A review on second- and third-order multivariate calibration applied to chromatographic data

Area of Science:

• Analytical Chemistry
• Chromatography
• Chemometrics

Background:

• Complex analytical data require advanced processing techniques.
• Chromatographic methods generate multi-dimensional data (second- and third-order).
• Retention time shifts pose challenges in quantitative analysis.

Purpose of the Study:

• To review quantitative analytical works using second- and third-order chromatographic data.
• To discuss data acquisition modes and processing algorithms.
• To highlight methods effectively utilizing multidimensional chromatographic data.

Main Methods:

• Review of quantitative analytical works.
• Classification and discussion of algorithms for second- and third-order data.
• Analysis of methods addressing retention time shifts.
• Focus on achieving the 'second-order advantage'.

Main Results:

• Various modes for acquiring second- and third-order chromatographic data are presented.
• Algorithms capable of handling retention time shifts are discussed.
• Numerous works applying these techniques for quantitative analysis are summarized.
• Emphasis on achieving the full potential of multidimensional data.

Conclusions:

• Second- and third-order chromatographic data offer enhanced quantitative analytical capabilities.
• Effective algorithms are crucial for overcoming challenges like retention time shifts.
• Maximizing the 'second-order advantage' is key to robust quantitative analysis.