Multivariate analysis of time domain NMR signals in relation to food quality

Fat and moisture content determination with unilateral NMR

“…NAP/CLS is related to other multivariate regression methods such as partial least-squares (PLS) and principal component regression (PCR), which have been previously applied to food analysis with bore-magnet NMR instruments (Gerbanowski, Rutledge, Feinberg, & Ducauze, 1997;Pedersen, Munck, & Engelsen, 2000;Prestes et al, 2007;Rudi, Guthausen, Burk, Reh, & Isengard, 2008). Although it is PLS that dominates the applications of multivariate regression of NMR data (Micklander et al, 2003), we have chosen NAP/CLS as it outperforms PLS when the number of calibration samples is reduced (Goicoechea & Olivieri, 2001b). It has the advantage of an intuitive basis that enables more feasible estimation of figures of merit (Lorber, 1986;Lorber, Faber, & Kowalski, 1997).…”

DoubleSlicing: A non-iterative single profile multi-exponential curve resolution procedure

“…The rationale behind DOUBLESLICING is to slice the data twice and thus from a single relaxation profile generate a three-dimensional data array that can be resolved by trilinear mathematical models [9]. Fig.…”

“…The number of slabs (pseudosamples) is usually equal to, or larger than, the number of components one wishes to extract. DOUBLESLICING involves a second data pre-processing step in which the previous slicing procedure is repeated along the columns, resulting in a three-way data matrix containing low-rank trilinear variation that can then be analyzed using multiway techniques [9].…”

“…In recent years, many algorithms have been developed to overcome some of these limitations. NMR relaxometry, when combined with methods such as DECRA, represents a unique approach for studying, for example, water compartmentalization in gels, meat, dough, bread and dairy products, and for the determination of solid/fat content in edible oils [5][6][7][8][9].…”

Multivariate modelling of the microstructural quality of food emulsions based on NMR

“…These applications illustrate the power of the combination of multi-variate techniques with spectroscopy for compositional quality and safety. With respect to the mining of microstructural information in spectroscopic data, the application of MVDA techniques has not gained full recognition yet, but has been identified as a promising new area (Bechman, Pedersen, Norgaard, & Engelsen, 1999;Mickländer et al, 2003;Mortensen, Thybo, Bertram, Andersen, & Engelsen, 2005;Rutledge, 1997). In this study, we explore this approach for establishing the microstructural basis of selected quality parameters of a model protein stabilised food emulsion.…”