Pharmaceutical Stability Analysis Using Multi-Substance Reaction Models

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Solution Overview

Problem

Existing methods for predicting the effective period of pharmaceuticals face inaccuracies due to insufficient data points and poor signal-to-noise ratios, especially when estimating parameters for reaction models, leading to unreliable predictions of active ingredient stability.

Innovation Solution

A sample analysis device and method that acquires quantitative measurement information, models substances using stored reaction models, and calculates accurate estimation information using a calculator to predict the effective period of pharmaceuticals.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Device complexity

If measurement data with few data points is used to estimate reaction model parameters, then the analysis process is simple, but the estimation accuracy of the parameter is poor

Engineering Contradiction:

Improveanalysis process complexityVSAvoidparameter estimation accuracy

Core Design Contradiction:

Device complexityVSMeasurement precision

Solution Approach 1:

The patent combines measurement data of multiple substances (test substance and similar substances) to simultaneously estimate reaction model parameters. By merging the data from multiple substances that share similar decomposition characteristics, the system achieves more accurate parameter estimation even when individual substance data is limited.

Inventive Principle:

Principle #5Merging (Combining)

Solution Approach 2:

The patent introduces 'similar substances' as intermediaries to improve the estimation of test substance parameters. These similar substances serve as mediators that provide additional data points and information, enabling more accurate parameter estimation through comparative analysis and data integration.

Inventive Principle:

Principle #24Intermediary (Mediator)

2Reliability

If measurement data of subtle impurity amounts is used, then the analysis focuses on critical impurities, but the S/N ratio is poor leading to poor parameter estimation accuracy

Engineering Contradiction:

Improveimpurity detection reliabilityVSAvoidparameter estimation accuracy

Core Design Contradiction:

ReliabilityVSMeasurement precision

Solution Approach 1:

The patent combines measurement data from multiple substances including those with subtle impurity amounts. By aggregating data across multiple substances analyzed simultaneously, the signal from subtle impurities is enhanced relative to noise, improving both detection reliability and parameter estimation accuracy.

Inventive Principle:

Principle #5Merging (Combining)

Solution Approach 2:

The patent changes the estimation approach by simultaneously estimating parameters for multiple substances together rather than individually. This parameter coupling approach allows the system to extract meaningful information from subtle impurity data by leveraging correlations and patterns across multiple substances.

Inventive Principle:

Principle #35Parameter changes

3Loss of time

If a reaction model is used to predict effective period, then the prediction can be made without long-term storage testing, but the prediction accuracy is poor when parameter estimation is inaccurate

Engineering Contradiction:

Improvetesting timeVSAvoideffective period prediction accuracy

Core Design Contradiction:

Loss of timeVSMeasurement precision

Solution Approach 1:

The patent merges measurement data from multiple substances to improve the accuracy of reaction model parameter estimation. This enhanced parameter accuracy enables more reliable effective period predictions through the reaction model, reducing the need for long-term storage testing while maintaining prediction accuracy.

Inventive Principle:

Principle #5Merging (Combining)

Solution Approach 2:

The patent performs preliminary estimation of reaction model parameters using measurement data from multiple substances. This preliminary action provides accurate baseline parameters that can be used for reliable prediction of effective periods, eliminating the need to wait for long-term storage test results.

Inventive Principle:

Principle #10Preliminary action

Data Source

PatentUS12580052B2Sample analysis device, sample analysis method, pharmaceutical analysis device and pharmaceutical analysis method

Publication Date: 2026.03.17 SHIMADZU CORP

AI summary

A sample analysis device includes an acquirer that acquires quantitative measurement information (measurement data) of a plurality of substances including a test substance present in a sample, an estimator that retrieves a reaction model stored in a storage device, models the test substance using the reaction model and provides the quantitative measurement information (measurement data) of the plurality of substances to the reaction model of the test substance to estimate a parameter of the reaction model, and a calculator that calculates quantitative estimation information of the test substance in any period of time or information in regard to a period of time until quantitative estimation information of the test substance reaches a predetermined threshold value, based on the parameter estimated by the estimator.