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Analysis of complex mixtures using high-resolution nuclear magnetic resonance spectroscopy and chemometrics

Lookup NU author(s): Dr James DonarskiORCiD

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Abstract

Analysis of complex mixtures using high-resolution nuclear magnetic resonance spectroscopy and chemometrics is presented. The alignment of data is particularly important in comparative studies but experimental parameters and sample conditions cannot always be adequately controlled. At present, the major drawbacks to two-dimensional techniques are the significantly longer data acquisition times and the lack of chemometric methods to handle the huge datasets efficiently. Experiments that involve the analysis of complex mixtures, previously monopolized by chromatographic techniques, are now entirely possible through the application of a range of NMR experiments in conjunction with sophisticated means of extracting valuable information from very large and highly complex datasets. NMR is a highly reproducible and information-rich technique and developments are set to continue.

Publication metadata

Author(s): McKenzie JS, Donarski JA, Wilson JC, Charlton AJ

Publication type: Review

Publication status: Published

Journal: Progress in Nuclear Magnetic Resonance Spectroscopy

Year: 2011

Volume: 59

Issue: 4

Pages: 336-359

Print publication date: 01/11/2011

Online publication date: 12/05/2011

ISSN (print): 0079-6565

ISSN (electronic): 1873-3301

Publisher: Elsevier B.V.

URL: https://doi.org/10.1016/j.pnmrs.2011.04.003

DOI: 10.1016/j.pnmrs.2011.04.003

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