Ion Signal Harmonic Correction for Accurate Charge Analysis

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Solution Overview

Problem

Current ion trap mass spectrometry methods face challenges in accurately determining the charge of ions, especially for highly charged biological ions, due to noise interference and spectral overlap, leading to measurement errors and reduced signal-to-noise ratios.

Innovation Solution

The method involves processing image-charge/current signals by selecting specific frequency-domain harmonic components, correcting for spectral interferences, and using a system of equations to isolate the target ion's charge, thereby improving the accuracy of charge measurement and reducing noise influence.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Measurement precision

If Fourier transformation is used to analyze image-charge/current signals from multiple ions, then mass spectrum data can be obtained, but spectral overlap between different ions causes measurement errors in charge determination

Engineering Contradiction:
Improvecharge determination accuracyVSAvoidspectral overlap interference
Core Design Contradiction:
Measurement precisionVSLoss of information

Solution Approach 1:

The patent segments the image-charge/current signal into multiple time segments and applies Fourier transformation to each segment separately. This time-domain segmentation allows resolution of spectral overlaps by analyzing ions at different time intervals, thereby improving charge determination accuracy while maintaining mass spectrum information.

Inventive Principle:
Principle #1Segmentation

Solution Approach 2:

The patent introduces a time dimension by analyzing signals in both time and frequency domains. By segmenting the time domain and applying Fourier transformation, the method creates a three-dimensional analysis space (time segments × frequency components × ion identities), enabling separation of overlapping spectral information that cannot be resolved in traditional two-dimensional frequency domain analysis.

Inventive Principle:
Principle #17Another dimension (Dimensionality change)

2Productivity

If multiple ions are trapped simultaneously for analysis, then throughput is improved, but noise interference and spectral overlap increase

Engineering Contradiction:
Improveion analysis throughputVSAvoidnoise interference
Core Design Contradiction:
ProductivityVSObject-affected harmful factors

Solution Approach 1:

The patent divides the continuous signal from multiple simultaneously trapped ions into discrete time segments. Each segment is processed independently through Fourier transformation, allowing the system to maintain high throughput by analyzing multiple ions concurrently while reducing noise interference through temporal separation and selective frequency analysis of each segment.

Inventive Principle:
Principle #1Segmentation

3Measurement precision

If traditional Fourier transformation is applied to the entire signal, then complete mass spectrum is obtained, but signal-to-noise ratio decreases due to interference from all ions

Engineering Contradiction:
Improvesignal-to-noise ratioVSAvoidtotal ion signal
Core Design Contradiction:
Measurement precisionVSQuantity of substance

Solution Approach 1:

The patent segments the total ion signal into multiple time-based portions and applies Fourier transformation to each segment individually. This approach maintains the complete mass spectrum information across all segments while improving signal-to-noise ratio by analyzing smaller time windows where fewer ions are present, thereby reducing cumulative interference.

Inventive Principle:
Principle #1Segmentation

Solution Approach 2:

Instead of transforming the entire signal at once, the patent applies partial Fourier transformations to specific time segments. This partial action on subsets of the total signal allows selective enhancement of signal-to-noise ratio for specific ion populations while preserving the ability to reconstruct the complete mass spectrum from all segments.

Inventive Principle:
Principle #16Partial or excessive action

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 enhances the accuracy of ion charge determination by isolating the target ion's spectral energy and reducing interference from other ions, resulting in improved signal-to-noise ratios and more precise charge measurements.

Implementation Method 1

one or more ions undergoing oscillatory motion within an ion analyser apparatus (e.g. an ion trap) may induce an image-charge/current signal detectable by sensor electrodes of the apparatus

Methodology Applied
Scientific EffectImage charge effect: Electrostatic Induction

Implementation Method 2

If ions are trapped using an electrostatic field, the ion trap mass spectrometer is commonly referred to as an 'electrostatic' ion trap mass spectrometer

Methodology Applied
Scientific EffectElectrostatic field: Electric Field

Implementation Method 3

the frequency of oscillation of trapped ions in an ion trap mass spectrometer is dependent on the mass-to-charge (m/z) ratio of the ions

Methodology Applied
Scientific EffectOscillatory motion: Harmonic Oscillator

Data Source

PatentUS20240290597A1Improvements in and relating to ion analysis
Publication Date: 2024.08.29 SHIMADZU CORP
  • US20240290597A1 patent drawing
  • US20240290597A1 patent drawing
  • US20240290597A1 patent drawing

AI summary

A method of processing an image-charge/current signal representative of one or more ions undergoing oscillatory motion within an ion analyser apparatus, the method comprising obtaining a recording of the image-charge/current signal generated by the ion analyser apparatus in the time domain. By a signal processing unit, the method includes selecting N (where N is an integer>1) separate values (OPn, where n=1 to N; N≥M) of the frequency-domain spectrum of the image-charge/current signal each from amongst a plurality of spectral peaks which include a harmonic peak associated with a target ion. By solving a system of equations:OPn=∑m=1Nαn⁢m×TPm,for⁢ n=1⁢ to⁢ N;N≥Mwhere αnm are coefficients and TPm are corrected values of the spectrum, the charge of the target ion is determined based on a magnitude of a corrected value(s) (TPm) associated with that ion.