title: Correlation of porous and functional properties of food materials by NMR relaxometry and multivariate analysis.
abstract: The porous properties of food materials are known to determine important macroscopic parameters such as water-holding capacity and texture. In conventional approaches, understanding is built from a long process of establishing macrostructure-property relations in a rational manner. Only recently, multivariate approaches were introduced for the same purpose. The model systems used here are oil-in-water emulsions, stabilised by protein, and form complex structures, consisting of fat droplets dispersed in a porous protein phase. NMR time-domain decay curves were recorded for emulsions with varied levels of fat, protein and water. Hardness, dry matter content and water drainage were determined by classical means and analysed for correlation with the NMR data with multivariate techniques. Partial least squares can calibrate and predict these properties directly from the continuous NMR exponential decays and yields regression coefficients higher than 82%. However, the calibration coefficients themselves belong to the continuous exponential domain and do little to explain the connection between NMR data and emulsion properties. Transformation of the NMR decays into a discreet domain with non-negative least squares permits the use of multilinear regression (MLR) on the resulting amplitudes as predictors and hardness or water drainage as responses. The MLR coefficients show that hardness is highly correlated with the components that have T2 distributions of about 20 and 200 ms whereas water drainage is correlated with components that have T2 distributions around 400 and 1800 ms. These T2 distributions very likely correlate with water populations present in pores with different sizes and/or wall mobility. The results for the emulsions studied demonstrate that NMR time-domain decays can be employed to predict properties and to provide insight in the underlying microstructural features.
authors.affiliation: Foods Research Center, Unilever Research, Vlaardingen, Olivier van Noortlaan 120, 3133AT, Vlaardingen, The Netherlands. adrianmhaiduc@yahoo.com
authors.forename: Adrian Marius
authors.initials: AM
authors.lastname: Haiduc
authors.forename: John
authors.initials: J
authors.lastname: van Duynhoven
mesh_terms: D004655:Emulsions / Q000737:chemistry; D005504:Food Analysis; D006244:Hardness; D016018:Least-Squares Analysis; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D015999:Multivariate Analysis; D009821:Oils; D016062:Porosity; D011506:Proteins / Q000737:chemistry; D014867:Water
chemical_list: D004655:Emulsions; D009821:Oils; D011506:Proteins; D014867:Water