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Published on: January 20, 2022
A Polysorbate Structural Atlas Curated from Drift Tube Ion Mobility-Mass Spectrometry Measurements.
Kyle E Lira1, Alexander D Goodness1, Jody C May1
1Department of Chemistry, Center for Innovative Technology, Vanderbilt Institute of Chemical Biology, Vanderbilt Institute for Integrative Biosystems Research and Education, Vanderbilt-Ingram Cancer Center, Vanderbilt University, Nashville, Tennessee 37235, United States.
This study introduces a new method using drift tube ion mobility-mass spectrometry to characterize polysorbates (PSs), crucial pharmaceutical excipients. The research provides a detailed structural atlas and predictive correlations for improved analysis of these complex mixtures.
Area of Science:
- Analytical Chemistry
- Biopharmaceutical Analysis
- Mass Spectrometry
Background:
- Polysorbates (PSs) are vital synthetic surfactants in pharmaceuticals, preventing drug aggregation.
- PS degradation and complex composition hinder accurate chemical characterization.
- Existing methods struggle with the heterogeneity and numerous isomers/isobars in commercial PSs.
Purpose of the Study:
- To develop a comprehensive chemical characterization method for polysorbate 20 (PS-20) and polysorbate 80 (PS-80).
- To create a collision cross section (CCS) structural atlas for common PS species.
- To establish predictive correlations between PS structure, mass, and mobility for enhanced analysis.
Main Methods:
- Utilized structurally selective drift tube ion mobility-mass spectrometry (DTIMS-MS).
- Analyzed US Pharmacopeia standards of PS-20 and PS-80.
- Compiled a curated CCS database and defined mobility-mass correlations.
Main Results:
- Identified 536 distinct molecules (350 in PS-20, 186 in PS-80) with high analytical reproducibility (<0.4% RSD).
- Characterized primary species as singly charged monoesters and nonesterified molecules.
- Developed 41 empirical mobility-mass correlations for predicting PS oligomer species location.
Conclusions:
- DTIMS-MS provides a powerful tool for detailed characterization of complex polysorbate mixtures.
- The generated CCS atlas and predictive correlations significantly improve the analysis of PS-20 and PS-80.
- This work offers a foundation for better quality control and understanding of polysorbate stability in biotherapeutics.
