Magnetic Resonance in Food Science
Food for Thought
By J. van Duynhoven, H. Van As, P.S. Belton, G.A. WebbThe Royal Society of Chemistry
Copyright © 2013 The Royal Society of Chemistry
All rights reserved.
ISBN: 978-1-84973-634-3Contents
Data Processing and Analysis,
Evaluation of approaches for quantitative targeted profiling of complex compositions using ID 1H NMR spectroscopy D.M. Jacobs, E. van Velzen and V. Mihaleva, 3,
Alignment of ID NMR data using the iCOSHIFT tool: a tutorial F. Savorani, G. Tomasi and S.B. Engelsen, 14,
Laplace inversion for NMR data analysis Y. Song, 25,
Structure and Function, Spectroscopy/Relaxometry,
The effect of crystal size and encapsulation of salt on sodium distribution and mobility in bread as studied with 23Na double quantum filtering NMR M. Guojónsdóttir, A. Traoré and, J-P. Renou, 35,
In situ quantitative proton nuclear magnetic resonance spectroscopy analysis of milk fat fusion R. Bouteille, J. Perez, F. Khifer, D. Jouan-Rimbaud-Bouveresse, B. Lecanu and H. This, 44,
Multi-nuclear solid-state NMR as a tool to assess hydration properties of polysaccharides – regioselectively etherified celluloses Flemming H. Larsen, Michael Schöbitz and Jens Schaller, 53,
Domain sizes in triglyceride networks by 1H spin-diffusion NMR M. A. Voda, G.-J. Goudappel, R. den Adel and J. van Duynhoven, 61,
A 1H nuclear magnetic resonance (NMR) study of the changes occurring during pound cake storage E. Wilderjans, A. Luyts, I. Van Haesendonck, K. Brijs, C.M. Courtin and J.A. Delcour, 72,
Investigating depth profiles from porcine adipose tissue by HR MAS NMR spectroscopy N. Viereck, K.M. Sørensen and S.B. Engelsen, 81,
Structure and Function, Imaging/Diffusometry,
Structures in food: possibilities of imaging and diffusometry R. Bernewitz, M. Horvat, H. P. Schuchmann and G. Guthausen, 93,
Non-invasive determination of functional and structural properties of materials M.L.H. Gruwel, P. Latta and B. Tomanek, 103,
The effect of structure and imbibition mode on the rehydration kinetics of freeze-dried carrots F. Vergeldt, A. Duijster, R. van der Sman, A. Voda, S. Khalloufi, G. van Dalen, L. van Vliet, J. van Duynhoven and H. Van As, 112,
Permeability and stability of microcapsules S. Henning, D. Edelhoff, S. Leick, H. Rehage and D. Suter, 122,
MRI and bidimensional relaxometry sequences for macro and microstructure assessment in food models A. Melado-Herreros, P.Barreiro, M.E. Fernandez-Valle, T. Jimenez-Ariza, E.C. Correa, N. Campos, V. Diaz-Barcos, E.M. Rivas, M.I. Silóinz and B. Hills, 130,
Quality and Safety,
NMR approach to the study of food metabolites: practical aspects L. Mannina, A.P. Sobolev, N. Proietti, and D. Capitani, 141,
Certification of primary standards for Solid Fat Content (SFC) determination A. Bernreuther, H. Schimmel and J. van Duynhoven, 150,
Identification and semi-quantification of polysaccharides in complex food matrices by NMR E. van Velzen, N. de Roo, R. Poort, L. van Adrichem, K. Brunt, H. Schols, Y. Westphal, L. Mariani, C. Gru'n and J. van Duynhoven, 156,
High resolution-magic angle spinning NMR study of olive leaves E. Manolopoulou, A. Spinella, E. Caponetti, P. Dais, and A. Spyros, 164,
FoodOmics,
Metabolomics in a move towards personalised nutrition L. Brennan, 173,
The large scale identification and quantification of conjugates of intact and gut microbial bioconversion products of polyphenols J.J.J. van der Hooft, R.C.H. de Vos, R.J. Bino, V. Mihaleva, L. Ridder, N. de Roo, D. M. Jacobs, J. van Duynhoven, and J. Vervoort, 177,
Comprehensive analysis of coffee bean extracts by NMR spectroscopy: time course of changes in composition F. Wei, K. Furihata, T.Miyakawa, M. Koda, F. Hu and M. Tanokura, 183,
Impact of different cultivation methods on the metabolic profile of apples studied by 1H HR-MAS NMR spectroscopy M. Vermathen, M. Marzorati, D. Baumgartner, C. Good and P. Vermathen, 193,
Time domain measurements and high resolution spectroscopy are powerful Nuclear Magnetic Resonance approaches suitable to evaluate the in vitro digestion of protein-rich food products L. Laghi, E. Babini, A. Bordoni, A. Ciampa, F. Danesi, M. DiNunzio, G. Picone, V. Valli and F. Capozzi, 201,
Perception and Behaviour,
Central processing of behaviorally relevant odors in the brain of awake rats, as revealed by functional Manganese-enhanced MRI. B. Lehallier, O. Rampin, A. Saint-Albin, N. Jerome, C. Ouali, Y. Maurin, J.-M. Bonny, 215,
Appetite in the brain P.A.M. Smeets, 221,
Subject Index, 231,
CHAPTER 1
EVALUATION OF APPROACHES FOR QUANTITATIVE TARGETED PROFILING OF COMPLEX COMPOSITIONS USING 1D 1H NMR SPECTROSCOPY
Doris M. Jacobs, Ewoud van Velzen, Velitchka Mihaleva
1. INTRODUCTION
Profiling of low molecular weight (LMW) compounds provides an 'unbiased' and broad view on the composition of foods and biofluids and thus is a promising approach to control the quality and safety of foods ' as well as to assess the effect of foods/nutrients in biological systems. One-dimensional (1D) 1H NMR-based profiling of LMW compounds is a common method, as it allows for simultaneously measuring a wide range of compounds with different physico-chemical properties in foods and biological fluids. It is often preferred over other analytical techniques such as LC/MS because of its speed, reproducibility and versatility despite its low sensitivity (approx > 0.1 mg/g). In addition, NMR spectroscopy delivers quantitative information by using internal or external calibrants such as chemical compounds (trimethylsilyl propionate (TSP-d6), 4,4-dimethyl-4-silapentane-1-sulfonic acid (DSS-d6) or maleic acid) or an electronic signal (ERETIC). In particular, recent advances in instrumental performance such as the PULCON (PUlse Length based CONcentration determination) method provide accurate concentrations using external calibrants. Notably, NMR spectroscopy does not require compound-specific external standards for absolute quantification, which often limits MS analysis if these standards are not commercially available.
Although quantitative NMR (qNMR) has been applied for decades mainly for structural elucidation of pure organic compounds, qNMR has only recently gained in importance for mixture analysis due to the higher resolution and sensitivity of the modern NMR instruments. Yet, the quantification of LMW compounds from 1D 1H NMR profiles nowadays still is a major hurdle because of the signal overlap preventing the accurate integration of NMR signals. This signal overlap can be reduced by acquiring two-dimensional (2D) NMR spectra, in which information is spread out to the second dimension. For example, the 2D 1H-13C heteronuclear single quantum correlation (HSQC) NMR experiments have been applied to quantify a number of metabolites in human urine. However, the data acquisition time is longer and the sensitivity of the 2D spectra is lower compared to 1D 1H NMR spectra. Alternatively, solid phase extraction (SPE) or liquid chromatography (LC) methods can be connected prior to NMR data acquisition to isolate specific compounds or compound classes. This method has mainly been applied to clean up samples, to enhance signals for better identification and quantification of compounds. Recently, SPE-NMR has also been applied to generate complementary, less complex sub-profiles from human urine samples. However, the time saving for the analysis of these sub-profiles goes at the...
