- Multivariate Analysis That Permits Profiling and Quantitation of Target Components

The general analytical chemistry approach to the analysis of pesticides in foods, for example, is to determine the properties of the compound when the target component is known.
However, problems with mutual interference between components may occur during chemical evaluation.
When searching for biomarkers or performing production area discrimination by metabolomics, importance is placed on the variation in the amount of multiple components.
Profiling (multivariate analysis) is a useful tool for determining the amount of a target substance in such complex mixtures or to search for characteristic components.
Shimadzu features a variety of analytical instruments that can be applied for a wide range of profiling analyses.

What Is Multiprofiling?

Profiling (multivariate analysis) is classified into classification methods and quantitation methods. Classification methods are used as comprehensive analysis methods for discovering active components in the fields of medicine and life sciences. Quantitation methods are mainly used in the fields of agriculture and chemistry for the quantitation of active components in a mixture.

Types of Analysis Using Profiling

Multiprofiling Solutions

Applications related to profiling can be downloaded.

Example of Comprehensive Analysis

Degradation Analysis of Dye-Sensitized Solar Cell Electrolyte

Changes in the composition of a solar cell electrolyte over time affect the performance and service life of the solar cell. Selecting only the components involved in degradation among multiple components, including impurities, is an effective method for identifying the cause of degradation.
The LCMS-IT-TOF hybrid liquid chromatograph-mass spectrometer not only simplifies estimation of the structure of unknown components, it can discover candidate components to act as indicators of electrolyte degradation.

(Samples supplied by: Professor Hiroshi Segawa and Associate Professor Satoshi Uchida, University of Tokyo Research Center for Advanced Science and Technology)

Quality Control of Japanese Tea

To evaluate the quality of Japanese tea, the multiple components that vary according to the tea grade were profiled among the huge amount of component peak information acquired by a gas chromatograph-mass spectrometer. Multivariate analysis (principal component analysis (PCA)) enables instantaneous detection of active components within the huge amount of information.

(Acknowledgement: This research was undertaken with the cooperation of Professor Eiichiro Fukuzaki and Associate Professor Takeshi Bamba, Division of Advanced Science and Biotechnology Graduate School of Engineering, Osaka University.)

Application to Quantitation of Target Components

Ripeness Prediction in Fruit

Multiprofiling also permits numerous applications, such as the measurement of sugar and ripeness in fruit, flavor measurement of rice, and the quantitation of specific components and target components in a multi-compound mixture.
The deterioration of an apple left at room temperature calculated from the chlorophyll levels measured with a UV-VIS spectrophotometer and an example of the PLS model created to predict the number of days the apple has been left at room temperature are shown below.

Days elapsed Predicted result by PLS model using verification data
0 -0.66 
7 7.33
14 15.26
21 21.72
28 30.32
35 35.19

For Research Use Only. Not for use in diagnostic procedures.

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