Gábor Transform-Based Signal Isolation, Rapid Deconvolution, and Quantitation of Intact Protein Ions with Mass...

Area of Science:

• Analytical Chemistry
• Biotechnology
• Mass Spectrometry

Background:

• High-resolution mass spectrometry (HRMS) is crucial for analyzing complex biological samples.
• Current HRMS applications in medicine and pharmaceuticals demand advanced data processing.
• Existing methods face limitations in handling complex or congested mass spectra.

Purpose of the Study:

• To introduce novel developments in the interactive Fourier-transform analysis for mass spectrometry (iFAMS) software.
• To present the first application of Gábor transform (GT) for protein quantitation in HRMS.
• To enhance the objectivity, reproducibility, and accuracy of mass spectral data deconvolution.

Main Methods:

• Implementation of automated signal detection, selection, and baseline correction in iFAMS.
• Application of Gábor transform (GT) for protein quantitation and deconvolution refinement.
• Development of specialized tools: Gábor Slicer and charge adjuster for spectral analysis.
• Comparative analysis of iFAMS deconvolution against UniDec and MaxEnt algorithms.
• Demonstration of batch processing and quantitation capabilities in iFAMS.

Main Results:

• iFAMS demonstrates improved objectivity and reproducibility in signal deconvolution through automation.
• The Gábor transform enables accurate ion mass estimation and protein quantitation.
• New tools facilitate deconvolution of complex spectra and accurate charge state assignment.
• iFAMS performance in deconvolution and quantitation is validated through comparisons with established algorithms.
• Batch processing in iFAMS shows comparable results to extracted ion chromatogram approaches.

Conclusions:

• The enhanced iFAMS software, incorporating Gábor transform, significantly advances HRMS data processing.
• iFAMS provides a more objective, reproducible, and accurate method for protein quantitation and spectral deconvolution.
• These advancements support the expanding analytical demands in clinical monitoring and pharmaceutical research.