CONTENTS

PREFACE

List of Contributors

Section I: Molecular Identification of Natural & Synthetic Compounds

Application of NMR Spectroscopy for Structural Characterization of Bioactive Peptides Derived from Food Protein

1. INTRODUCTION

1.1. Bioactive Peptides

1.2. A Review of Techniques Available for Structural Studies of Bioactive Peptides

2. PRINCIPLES OF NMR SPECTROSCOPY

2.1. General Principles of NMR Spectroscopy

2.2. Interaction of Nuclear Spins with Static Magnetic Field

2.3. The Phenomenon of Nuclear Magnetic Resonance

2.4. Sensitivity and the Boltzmann Equation

2.5. Chemical Shift and Scalar Spin-Spin Couplings

2.6. Rotating Frame of Reference in NMR

2.7. Radiofrequency (RF) Pulses and Vector Model

2.8. Pulse Sequences and the Pulsed Techniques Employed in Modern NMR Spectroscopy

2.8.1. Representation of a Single Pulse Sequence

2.8.2. Representation of a Two Pulse Spin-Echo Sequence

3. APPLICATION OF NMR SPECTROSCOPY TO STUDY THE STRUCTURES OF BIOACTIVE PEPTIDES

3.1. Choice of NMR Techniques for Structural Characterization of Bioactive Peptides

3.2. One Dimensional Proton (1H) NMR Experiments

3.3. 2D-NMR methods to Assign Backbone and Side Chain Proton Resonances in Bioactive Peptides

3.4. Chemical Shift Index (CSI] Based Method for Secondary Structure Determination of Bioactive Peptides

3.5. Computational Methods for Obtaining NMR Based Structures for Peptides and Proteins

3.5.1. Obtaining Distance Restraints from 2D-NOESY

3.5.2. Obtaining Information on the Dihedral Angels

3.5.3. Structure Calculation Procedures

4. STRUCTURE-ACTIVITY RELATIONSHIP AND MECHANISM OF ACTION OF BIOACTIVE PEPTIDES

4.1. Antimicrobial Peptides

4.1.1. Mechanisms of Action of AMPs

4.1.2. Structure-Activity Relationship of AMPs

4.2. ACE-Inhibitory and Antihypertensive Peptides

4.3. Antioxidative Peptides

4.4. Other Functional Peptides

CONCLUSION

CONFLICT OF INTEREST

ACKNOWLEDGEMENTS

REFERENCES

Determination of GABA, Glutamate and Choline in the Auditory Pathway of Animals with Tinnitus, Using High Resolution Proton Magnetic Resonance Spectroscopy (1H-MRS)

TINNITUS

MAGNETIC RESONANCE SPECTROSCOPY (MRS)

AN EXPERIMENTAL HYPOTHESIS

TINNITUS ASSESSSMENT IN ANIMALS

CONSIDERATIONS WHEN USING VOLUME-LOCALIZED 1H-MRS IN HIGH MAGNETIC FIELDS†

CALIBRATION, PREPARATION AND DATA ACQUISITION

REGIONAL LEVELS OF GABA, GLU, AND CHO

SUMMARY AND DISCUSSION

NOTES

CONFLICT OF INTEREST

ACKNOWLEDGEMENTS

REFERENCES

NMR Spectroscopy for the Characterization of Polymers

INTRODUCTION

‘NMR’ SPECTROSCOPY FOR POLYMERS

POLYMERS AND POLYMER STRUCTURES

CHARACTERIZATION OF MONOMERS AND POLYMERS

Determination of Monomer Conversion Using NMR

NMR Analysis of a Vinyl Monomer and its Polymer

NMR Analysis of a Synthesized Difunctional Silane Monomer

DETERMINATION OF POLYMER TACTICITY

Determination of Tacticity of Polyacrylonitrile

NMR Analysis of Different Tactic Structures of Polypropylene

CHARACTERIZATION OF GEOMETRICAL ISOMERISM

ELUCIDATION OF COPOLYMER STRUCTURES

Determination of Copolymer Composition

Determination of Composition of SAN Copolymer

Determination of Composition of Copolymers of R-NPEMAM and HEMA

Determination of Monomer Reactivity Ratios

Determination of Monomer Sequence Distribution in a Copolymer Chain

ELUCIDATION OF POLYMER CHAIN BRANCHING

DETERMINATION OF MOLECULAR WEIGHTS OF POLYMERS

Determination of of Poly(ethylene terephphalate)

Determination of of Aromatic Poly(ether sulphone)

Determination of of a Block Copolymer

DETERMINATION OF AND MOLECULAR WEIGHT DISTRI-BUTION (MWD)

DETERMINATION OF CRYSTALLINITY IN POLYMERS

CHARACTERIZATION OF CARBON NANOMATERIALS CONTAINING POLYMERS

NMR Characterization of Fullerene (C60) Containing Polymers

NMR Characterization of Fullerene Containing Vinyl Polymers

NMR Characterization of Functionalized Carbon Nanotubes (CNTs)

CONCLUSION

CONFLICT OF INTEREST

ACKNOWLEDGEMENTS

REFERENCES

Structure and Intramolecular Dynamics of Biologically Active Compounds: Analysis of NMR Spectra Transformed by Spin Labels

INTRODUCTION

NMR IN PARAMAGNETC SYSTEMS

METHOD OF PARAMAGNETC ADDITIVES

NMR OF HETEROSPIN COMPLEXES

METAL IONIC LIQUIDS

VINYL DERIVATIVES OF IMIDAZOLE AND PYRAZOLE

NMR SPECTRA OF 1-VINYLIMIDAZOLE

NMR SPECTRA OF 1-VINYLPYRAZOLE

CONCLUSION

CONFLICT OF INTEREST

ACKNOWLEDGEMENTS

REFERENCES

Section II: Medical Diagnosis

NMR Spectroscopy in Brain Gliomas: Technique, Diagnosis, Grading and Follow-up after Therapy

INTRODUCTION

TECHNIQUE

Single-Voxel Spectroscopy (SVS)

Multivoxel Magnetic Resonance Spectroscopy Imaging (MRSI)

Choosing the Right TE

Neuronal Metabolites

Regional Variations

Differences with Nuclear Medicine

DIAGNOSIS

GRADING

FOLLOW-UP

Role in the Identification of Radionecrosis

Role in the Identification Tumor Progression and Response

CONCLUSION

CONFLICT OF INTEREST

ACKNOWLEDGEMENTS

REFERENCES

Section III: Food Sciences

Solid State NMR of Food and Biopolymers

1. BASIC CONCEPTS

1.1. Fundamentals

2. SOLID STATE 13C NMR OF WHOLE FOODS

3. SOLID STATE 13C NMR OF WHEAT PROTEINS

4. SOLID STATE 13C NMR OF FAT AND FATTY ACIDS

5. SOLID STATE 13C NMR OF FOOD HYDROCOLLOIDS

6. STARCH SOLID STATE NMR

6.1. Role of Starches in Food

6.2. Solid State NMR of Starch

7. FINAL CONSIDERATIONS

CONFLICT OF INTEREST

ACKNOWLEDGEMENTS

REFERENCES

SUBJECT INDEX