IP Library › Granted Patent US 12,308,222
Granted Patent B2
US 12,308,222 · App. 17/705,979 · Granted May 20, 2025

Subspace approach to accelerate Fourier transform mass spectrometry imaging

Inventors: Fan Lam (Champaign, IL); Jonathan V. Sweedler (Urbana, IL); Yuxuan Xie (Champaign, IL)
Assignee: THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS
H01J49/0036G06T5/10G06T5/50G06T2207/20056G06T2207/20212
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Quick Facts
Patent No.
US 12,308,222
App. No.
17/705,979
Granted
May 20, 2025
Kind
B2
Abstract

Methods, apparatus, and storage medium for obtaining high-resolution mass spectra and chemical maps from a sample using a subspace Fourier transform mass spectrometry (FT-MS) approach are described. The method includes conducting a first set of image data corresponding to a first group of spatial positions on the sample and a second set of image data corresponding to a second group of spatial positions on the sample; conducting a decomposition process on the first set of image data to obtain a set of basis elements; performing a reconstruction process on a second set of image data to obtain a set of reconstructed image data; performing a Fourier transform on the first and second sets of image data to obtain a first and second sets of mass spectra, respectively; and obtaining a FT-MS image for the sample based on the first set of mass spectra and the second set of mass spectra.

Claims (79)

1. A method for obtaining high-resolution mass spectra and chemical maps from a sample using a subspace Fourier transform (FT) mass spectrometry (FT-MS) approach, the method comprising:

conducting, by a device comprising a memory storing instructions and a processor in communication with the memory, a data collection process that generates nonuniform lengths of FT-MS data across different spatial locations on a sample, the FT-MS data comprising a first set of image data corresponding to a first group of spatial positions on the sample and a second set of image data corresponding to a second group of spatial positions on the sample;

conducting, by the device, a decomposition process on the first set of image data to obtain a set of basis elements for the sample;

performing, by the device, a reconstruction process on a second set of image data based on the set of basis elements to obtain a set of reconstructed image data;

performing, by the device, a first Fourier transform on the first set of image data to obtain a first set of mass spectra, the first set of mass spectra corresponding to the first group of spatial positions on the sample;

performing, by the device, a second Fourier transform on the set of reconstructed image data to obtain a second set of mass spectra, the second set of mass spectra corresponding to the second group of spatial positions on the sample; and

obtaining, by the device, a FT-MS image for the sample based on the first set of mass spectra and the second set of mass spectra.

2. The method according to claim 1 , wherein:

the first set of image data corresponds to data with a first transient duration;

the second set of image data corresponds to data with a second transient duration; and

the second transient duration is shorter than the first transient duration.

3. The method according to claim 1 , wherein:

the first set of image data corresponds to a FT MS image with a first mass resolution;

the second set of image data corresponds to a FT MS image with a second mass resolution; and

the first mass resolution is finer than the second mass resolution.

4. The method according to claim 1 , wherein:

the first group of spatial positions comprises a first number of spatial positions;

the second group of spatial positions comprises a second number of spatial positions; and

the first number is smaller than the second number.

5. The method according to claim 1 , wherein:

the first group of spatial positions is randomly selected on the sample.

6. The method according to claim 1 , wherein:

the decomposition process comprises a singlular value decomposition or other types of matrix decomposition methods.

7. The method according to claim 1 , wherein:

the reconstruction process corresponding to the second set of mass spectra is performed in one of a location-by-location fashion or jointly for all the second group of spatial positions simultaneously.

8. The method according to claim 1 , wherein:

the FT MS image comprises at least one of the following:

a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry image; or

a Fourier transform Orbitrap mass spectrometry image.

9. An apparatus for obtaining high-resolution mass spectra and chemical maps from a sample using a subspace Fourier transform (FT) mass spectrometry (FT-MS) approach, the apparatus comprising:

a memory storing instructions; and

a processor in communication with the memory, wherein, when the processor executes the instructions, the processor is configured to cause the apparatus to perform:

conducting a data collection process that generates nonuniform lengths of FT-MS data across different spatial locations on a sample, the FT-MS data comprising a first set of image data corresponding to a first group of spatial positions on the sample and a second set of image data corresponding to a second group of spatial positions on the sample,

conducting a decomposition process on the first set of image data to obtain a set of basis elements for the sample,

performing a reconstruction process on a second set of image data based on the set of basis elements to obtain a set of reconstructed image data,

performing a first Fourier transform on the first set of image data to obtain a first set of mass spectra, the first set of mass spectra corresponding to the first group of spatial positions on the sample,

performing a second Fourier transform on the set of reconstructed image data to obtain a second set of mass spectra, the second set of mass spectra corresponding to the second group of spatial positions on the sample, and

obtaining a FT-MS image for the sample based on the first set of mass spectra and the second set of mass spectra.

10. The apparatus according to claim 9 , wherein:

the first set of image data corresponds to data with a first transient duration;

the second set of image data corresponds to data with a second transient duration; and

the second transient duration is shorter than the first transient duration.

11. The apparatus according to claim 9 , wherein:

the first set of image data corresponds to a FT MS image with a first mass resolution;

the second set of image data corresponds to a FT MS image with a second mass resolution; and

the first mass resolution is finer than the second mass resolution.

12. The apparatus according to claim 9 , wherein:

the first group of spatial positions comprises a first number of spatial positions;

the second group of spatial positions comprises a second number of spatial positions; and

the first number is smaller than the second number.

13. The apparatus according to claim 9 , wherein:

the first group of spatial positions is randomly selected on the sample.

14. The apparatus according to claim 9 , wherein:

the decomposition process comprises a singlular value decomposition or other types of matrix decomposition methods.

15. The apparatus according to claim 9 , wherein:

the reconstruction process corresponding to the second set of mass spectra is performed in one of a location-by-location fashion or jointly for all the second group of spatial positions simultaneously.

16. The apparatus according to claim 9 , wherein:

the FT MS image comprises at least one of the following:

a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry image; or

a Fourier transform Orbitrap mass spectrometry image.

17. A non-transitory computer readable storage medium storing computer readable instructions, wherein, the computer readable instructions, when executed by a processor, are configured to cause the processor to perform:

conducting a data collection process that generates nonuniform lengths of FT-MS data across different spatial locations on a sample, the FT-MS data comprising a first set of image data corresponding to a first group of spatial positions on the sample and a second set of image data corresponding to a second group of spatial positions on the sample;

conducting a decomposition process on the first set of image data to obtain a set of basis elements for the sample;

performing a reconstruction process on a second set of image data based on the set of basis elements to obtain a set of reconstructed image data;

performing a first Fourier transform on the first set of image data to obtain a first set of mass spectra, the first set of mass spectra corresponding to the first group of spatial positions on the sample;

performing a second Fourier transform on the set of reconstructed image data to obtain a second set of mass spectra, the second set of mass spectra corresponding to the second group of spatial positions on the sample; and

obtaining a FT-MS image for the sample based on the first set of mass spectra and the second set of mass spectra.

18. The non-transitory computer readable storage medium according to claim 17 , wherein:

the first set of image data corresponds to data with a first transient duration;

the second set of image data corresponds to data with a second transient duration; and

the second transient duration is shorter than the first transient duration.

19. The non-transitory computer readable storage medium according to claim 17 , wherein:

the first set of image data corresponds to a FT MS image with a first mass resolution;

the second set of image data corresponds to a FT MS image with a second mass resolution; and

the first mass resolution is finer than the second mass resolution.

20. The non-transitory computer readable storage medium according to claim 17 , wherein:

the first group of spatial positions comprises a first number of spatial positions;

the second group of spatial positions comprises a second number of spatial positions; and

the first number is smaller than the second number.

Assignments (1)
ASSIGNMENT OF ASSIGNOR'S INTEREST Recorded Apr 12, 2022
From: LAM, FAN; SWEEDLER, JONATHAN V.; XIE, YUXUAN
To: THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS
Reel/Frame 059572/0384 →
Continuity (2)
Provisional Application 63167370 · Mar 29, 2021
Related Publication 20220310374A1 · Sep 29, 2022
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