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An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

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Published on: December 4, 2017

Coupled vectors resolution method for chemometric calibration with three-way data.

J H Jiang¹, H L Wu, Z P Chen

¹College of Chemistry and Chemical Engineering, Hunan University, Changsha, 410082, P. R. China.

Analytical Chemistry

|June 14, 2011

Summary

This summary is machine-generated.

A novel second-order calibration method, coupled vectors resolution (COVER), directly quantifies analytes. This approach effectively utilizes multisample information for accurate concentration estimation and profile resolution.

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Area of Science:

Analytical Chemistry
Chemometrics

Background:

Second-order calibration methods are crucial for resolving overlapping signals in complex mixtures.
Existing methods may have limitations in utilizing multisample information or providing direct solutions.

Purpose of the Study:

To introduce a new second-order calibration procedure called coupled vectors resolution (COVER).
To develop a method that yields direct solutions for quantitation in various second-order calibration scenarios.
To enable statistically plausible utilization of multisample information.

Main Methods:

The coupled vectors resolution (COVER) method seeks vectors minimizing a least-squares criterion.
It resolves analyte profiles in each order using calibration samples.
Concentrations are calculated directly, even with a single calibration sample.

Main Results:

The COVER method provides direct solutions for second-order calibration problems.
It effectively uses multisample information for improved quantitation.
Simulated and real-world examples demonstrate acceptable performance in profile resolution and concentration estimation.

Conclusions:

The COVER method offers a statistically sound and direct approach to second-order calibration.
It enhances the ability to predict concentrations in unknown mixtures.
The method proves effective for both multiple and single calibration sample scenarios.