Mathematical chromatography solves the cocktail party effect in mixtures using 2D spectra and PARAFAC

Rasmus Bro; Nanna Viereck; Marianne Toft; Henrik Toft; Peter Ibsen Hansen; Søren Balling Engelsen

doi:10.1016/j.trac.2010.01.008

Mathematical chromatography solves the cocktail party effect in mixtures using 2D spectra and PARAFAC

Rasmus Bro, Nanna Viereck, Marianne Toft, Henrik Toft, Peter Ibsen Hansen, Søren Balling Engelsen

26 Citations (Scopus)

Abstract

The cocktail party effect in analytical chemistry refers to the ability to measure a complex mixture of analytes and to resolve the signals from a single analyte. We describe a new approach that we have coined mathematical chromatography, where data from complex spectra are resolved into pure-analyte information by so-called three-way modeling. Three-way analysis requires the addition of an extra dimension to the signals being acquired. Here, as an example, mathematical chromatography is applied to a series of diffusion-edited 2D NMR spectra of mixtures of glucose, maltose and maltotriose to demonstrate that it is possible to identify and to resolve individual components in highly overlapping 2D NMR spectra.

Original language	English
Journal	Trends in Analytical Chemistry
Volume	29
Issue number	4
Pages (from-to)	281-284
Number of pages	4
ISSN	0165-9936
DOIs	https://doi.org/10.1016/j.trac.2010.01.008
Publication status	Published - Apr 2010

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title = "Mathematical chromatography solves the cocktail party effect in mixtures using 2D spectra and PARAFAC",

abstract = "The cocktail party effect in analytical chemistry refers to the ability to measure a complex mixture of analytes and to resolve the signals from a single analyte. We describe a new approach that we have coined mathematical chromatography, where data from complex spectra are resolved into pure-analyte information by so-called three-way modeling. Three-way analysis requires the addition of an extra dimension to the signals being acquired. Here, as an example, mathematical chromatography is applied to a series of diffusion-edited 2D NMR spectra of mixtures of glucose, maltose and maltotriose to demonstrate that it is possible to identify and to resolve individual components in highly overlapping 2D NMR spectra.",

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AU - Bro, Rasmus

AU - Viereck, Nanna

AU - Toft, Marianne

AU - Toft, Henrik

AU - Hansen, Peter Ibsen

AU - Engelsen, Søren Balling

PY - 2010/4

Y1 - 2010/4

N2 - The cocktail party effect in analytical chemistry refers to the ability to measure a complex mixture of analytes and to resolve the signals from a single analyte. We describe a new approach that we have coined mathematical chromatography, where data from complex spectra are resolved into pure-analyte information by so-called three-way modeling. Three-way analysis requires the addition of an extra dimension to the signals being acquired. Here, as an example, mathematical chromatography is applied to a series of diffusion-edited 2D NMR spectra of mixtures of glucose, maltose and maltotriose to demonstrate that it is possible to identify and to resolve individual components in highly overlapping 2D NMR spectra.

AB - The cocktail party effect in analytical chemistry refers to the ability to measure a complex mixture of analytes and to resolve the signals from a single analyte. We describe a new approach that we have coined mathematical chromatography, where data from complex spectra are resolved into pure-analyte information by so-called three-way modeling. Three-way analysis requires the addition of an extra dimension to the signals being acquired. Here, as an example, mathematical chromatography is applied to a series of diffusion-edited 2D NMR spectra of mixtures of glucose, maltose and maltotriose to demonstrate that it is possible to identify and to resolve individual components in highly overlapping 2D NMR spectra.

U2 - 10.1016/j.trac.2010.01.008

DO - 10.1016/j.trac.2010.01.008

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JO - Trends in Analytical Chemistry

JF - Trends in Analytical Chemistry

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ER -

Mathematical chromatography solves the cocktail party effect in mixtures using 2D spectra and PARAFAC

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