Particle TrajectorySimulation Facilitates the Developmentof an Efficient Sample Introduction System for Single-Particle ICP-MSAnalysis

Inductively coupled plasma mass spectrometry (ICP-MS) has demonstrated significant capabilities in the analysis of single events, such as single cells and particles. Researchers have been actively pursuing innovations in ICP-MS sample introduction systems to enhance their transport efficiency, as this is critical for ensuring the accuracy of single-event analysis. However, the majority of prior studies have relied heavily on empirical approaches, with limited attention given to the individual characteristics of particles from a theoretical perspective and a lack of efficient manufacturing tools for optimizing related components. Herein, we developed a high-efficiency sample introduction system for single-event ICP-MS analysis by integrating the computational simulation-aided design, precise 3D printing manufacturing, and rapid experimental testing process. For the first time, we simulated the transport trajectories of individual particles passing through the spray chamber, providing theoretical guidance for the design and optimization process. The statistical analysis of particle trajectories revealed that under the absorption boundary condition, particles between 20 and 100 nm achieved transport efficiencies exceeding 18.8%. In comparison, particles larger than 100 nm exhibited 0% transport efficiency due to increased deposition within the spray chamber. The spray chamber was fabricated in-house using a range of 3D printing technologies and materials, streamlining the process and reducing the cost for both manufacturing and validation. Further optimization of the operating parameters, including an increase in temperature, resulted in a notable transport efficiency of 61.1%. The workflow introduced in this study has the potential to transform the research and development of critical mass spectrometry components moving forward.