CONTENTS

PREFACE

List of Contributors

Application of NMR to Resolve Food Structure, Composition and Quality

FOOD DIMENSIONS

Composition

Nutrients

Bio-availability

Food Matrix

Texture

Structure

The Macrostructure Level:

The Microstructure Level:

Stability and Processing

Water Diffusion

Thermal Conductivity

NMR AS A MULTIPURPOSE TECHNIQUE FOR FOOD ASSAY

Spectroscopy

1. Food Authentication

2. Food Origin

3. Food Traceability

Relaxometry

Magnetic Resonance Imaging

Hybrid Methods

Chemical Shift Imaging

Relaxometry Mapping

Spectral-Relaxation Deconvolution

DATA ANALYSIS, INFORMATION EXTRACTION AND KNOWLEDGE GENERATION

Analytic Approach

Holistic View

PROSPECTS

CONCLUDING REMARKS

CONFLICT OF INTEREST

ACKNOWLEDGEMENTS

REFERENCES

NMR Spectroscopy for Evaluation of Lipid Oxidation

INTRODUCTION

Challenges in Assessing Lipid Oxidation

1H NMR Spectroscopy for Assessment of Lipid Oxidation

Assessment of Lipid Oxidation by Monitoring 1H NMR Signal Intensities

1H NMR Spectroscopy for Identification of Oxidation Products

13C NMR spectroscopy for Assessment of Lipid Oxidation

31P NMR

CONCLUSION

CONFLICT OF INTEREST

ACKNOWLEDGEMENTS

REFERENCES

The Application of NMR Spectroscopy to the Study of Pyranoanthocyanins: Structural Elucidation, Solution Equilibria and Exhibited Color in Foods and Beverages

1. PYRANOANTHOCYANINS: AN INTERESTING CLASS OF PIGMENTS DERIVED FROM ANTHOCYANINS

1.1. Introduction

1.2. Chemical Structure of Anthocyanins

1.3. Influence of Aqueous Solution Equilibria on Anthocyanin Chemical Structure

1.4. Reactivity of Anthocyanins. Formation of Anthocyanin-Derived Pigments

1.4.1. Thermal Degradation

1.4.2. Oxidation

1.4.3. Copigmentation

1.4.4. Formation of Anthocyanin-Derived Pigments

2. PYRANOANTHOCYANINS: STRUCTURES, PROPERTIES AND DISTRIBUTION AMONG FOODSTUFFS

2.1. Structures of Pyranoanthocyanins

2.1.1. Vitisin-Type Pyranoanthocyanins

2.1.2. Hydroxyphenyl-Pyranoanthocyanins

2.1.3. Flavanyl-Pyranoanthocyanins

2.1.4. Portisins

2.2. Properties of Pyranoanthocyanins

2.2.1. Color Features

2.2.2. Reactivity

2.3. Occurrence of Pyranoanthocyanins in Foodstuffs

2.3.1. Red Wine, Port Wine, Grape Pomace and Lees

2.3.2. Fruit and Vegetable Juices/Wines

2.3.3. Fruits and Vegetables

3. NUCLEAR MAGNETIC RESONANCE (NMR) SPECTROSCOPY APPLIED TO THE STRUCTURE ELUCIDATION OF ANTHOCYANINS, PYRANOANTHOCYANINS AND OTHER DERIVATIVES

3.1. Fundamentals of NMR Spectroscopy Applied to the Analysis of Anthocyanins and Pyranoanthocyanins

3.2. Application of NMR Spectroscopy in the Structural Identification of New Anthocyanins Derivatives in the Flavylium Form, and their Different Equilibrium Forms

3.2.1. Analysis of the Flavylium Cation Form

3.2.2. Analysis of the Different Forms in Equilibrium

3.3. Application of NMR Spectroscopy in the Structural Identification of New Pyranoanthocyanin Derivatives

3.3.1. Structural Identification of New Pigments of Pyranoanthocyanins, Chemical Behavior and Structural Identification of Equilibrium Forms

3.3.2. Structural Identification of New Pigments of Pyranoanthocyanins Linked to a Flavanyl Moiety or Hydroxyphenyl (Portisins)

3.3.3. Structural Identification of Pyranoanthocyanins Dimers and Other Rare Pyranoanthocyanins

CONCLUDING REMARKS

CONFLICT OF INTEREST

ACKNOWLEDGEMENTS

REFERENCES

NMR Spectroscopy: A Powerful Tool to Investigate the Role of Tannins in the Taste of Wine and their Health Protective Effect

INTRODUCTION

INTERACTIONS BETWEEN TANNINS AND SALIVA PROTEINS

Mechanism of Binding

Stoichiometry and Strength of Binding

INTERACTIONS BETWEEN TANNINS AND BUCCAL MEMBRANE LIPIDS

PROTECTIVE EFFECT OF TANNINS ON MEMBRANE OXIDATION

CONCLUSION

CONFLICT OF INTEREST

ACKNOWLEDGEMENTS

ABBREVIATIONS

REFERENCES

Applications of Quantitative 1H NMR in Food-Related Analysis

INTRODUCTION

QUANTITATIVE NMR (QNMR)

Principles of qNMR

Characteristics of qNMR

qNMR Methods: Internal and External Standards Methods

APPLICATIONS OF QNMR

Purity Determination of Reference substances for Pesticide and Natural Toxins

Determining Purity of a Pesticide Reference substance with qNMR [24]

Purity Determination of Reference Substances for Natural Toxins [27]

Application of qNMR to Natural Organic Compounds

Quantification of Carminic Acid

Quantification of Rutin, Isoquercitrin, and Quercetin

Quantification of Steviol Glycosides

Quantification of Carthamin

Determination of Food Additives in Processed Foods by qNMR

qNMR of Sorbic Acid, Dehydroacetic Acid, and Acesulfame Potassium

Pre-treatment and Recovery Test

Comparison of Methods using Commercially Available Food Products

CONCLUSION

CONFLICT OF INTEREST

ACKNOWLEDGEMENTS

ABBREVIATIONS

REFERENCES

Cell-Free Protein Synthesis for NMR Structural Analysis of Large Proteins and Complexes

INTRODUCTION

CELL-FREE EXPRESSION SYSTEMS AND TOOLS TO OPTIMISE PRODUCTION OF TARGET PROTEINS

CELL-FREE SELECTIVE LABELING APPROACHES TO AID NMR ANALYSIS

CELL-FREE COMBINATORIAL LABELING APPROACHES TO AID NMR ANALYSIS

SEGMENTAL LABELLING STRATEGIES TO REDUCE SPECTRAL COMPLEXITY

CELL-FREE DEUTERATION TO REDUCE LINE BROADENING

CELL-FREE STEREO-ARRAY ISOTOPE LABELING (SAIL) TO ACQUIRE DISTANCE CONSTRAINTS

CELL-FREE INCORPORATION OF UNNATURAL AMINO ACIDS TO PROVIDE LONG DISTANCE CONSTRAINTS

CONCLUSION

CONFLICT OF INTEREST

ACKNOWLEDGEMENTS

REFERENCES

SUBJECT INDEX