reduce errors and prevent costly recalls.

Objectives and Study Overview

The study aimed to demonstrate how Empower 3 Software custom calculations can automate the classification of biocide content as Pass or Fail. By establishing user-defined QC thresholds for Kathon concentration, the method simplifies result interpretation and eliminates manual calculations.

• Define a custom field to evaluate biocide levels against set criteria
• Implement software-based Pass/Fail decision-making
• Reduce human error in QC processes

Methodology and Instrumentation

The analysis employed the Waters ACQUITY UPLC System with PDA detection and Empower 3 Chromatography Software.

• Sample preparation followed established protocols for biocide analysis
• UPLC separation achieved seven well-resolved peaks in three minutes
• Empower 3 custom calculation created using the Configuration Manager:
    - Custom field type: Peak enum
    - Formula combining LT, LTE, GT operations to define Pass (4.85–5.15 ppm) and Fail conditions
    - Named group “Kathon” summing peaks for compounds 1a and 1b
  

Key Results and Discussion

Chromatograms of three samples exhibited consistent peak resolution for Kathon components and other biocides. The custom field accurately classified samples:

• PJL07_85G: 5.03 ppm – Pass
• PJL07_85H_Low: 2.57 ppm – Fail
• PJL07_85F_High: 7.43 ppm – Fail

Automating QC evaluation minimized analysis time and reduced potential for calculation errors, enabling rapid reporting of critical data to stakeholders.

Practical Benefits and Applications

This workflow enhances laboratory productivity by integrating high-speed UPLC separations with automated QC decision-making. It is particularly valuable for routine quality control in cosmetics, personal care and food manufacturing environments, where reliable Pass/Fail reporting accelerates product release.

Future Trends and Applications

Adapting custom field calculations for additional analytes and integrating with laboratory information management systems (LIMS) can further automate QC workflows. Advances in real-time data processing and cloud-based reporting will drive faster, more connected analytical operations.

Conclusion

The combination of UPLC, PDA detection and Empower 3 custom calculations provides a robust, high-throughput solution for biocide QC. Automated Pass/Fail reporting ensures accurate, efficient decision-making and reduces the risk of product compliance failures.

Reference

1. P.J. Lee, A.J. Di Gioia. ACQUITY UPLC/PDA Analysis of Biocides (Part 1), Waters application note no. 720001832, 2006.