Ion Mobility Fragment Patterning for Polymer Isomer Characterization
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Solution Overview
Problem
Current methods for characterizing polymeric molecules using mass and/or ion mobility spectrometry struggle to effectively determine sequence and connectivity information, particularly for molecules with identical subunits but different connectivity, tacticity, and branching.
Innovation Solution
A method involving the separation of analyte ions based on a physico-chemical property, followed by activation, fragmentation, or reaction to produce product ions, which are then re-separated and analyzed to determine characteristic patterns for identifying and characterizing the original ions, utilizing techniques like ion mobility or rate of change of ion mobility with electric field strength.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If standard ion mobility-mass spectrometry approaches are used to characterise polymeric molecules, then mass and mobility information can be obtained, but sequence and connectivity information particularly for molecules with identical subunits but different connectivity, tacticity and branching cannot be effectively determined
Solution Approach 1:
The method segments the analysis into multiple stages: first separating parent ions by ion mobility, then selectively fragmenting specific ions, and finally separating and analyzing the resulting fragment ions. This multi-stage segmentation allows differentiation of isomeric species that have identical mass but different structures, as each fragmentation stage produces characteristic fragment patterns that reveal connectivity and tacticity information.
Solution Approach 2:
The invention adds an additional dimension to the analysis by performing ion mobility separation on both parent ions and fragment ions. This creates a two-dimensional ion mobility map where isomeric species can be distinguished not only by their parent ion mobility but also by the mobility patterns of their fragments, providing enhanced structural information for characterizing polymeric molecules with identical subunits but different connectivity.
2Loss of information
If pre- or post-ion mobility fragmentation is used, then mass information can be obtained, but molecules consisting of identical subunits with different connectivity, tacticity and branching cannot be adequately characterised
Solution Approach 1:
The method employs feedback by using the ion mobility separation results to guide selective fragmentation of specific parent ions, then using the fragment ion mobility patterns to further characterize the structure. This iterative feedback loop between separation and fragmentation stages allows the system to accumulate structural information progressively, revealing connectivity and tacticity details that would be lost in single-stage analysis.
Solution Approach 2:
The invention performs preliminary ion mobility separation of parent ions before fragmentation occurs. This preliminary action ensures that only ions with specific mobility characteristics (corresponding to particular structural isomers) are selected for fragmentation, thereby preserving and enhancing connectivity and tacticity information in the subsequent fragment analysis rather than losing it.
3Device complexity
If single-stage ion mobility-mass spectrometry is used, then analysis is simple, but differentiation of isomeric species with different connectivity and branching is not achieved
Solution Approach 1:
The analysis is segmented into distinct stages: parent ion mobility separation, selective fragmentation, and fragment ion mobility separation. While this increases analytical capability, each stage uses the same fundamental ion mobility separation technology, so the device architecture remains relatively simple while achieving superior isomer differentiation through the segmented analytical approach.
Solution Approach 2:
The ion mobility separator performs multiple functions: it separates parent ions in the first stage, and then separates fragment ions in the second stage. This universal application of the same separation technology for both parent and fragment ions maintains device simplicity while enabling reliable isomer differentiation through the multi-stage analytical process.
Applied Scientific Principles
This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.
Function Achieved in This Case
This approach provides improved characterization of polymeric molecules by generating unique fragmentation patterns that reveal structural information, enabling better differentiation and identification of isomeric species.
Implementation Method 1
separating analyte ions according to a first physico-chemical property... The first physico-chemical property may comprise ion mobility or rate of change of ion mobility with electric field strength
Implementation Method 2
selecting first ions of the analyte ions and activating, fragmenting or reacting the first ions to produce first product ions
Data Source
AI summary
A method of identifying and/or characterising ions comprises separating analyte ions according to a first physico-chemical property (ion-mobility), selecting first ions of the analyte ions, and activating, fragmenting or reacting the first ions to produce first product ions, separating the first product ions according to the first physico-chemical property, and determining a pattern of the first product ions. The first ions are identified and/or characterised using the pattern of the first product ions.