Spectral Mixture Analysis Without Chromatography
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Solution Overview
Problem
Conventional liquid chromatography methods are time-consuming, making it difficult to quickly analyze mixture concentration information, which is essential for timely project control in various applications.
Innovation Solution
A quick quantitative analysis method based on spectral information that directly uses diode array detector (DAD) data, eliminating the need for a chromatography column, and employs vector error algorithms and pseudo-inverse matrices to calculate concentration information of components in a solution.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If conventional liquid chromatography is used for mixture analysis, then separation and quantitative analysis can be performed, but the analysis time becomes excessively long
Solution Approach 1:
The patent extracts and removes the chromatography column from the traditional HPLC system, eliminating the time-consuming separation step while retaining the DAD detector and computational analysis algorithms. This extraction allows direct spectral analysis of mixture components without physical separation, dramatically reducing analysis time while maintaining quantitative accuracy through advanced data processing
Solution Approach 2:
The patent replaces the mechanical chromatography separation system with an optical-spectral analysis system. Instead of using physical columns and mobile phases to separate components, the system uses DAD spectral detection combined with vector error algorithms and pseudo-inverse matrices to identify and quantify components directly from the mixture spectrum, substituting mechanical separation with computational spectral analysis
2Speed
If chromatography column is removed to reduce analysis time, then speed improves, but the system requires more complex analysis algorithms
Solution Approach 1:
The patent introduces spectral libraries and pre-computed spectral characteristics as intermediaries between the simple DAD detection and the quantitative analysis. By pre-storing reference spectral data and using vector error algorithms to compare unknown spectra against these references, the system transforms the complex analysis problem into a systematic comparison process that can be automated while maintaining accuracy
Solution Approach 2:
The patent performs preliminary computational preparations by creating spectral libraries and pre-calculating spectral characteristics of known components before actual analysis. This preliminary action allows the rapid quantitative analysis to proceed by simply comparing new spectra against the pre-computed references using vector error algorithms and pseudo-inverse matrices, reducing the computational burden during actual sample analysis
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 method enables rapid, accurate, and reliable quantitative analysis of mixture components, reducing analysis time and costs while maintaining high precision.
Implementation Method 1
A DAD is installed at the end of the chromatography column to detect and record the substances flowing out of the chromatography column
Data Source
AI summary
The present invention relates to a quick quantitative analysis method and analyzer for mixture concentration information. A quick quantitative analysis method for a mixture based on spectral information includes: collecting a sample of a mixture solution, and injecting into a DAD to obtain DAD data; then, calculating a spectral library by a quick qualitative analysis method based on a vector error algorithm to obtain a spectral error vector; determining a spectral curve of a component included in the data corresponding to the sample, according to a value of the error vector; and calculating a content flag value of each component in the sample and concentration information of each substance.