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

TY - JOUR

T1 - Mathematical chromatography solves the cocktail party effect in mixtures using 2D spectra and PARAFAC

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

M3 - Journal article

SN - 0165-9936

VL - 29

SP - 281

EP - 284

JO - Trends in Analytical Chemistry

JF - Trends in Analytical Chemistry

IS - 4

ER -