Chemometrics for ion mobility spectrometry data: recent advances and future prospects

Area of Science:

• Analytical Chemistry
• Spectrometry
• Chemometrics

Background:

• Ion mobility spectrometry (IMS) advances were historically limited by inter-instrument signal variability.
• Chemometric techniques have emerged to analyze complex IMS data.
• Multidimensional coupling of IMS with chromatography and mass spectrometry generates high-dimensional datasets, posing new data processing challenges.

Purpose of the Study:

• To provide a comprehensive overview of chemometric techniques for ion mobility spectrometry data analysis.
• To describe the state-of-the-art in analyzing diverse IMS datasets for targeted and non-targeted analyses.
• To highlight the contribution of chemometrics to the expansion of IMS technology.

Main Methods:

• Overview of chemometric techniques for IMS data preprocessing.
• Review of chemometric methods for pattern recognition in IMS data.
• Discussion of data analysis strategies for complex and high-dimensional IMS datasets.

Main Results:

• Chemometric techniques effectively reveal and analyze information within ion mobility spectra.
• Recent advances in chemometrics address data preprocessing and pattern recognition for complex IMS data.
• Chemometrics significantly contribute to the expansion of IMS applications across various fields.

Conclusions:

• Comprehensive data analysis strategies integrating chemometric techniques are crucial for modern IMS.
• The trend towards sophisticated chemometric approaches will continue to stimulate IMS instrumentation development.
• Chemometrics are essential for overcoming data challenges and unlocking the full potential of ion mobility spectrometry.