Chromatograph Data Processing for Broad Concentration Range

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Solution Overview

Problem

Chromatographic data processing systems face challenges in accurately determining the concentration or ratio of components with significantly different concentrations, as settings for one component can lead to signal distortion or saturation of another, and existing methods require multiple analyses or adjustments to handle varying concentrations.

Innovation Solution

A data processing system for chromatographs that sets two wavelengths within a peak spectrum, calculates intensity ratios, and uses automatic correction values to determine quantitative values of target components, allowing for single analysis and detection over a broad range of absorbance with a single detector.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Measurement precision

If the sensitivity of the detector is increased to correctly detect low-concentration components, then the detection limit is improved, but the signal of high-concentration components becomes distorted or saturated

Engineering Contradiction:
Improvedetection limitVSAvoidsignal accuracy
Core Design Contradiction:
Measurement precisionVSManufacturing precision

Solution Approach 1:

The spectrum of each peak is divided into multiple wavelength regions (first wavelength region and second wavelength region). By segmenting the spectral information, the system can process different wavelength ranges independently to determine component concentrations, allowing accurate measurement across a broader concentration range without saturation

Inventive Principle:
Principle #1Segmentation

Solution Approach 2:

The invention transitions from single-wavelength detection to multi-wavelength spectral analysis. By utilizing the spectral dimension (multiple wavelengths) rather than relying solely on intensity at a single wavelength, the system can determine concentrations of components with vastly different concentrations simultaneously, expanding the effective dynamic range

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

2Reliability

If the sample is diluted to bring component concentrations within the dynamic range, then signal linearity is improved, but analysis time increases due to multiple analyses required

Engineering Contradiction:
Improvesignal linearityVSAvoidanalysis time
Core Design Contradiction:
ReliabilityVSProductivity

Solution Approach 1:

The spectral data is segmented into multiple wavelength regions that can be processed simultaneously. This allows the system to handle components across different concentration ranges in a single analysis by utilizing different wavelength regions for different components, eliminating the need for multiple diluted samples

Inventive Principle:
Principle #1Segmentation

Solution Approach 2:

The detector and data processing system are designed to handle multiple concentration ranges simultaneously through multi-wavelength analysis. The system universally processes all components in the sample in a single run by utilizing spectral information at multiple wavelengths, making the analysis method applicable to both low and high concentration components without requiring separate measurements

Inventive Principle:
Principle #6Universality (Multi-functionality)

3Adaptability or versatility

If two detectors with different optical path lengths are used to handle varying concentrations, then measurement range is expanded, but device complexity increases

Engineering Contradiction:
Improvemeasurement rangeVSAvoiddetector configuration
Core Design Contradiction:
Adaptability or versatilityVSDevice complexity

Solution Approach 1:

A single detector is designed to perform multiple functions by capturing spectral information at multiple wavelengths simultaneously. This universal detector replaces the need for multiple detectors with different optical path lengths, achieving the same versatility in handling varying concentrations while simplifying the device configuration

Inventive Principle:
Principle #6Universality (Multi-functionality)

Solution Approach 2:

Instead of using multiple physical detectors, the system creates virtual copies of detection capabilities through computational methods. By processing spectral data at multiple wavelengths from a single detector, the system simulates the effect of having multiple detectors with different characteristics, achieving expanded measurement range without additional hardware

Inventive Principle:
Principle #26Copying

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

Enables accurate determination of component concentrations over a broad range with a single analysis and single detector, reducing analysis time and complexity while maintaining high accuracy.

Implementation Method 1

a spectrum of each separated component is detected by a photo diode array detector (PDA)

Methodology Applied
Scientific EffectAbsorbance spectroscopy: Absorption Spectroscopy

Data Source

PatentUS9739756B2Data processing system and method for chromatograph
Publication Date: 2017.08.22 SHIMADZU CORP
  • US9739756B2 patent drawing
  • US9739756B2 patent drawing
  • US9739756B2 patent drawing

AI summary

Based on three-dimensional data of time, wavelength and intensity acquired with a three-dimensional chromatograph, whether or not the peak-top intensity of the peak of a target component exceeds a predetermined upper limit is determined. If the intensity exceeds the limit, two wavelengths λ1 and λ2 are set in a spectrum passing through the peak top, where λ1 is the peak-top wavelength while λ2 is a wavelength which belongs to the peak and at which the intensity is within a predetermined range. For each point in time belonging to the target peak, the ratio between the intensity at λ1 and the intensity at λ2 in the spectrum at that point in time is calculated, and one of the calculated intensity ratios is selected as a correction value. Based on this correction value and a quantitative value calculated from a chromatogram at λ2, the quantitative value of the target component is determined.