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Related Concept Videos

Mass Spectrometry: Complex Analysis01:21

Mass Spectrometry: Complex Analysis

Mass spectrometry is an important technique for the identification of pure compounds. However, it has some limitations for the analysis of complex mixtures, often due to excessive fragmentation making the spectrum too complicated to decipher. Mass spectrometry can be combined with suitable separation methods in sequence, forming hyphenated methods, which are useful in the analysis of complex mixtures.
GC–MS is a powerful hyphenated method commonly used in forensics and environmental...
Two-dimensional Gel Electrophoresis01:22

Two-dimensional Gel Electrophoresis

Two-dimensional gel electrophoresis is a high-resolution protein separation method first introduced by O' Farrell and Klose in 1975. This method involves protein separation by two dimensions, mass and charge, making it more accurate than one-dimensional gel electrophoresis.
The first dimension separation uses the isoelectric focusing or IEF technique performed on immobilized pH gradient (IPG) strips that separate proteins according to their isoelectric points.
Biological samples, such as  cells...
Optimizing Chromatographic Separations01:15

Optimizing Chromatographic Separations

Optimizing chromatographic separations is crucial for obtaining clean separations in a minimum amount of time. Optimization is required for several factors, including kinetic effects related to band broadening, plate height, capacity factor, and separation factor.
Band broadening refers to spreading solute bands as they travel through the column. This broadening can impact resolution. Plate height (H) represents the length required for one theoretical plate. A lower plate height corresponds to...
Capillary Electrophoresis: Applications01:30

Capillary Electrophoresis: Applications

Capillary electrophoretic separations offer various modes, each with unique applications. These modes include capillary zone electrophoresis, capillary gel electrophoresis, capillary array electrophoresis, capillary isoelectric focusing, capillary isotachophoresis, micellar electrokinetic chromatography, and capillary electrochromatography.
Capillary zone electrophoresis (CZE) separates ionic components based on their electrophoretic mobility. It has been used to separate proteins, amino acids,...
Chromatographic Methods: Classification01:12

Chromatographic Methods: Classification

Chromatographic techniques are classified in three ways: the classification is based on the physical state of the stationary and mobile phases, how the mobile phase and the stationary phase contact each other, or through the chemical or physical processes that isolate the components of the sample. Typically, the mobile phase is either a liquid or gas, while the stationary phase is either a solid or a liquid layer applied to a solid surface.
Chromatographic techniques are typically named by...
2D NMR: Overview of Heteronuclear Correlation Techniques01:18

2D NMR: Overview of Heteronuclear Correlation Techniques

Heteronuclear correlation spectroscopy is an analytical technique that investigates the coupling between different types of nuclei, often a proton and an X-nucleus, such as carbon-13 or nitrogen-15. This method is commonly used in nuclear magnetic resonance (NMR) spectroscopy to gain insights into complex chemical compounds' structural and compositional aspects. A typical heteronuclear correlation spectrum displays X-nucleus chemical shifts on one axis and a proton spectrum on the other axis.

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Updated: May 21, 2026

Chromatographic Fingerprinting by Template Matching for Data Collected by Comprehensive Two-Dimensional Gas Chromatography
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Chromatographic Fingerprinting by Template Matching for Data Collected by Comprehensive Two-Dimensional Gas Chromatography

Published on: September 2, 2020

Review of chemometric analysis techniques for comprehensive two dimensional separations data.

Karisa M Pierce1, Benjamin Kehimkar, Luke C Marney

  • 1Department of Chemistry and Biochemistry, 3307 Third Avenue West, Suite 205, Seattle Pacific University, Seattle, WA 98119, USA.

Journal of Chromatography. A
|June 26, 2012
PubMed
Summary

Chemometric data analysis transforms complex data from comprehensive 2D separations (GC×GC, LC×LC) into actionable information. This review highlights recent advances in algorithms, software, and applications for multidimensional separation data analysis.

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Qualitative Characterization of the Aqueous Fraction from Hydrothermal Liquefaction of Algae Using 2D Gas Chromatography with Time-of-flight Mass Spectrometry
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Qualitative Characterization of the Aqueous Fraction from Hydrothermal Liquefaction of Algae Using 2D Gas Chromatography with Time-of-flight Mass Spectrometry

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On-line Analysis of Nitrogen Containing Compounds in Complex Hydrocarbon Matrixes
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On-line Analysis of Nitrogen Containing Compounds in Complex Hydrocarbon Matrixes

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Chromatographic Fingerprinting by Template Matching for Data Collected by Comprehensive Two-Dimensional Gas Chromatography
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Qualitative Characterization of the Aqueous Fraction from Hydrothermal Liquefaction of Algae Using 2D Gas Chromatography with Time-of-flight Mass Spectrometry
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On-line Analysis of Nitrogen Containing Compounds in Complex Hydrocarbon Matrixes

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Area of Science:

  • Analytical Chemistry
  • Chemometrics
  • Separation Science

Background:

  • Comprehensive 2D separations (GC×GC, LC×LC) generate large, complex datasets.
  • Chemometric data analysis is essential for extracting meaningful information from these datasets.
  • Previous reviews have covered this topic, necessitating an update on recent advancements.

Purpose of the Study:

  • To review recent (past five years) advances in chemometric data analysis for comprehensive 2D separations.
  • To cover key areas including data preprocessing, target and non-target analysis, and software solutions.
  • To provide an overview of current trends and developments in the field.

Main Methods:

  • Focus on instrumental platforms like GC×GC with FID or TOFMS detection, and LC×LC with DAD detection.
  • Review of literature focusing on novel algorithms and user-friendly chemometric software.
  • Categorization of techniques into data preprocessing, target analyte, and comprehensive non-target analysis.

Main Results:

  • Significant advances in chemometric algorithms and software for multidimensional separations.
  • Increased application of chemometric tools for GC×GC and LC×LC data analysis.
  • Development of user-friendly software by the commercial sector.

Conclusions:

  • Chemometric data analysis is crucial for interpreting complex multidimensional separation data.
  • Ongoing research continues to enhance the capabilities of chemometric tools in this domain.
  • The field is characterized by continuous development in algorithms, software, and applications.