Normalized Peak Profile Analyte Identification
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Solution Overview
Problem
Current chromatography methods face challenges in reliably identifying analytes due to retention time shifts and overlapping peaks, leading to misassignment and misidentification, especially when using ion chromatography, as they require expensive mass spectrometers and are sensitive to matrix effects.
Innovation Solution
The method involves normalizing peak profiles of analytes to create a unique signature for identification by correlating the shape of unknown peaks with known peaks using a peak-printing system, which compares the normalized peak profiles to determine analyte identity without the need for mass spectrometry, using a chromatographic column and detector with a data processor to adjust and compare data points.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Productivity
If retention time comparison is used for analyte identification, then the identification process is simple and fast, but the reliability of identification deteriorates due to retention time shifts
Solution Approach 1:
The patent transforms the identification approach from using a single parameter (retention time) to using multiple parameters that characterize the entire peak profile shape. By normalizing peaks and comparing their shapes across multiple data points, the method achieves more reliable identification while maintaining computational efficiency.
Solution Approach 2:
The patent transitions from one-dimensional retention time comparison to multi-dimensional peak profile comparison. By analyzing the entire chromatographic peak across multiple data points and dimensions, the method provides more robust identification that is not affected by retention time shifts.
2Measurement precision
If mass spectrometer is used for analyte identification, then the identification accuracy is improved, but the equipment cost and operational complexity increase
Solution Approach 1:
The patent creates a digital fingerprint or profile of each analyte's chromatographic peak shape and stores it as reference data. Instead of using expensive mass spectrometers, the method compares the shape characteristics of unknown peaks against these stored profiles, achieving accurate identification through pattern recognition rather than complex instrumentation.
Solution Approach 2:
The patent replaces the mechanical/physical complexity of mass spectrometry with a computational approach. By using data processing algorithms to compare peak profiles, the method substitutes expensive hardware with software-based analysis, achieving similar identification accuracy without the associated equipment complexity.
3Reliability
If additional analyte detectors are used for reliable identification, then the identification reliability is improved, but the system cost and complexity increase
Solution Approach 1:
The patent makes the existing chromatographic detector perform multiple functions: not only quantifying analyte amounts but also providing identification information through peak shape analysis. By extracting multiple data points from a single detector's output and analyzing the entire peak profile, the method achieves reliable identification without adding specialized detectors.
Solution Approach 2:
The patent enables the chromatographic system to identify analytes using its own existing data from the primary detector. By analyzing the shape characteristics of peaks already detected, the system performs self-identification without requiring additional external detectors or instrumentation.
4Ease of operation
If retention time is used for analyte assignment, then the assignment process is straightforward, but misassignment occurs due to matrix effects and concentration variations
Solution Approach 1:
The patent changes the basis of assignment from a single retention time parameter to multiple parameters describing the peak profile shape. By normalizing peaks and comparing their shapes across multiple data points, the method maintains operational simplicity while dramatically improving assignment accuracy and reducing misassignment.
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 identification of analytes with high accuracy, reducing misidentification and the need for expensive equipment, by using normalized peak profiles to confirm analyte identity through correlation, applicable to ion chromatography and potentially other forms of chromatography.
Implementation Method 1
Chromatography is a technique used for separating and identifying the constituents in a mixture. In chromatography, analytes travel through a column while interacting with a stationary phase under the influence of the mobile phase. Separation is achieved due to the differing affinities of the analytes and a mobile phase with the stationary phase.
Data Source
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AI summary
A method of determining an identity of a first analyte in a sample is described that includes passing the first analyte through a chromatographic column and detecting a signal curve of the first analyte by a chromatographic detector, wherein the signal curve includes a peak profile of the first analyte. The peak profile is defined by a plurality of measured data points configured to plot onto a signal coordinate system. The method further includes normalizing the peak profile of the first analyte to form a normalized peak profile, wherein the normalized peak profile includes scaling the plurality of measured data points, and wherein the normalized peak profile is defined by a plurality of normalized data points configured to plot onto a normalized coordinate system, and comparing the normalized peak profile of the first analyte with a normalized peak profile of a second analyte.