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Direct quantification of M/G ratio from C CP-MAS NMR spectra of alginate powders by multivariate curve resolution
Authors:Tina Salomonsen  Henrik Max Jensen  Stefan Steuernagel
Affiliation:a University of Copenhagen, Faculty of Life Sciences, Department of Food Science, Quality & Technology, Rolighedsvej 30, 1958 Frederiksberg C, Denmark
b Danisco A/S, Advanced Analysis, Edwin Rahrs Vej 38, 8220 Brabrand, Denmark
c Bruker-Biospin GMBH, 76287 Rheinstetten, Germany
Abstract:Multivariate curve resolution (MCR) was applied to 13C cross-polarisation (CP) magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectra of non-depolymerised alginate powders obtained from brown seaweed plus a pure mannuronate sample isolated from Pseudomonas fluorescens for estimation of the mannuronic acid/guluronic acid ratio (M/G ratio). An excellent MCR model with a correlation coefficient of r2 = 0.99 was established between the estimated M/G ratios and the M/G ratios obtained from the traditional 1H solution state NMR method. The new method allows for successful determination of the M/G ratio independent of the calcium content (at least up to 2.4%, which was the upper limit in this study) with a root mean square error of prediction of 0.05. It is thus concluded that 13C CP-MAS NMR in combination with multivariate curve resolution is a reliable, convenient (no sample preparation is required) and relatively rapid method for M/G ratio determinations of alginates and it may serve as a good alternative to the chemical techniques traditionally used.
Keywords:Alginate   CP-MAS NMR   Deconvolution   Multivariate curve resolution
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