Multicomponent Quantitative Analysis Using Group-Based Surrogates
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Solution Overview
Problem
Current methods for simultaneous multicomponent analysis in chromatography, such as GC/MS or LC/MS, face challenges in accurately determining the concentrations of hundreds of compounds without requiring separate internal standards or surrogates for each analyte, especially due to variations in sample pretreatment and analysis conditions.
Innovation Solution
Divide analytes into groups based on elution position or partition ratio, using a single surrogate for each group as an internal standard to create calibration curves, and add surrogates to unknown samples for quantitative determination, allowing for accurate correction of signal variations and loss during sample pretreatment.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If the external standard method is used for quantitative determination, then highly accurate quantitative determination can be achieved, but it requires preparing a standard sample and creating a calibration curve for each analyte
Solution Approach 1:
The patent segments the large number of analytes into multiple groups based on their retention times. Each group is analyzed separately with its own internal standard, allowing calibration curves to be created for groups rather than individual analytes. This reduces the overall complexity while maintaining accuracy through group-based segmentation.
Solution Approach 2:
The patent uses a single internal standard substance that serves multiple functions: it corrects for variations in injection amount, vaporization, and serves as a reference for multiple analytes within its retention time range. This multi-functional approach eliminates the need for separate internal standards for each analyte.
2Reliability
If the internal standard method is used to avoid measurement errors, then measurement errors due to sample injection variation and vaporization can be avoided, but it requires adding a fixed quantity of internal standard substance and creating calibration curves with peak area ratios
Solution Approach 1:
The patent employs a single internal standard substance that universally corrects measurement errors for multiple analytes simultaneously. This internal standard is added once to the sample and provides error correction for all analytes within its retention time range, eliminating the need to add multiple internal standards and significantly simplifying the operation.
3Productivity
If simultaneous multicomponent analysis is performed to determine quantities of tens or hundreds of compounds, then efficiency is improved, but it becomes practically impossible to prepare standard samples and create calibration curves for each analyte
Solution Approach 1:
The patent divides hundreds of analytes into multiple groups based on retention time ranges. Each group is handled with a single internal standard, allowing simultaneous multicomponent analysis to proceed efficiently without requiring separate calibration curves for each individual analyte. This segmentation makes large-scale analysis practically feasible.
Solution Approach 2:
The patent combines multiple analytes into groups that share common internal standards and calibration curves. By merging the treatment of multiple analytes under a single calibration framework, the patent achieves simultaneous multicomponent analysis with dramatically reduced preparation complexity while maintaining analytical accuracy.
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 highly accurate quantitative determination of multiple analytes with a significantly reduced number of surrogates, correcting for variations in signal intensity and sample loss, thus simplifying the analysis process and reducing costs.
Implementation Method 1
a number of analytes which may possibly be contained in a sample to be analyzed is divided into a plurality of groups based on at least either an elution position determined by silica gel column chromatography under the same condition or a partition ratio in a hexane-acetonitrile partition method
Data Source
AI summary
A number of analytes are divided into groups based on at least either the elution position determined by silica gel column chromatography under the same condition or the partition ratio in a hexane-acetonitrile partition method. To each group, a compound obtained by labeling one of the compounds in the group by deuterium and/or carbon is assigned as the surrogate. After those surrogates are added as internal standard substances to a standard sample for the creation of calibration curves, a GC/MS analysis for the sample is performed and a calibration curve is created for each analyte. In the measurement of an unknown sample, the same set of surrogates are added to the sample and the GC/MS analysis is performed. A quantitative determination processor determines the quantity of each analyte by comparing a peak area ratio calculated from the analysis result with a calibration curve read from the database.