1998Spectral Methods in Food Analysis_ Instrumentation and Applications (1998, CRC Press)-465 0824702239, 9780824702236, 9780585359571

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Spectral Methods in Food Analysis : Instrumentation and Applications Mossoba, Magdi M. CRC Press 0824702239 9780824702236 9780585359571 English Food--Analysis, Spectrum analysis. 1999 TX547.S63 1999eb 664/.07 Food--Analysis, Spectrum analysis. Page i

Spectral Methods in Food Analysis Instrumentation and Applications Edited by Magdi M. Mossoba Center for Food Safety and Applied Nutrition Food and Drug Administration Washington, D.C.

Page ii

Library of Congress Cataloging-in-Publication Data Spectral methods in food analysis : instrumentation and applications / edited by Magdi M. Mossoba. p. cm. Includes bibliographical references and index. ISBN: 0-8247-0223-9 (alk. paper) 1. Food--Analysis. 2. Spectrum analysis. I. Mossoba, Magdi M. TX547.S63 1998 664' .07dc21 98-45744 CIP This book is printed on acid-free paper. Headquarters Marcel Dekker, Inc. 270 Madison Avenue, New York, NY 10016 tel: 212-696-9000; fax: 212-685-4540 Eastern Hemisphere Distribution Marcel Dekker AG Hutgasse 4, Postfach 812, CH-4001 Basel, Switzerland tel: 44-61-261-8482; fax: 44-61-261-8896 World Wide Web http://www.dekker.com The publisher offers discounts on this book when ordered in bulk quantities. For more information, write to Special Sales/Professional Marketing at the headquarters address above. Copyright © 1999 by Marcel Dekker, Inc. All Rights Reserved. Neither this book nor any part may be reproduced or transmitted in any form or by any means, electronic or mechanical, including photocopying, microfilming, and recording, or by any information storage and retrieval system, without permission in writing from the publisher. Current printing (last digit): 10 9 8 7 6 5 4 3 2 1 PRINTED IN THE UNITED STATES OF AMERICA Page iii

Preface The field of spectroscopic research is currently experiencing dramatic technological advancement and the use of spectroscopy in novel applications is growing rapidly. These remarkable developments have created a need for an up-to-date, comprehensive reference book that looks to the future and can describe the potential of spectral techniques in food analysis. This monograph is presented not as a textbook but rather as a guide that covers introductory topics outlining basic principles and as an advanced reference source that will draw together many specialized spectral techniques, their intrumentations, and applications. A basic understanding is

presumed in this monograph of food science, chemistry, and spectroscopy; an overview of spectroscopic methods can be found in Spectroscopic Techniques for Food Analysis, R. H. Wilson, ed., VCH Publishers, New York, 1994. An array of known, as well as emerging, techniques and their applications, such as magnetic resonance imaging, are included in this book to illustrate the vast and most recent capabilities of spectral methods. Spectral techniques have found many practical applications in food science. They have been applied to the analysis of intact foods as well as the identification and quantitation of many types of individual compounds of interest, namely, food constituents, additives, and contaminants. Another aspect of this book is the elucidation of molecular structure, which is described for pure components-such as those previously isolated from a food matrix-and for individual components of complex mixtures after their separation by chromatography. Page iv

In Chapter 1, on the nuclear magnetic resonance (NMR) analysis of intact food materials, the apparently overwhelming spectroscopic issues created by food complexity are categorized and tamed. Borrowing from the rich literature on NMR of solids and liquids and magnetic resonance imaging (MRI) of biological materials, a strategic approach was assembled in this chapter for enhancing selectivity, sensitivity, and spaciotemporal resolution. Using NMR, it is now conceivable to measure hundreds of solutes in a food fluid, to image not only architecture but flexibility of architectural units, to separate molecular motions into their diffuse and flow components with microscopic resolution, to identify the botanical and geographical origins of a starch sample, and so on. Chapter 2 specifically deals with applications of NMR spectroscopy to liquids; the molecular structures of food additives and contaminants are elucidated. Many applications of electron spin resonance (ESR) spectroscopy to foods (such as postirradiation dosimetry) are described in Chapter 3. Chapters 46 cover important mass spectrometric (MS) techniques (GC/ MS and SFC/MS, LC/MS, and MALDI TOF MS), including specialized ones and their applications to food analysis. MS techniques have traditionally been the preferred analytical tools because they routinely provide high sensitivity and specificity. The following two chapters, 7 and 8, are on mid-infrared techniques, including hyphenated GC/FTIR and SFC/FTIR, attenuated total reflection (ATR) spectroscopy, and various novel applications of vibrational spectroscopy in food science. Raman spectroscopy, which is showing considerable promise in food analysis, is covered in the last chapter, 9. Near-infrared (NIR) spectroscopy has been one of the most practical and routine analytical tools for the agricultural and food industries and the first vibrational spectroscopy used for the analysis of heterogeneous food materials. For instance, NIR has been applied to the measurement of protein, oil, and moisture contents in whole-grain soybean seeds, the quality evaluation of an intact apple, and the analysis of meat composition. Comprehensive reviews of the vast field of NIR technology and its applications in the food industry have been published in separate monographs (e.g., Near-Infrared Spectrometry: Learning the Fundamentals, W. F. McClure, VCH Publishers, 1996, and Practical NIR Spectroscopy: With Applications in Food and Beverage Analysis, B. G. Osborne, T. Fean, and P. H. Hindle, Longman Publishing Group, 1993) and are beyond the scope of this book.

This book will guide graduate students and inform researchers engaged in various aspects of spectroscopy, mass spectrometry, and food chemistry and related fields such as nutrition, product development, and food technology. Page v

It is hoped that this volume will provide a stimulus for pursuing future improvements in spectral techniques and for tackling challenging applications. I am grateful to the chapter authors for their contributions. MAGDI M. MOSSOBA Page vii

Contents Preface

iii

Contributors

ix

1. Principles for Nuclear Magnetic Resonance Analysis of Intact Food Materials Thomas M. Eads

1

2. Applications of Nuclear Magnetic Resonance Spectroscopy to Food Additive and Contaminant Problems Eugene P. Mazzola

89

3. Analytical Applications of Electron Spin Resonance Spectroscopy in Food Science Ionel Rosenthal

125

4. Application to Food Analysis of Gas ChromatographyMass Spectrometry and Supercritical Fluid ChromatographyMass Spectrometry John A. G. Roach

159

5. Liquid ChromatographyMass Spectrometry for the Analysis of Contaminants in Food Steven M. Musser

251

Page viii

6. MALDI TOF MS: Food-Related Applications M. Paul Chiarelli and Jackson O. Lay, Jr.

291

7. FTIR and Hyphenated FTIR Techniques for the Analysis of Foods Gerald T. Reedy and Magdi M. Mossoba

325

8. Attenuated Total Reflectance Spectroscopy: Principles and Applications in Infrared Analysis of Food Jacqueline Sedman, Frederick R. van de Voort, and Ashraf A. Ismail

397

9. Raman Spectroscopy Yukihiro Ozaki

427

Index

463