Mass spectrometry has developed into a platform for the assessment of health, sensory, quality and safety aspects of food. Current nutrition research focuses on unravelling the link between acute or chronic dietary and nutrient intake and the physiological effects at cellular, tissue and whole body level. The bioavailability and bioefficacy of food constituents and dose-effect correlations are key to understanding the impact of food on defined health outcomes. To generate this information, appropriate analytical tools are required to identify and quantify minute amounts of individual compounds in highly complex matrices (such as food or biological fluids) and to monitor molecular changes in the body in a highly specific and sensitive manner. Mass spectrometry has become the method of choice for such work and now has broad applications throughout all areas of nutrition research. This book focuses the contribution of mass spectrometry to the advancement of nutrition research. Aimed at students, teachers and researchers, it provides a link between nutrition and analytical biochemistry. It guides nutritionists to the appropriate techniques for their work and introduces analytical biochemists to new fields of application in nutrition and health. The first part of the book is dedicated to the assessment of macro- and micro-nutrient status with a view to making dietary recommendations for the treatment of diet-related diseases. The second part shows how mass spectrometry has changed nutrition research in fields like energy metabolism, body composition, protein turnover, immune modulation and cardiovascular health.
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Dr. Laurent B. Fay is currently the Head of the Nutrition and Health Department at the NestlÚ Research Center in Switzerland. After a Master in Nutrition in 1981 he completed his PhD in Biochemistry at Dijon University in 1985, and joined NestlÚ in 1989 after three years in the pharmaceutical industry. Dr. FayÆs current research aims at developing nutritional approaches that promote health and wellness throughout life. His research team focuses on providing practical food and beverage solutions for optimal physical and cognitive performance, growth and development, protection, and weight management. Composed of nutritionists and biologists from diverse fields including microbiology, molecular biology, immunology, allergy, gut physiology and cognitive science, they apply the scientific advances of today to meet the nutrition needs of tomorrow. Dr. Fay is the author of more than 160 peer-reviewed publications. He is honorary member of the Swiss Group for Mass Spectrometry. Prof. Dr. Martin Kussmann leads the Functional Genomics Group at the NestlÚ Research Centre and is Honorary Professor at Aarhus University, Denmark. His team at NestlÚ is responsible for Nutrigenomics and Nutrigenetics. They develop and integrate gene and protein expression profiling with bioinformatics and computational molecular science. Major application fields are immunology, diabesity, and physical performance. Being educated as an analytical biochemist, Prof. Kussmann has acquired research experience in the pharmaceutical, biotechnological and nutritional industry. Prof. Kussmann holds a M.Sc. and a Ph.D. in Chemistry, obtained at the Universities of Aachen and Konstanz, Germany, and at the University of California, San Francisco, USA. During his doctorate and post-doctorate, he has specialised in analytical biochemistry, proteomics and genomics.
Mass spectrometry has developed into a platform for the assessment of health, sensory, quality and safety aspects of food. Current nutrition research focuses on unravelling the link between acute or chronic dietary and nutrient intake and the physiological effects at cellular, tissue and whole body level. The bioavailability and bioefficacy of food constituents and dose-effect correlations are key to understanding the impact of food on defined health outcomes. To generate this information, appropriate analytical tools are required to identify and quantify minute amounts of individual compounds in highly complex matrices (such as food or biological fluids) and to monitor molecular changes in the body in a highly specific and sensitive manner. Mass spectrometry has become the method of choice for such work and now has broad applications throughout all areas of nutrition research. This book focuses the contribution of mass spectrometry to the advancement of nutrition research. Aimed and students, teachers and researchers, it provides a link between nutrition and analytical biochemistry. It guides nutritionists to the appropriate techniques for their work and introduces analytical biochemists to new fields of application in nutrition and health. The first part of the book is dedicated to the assessment of macro- and micro-nutrient status with a view to making dietary recommendations for the treatment of diet-related diseases. The second part shows how mass spectrometry has changed nutrition research in fields like energy metabolism, body composition, protein turnover, immune modulation and cardiovascular health.
Abbreviations, xv,
About the Editors, xviii,
SECTION 1: MASS SPECTROMETRY TECHNOLOGIES,
Chapter 1 Mass Spectrometry Technologies Laurent B. Fay and Martin Kussmann, 3,
SECTION 2: MASS SPECTROMETRY ANALYSIS OF FOOD INGREDIENTS,
Chapter 2 Mass Spectrometry for Food Analysis: The Example of Fat Soluble Vitamins A and K Gregory G. Dolnikowski, 51,
Chapter 3 Mass Spectrometry for the Analysis of Milk Oligosaccharides Daniel Kolarich and Nicolle H. Packer, 59,
Chapter 4 Mass Spectrometry in Protein, Peptide and Amino Acid Analysis Claudio Corradini, Lisa Elviri and Antonella Cavazza, 78,
Chapter 5 Lipidomics and Metabolomics of Dietary Lipid Peroxidation Arnis Kuksis, 102,
Chapter 6 Mass Spectrometry in Phytonutrient Research Jean-Luc Wolfender, Aude Violette and Laurent B. Fay, 163,
SECTION 3: ADDRESSING THE HEALTH ASPECTS OF NUTRITION,
Chapter 7 Addressing the Health Beneficial Aspects of Nutrition — The Example of the Obesity Epidemic Maria Lankinen and Matej Oresic, 237,
Chapter 8 Mass Spectrometry, Diet and Cardiovascular Disease: What will They Mean for Food? J. Bruce German, 244,
Chapter 9 Nutrition and Immunity Martin Kussmann, 268,
Chapter 10 Mass spectrometry, Nutrition and Protein Turnover Michael Affolter, 310,
SECTION 4: CONCLUSION,
Chapter 11 Conclusion Laurent B. Fay and Martin Kussmann, 329,
Subject Index, 332,
Mass Spectrometry Technologies
LAURENT B. FAY AND MARTIN KUSSMANN
1.1 Introduction
Mass spectrometers are molecular balances. They can determine the size, quantity and structure of inorganic and organic compounds. Traditionally, these measures had been limited to volatile organic compounds, but for 20 years mass spectrometers have generated such information also on large, fragile and non-volatile molecules such as vitamins, peptides, proteins, oligo- and poly-saccharides, and even DNA and RNA.
Mass spectrometry (MS) has become an essential analytical tool in modern life sciences, not only thanks to its sensitivity but also to the large amount of information delivered by this technique from a structural and a quantitative viewpoint. Typically, mass spectrometers enable structure elucidation of organic molecules via the determination of molecular weight and the study of fragmentation patterns. Moreover, and increasingly importantly, such instruments can quantify these organic molecules. Additionally, in scientific areas other than the life sciences (geochemistry, ecology, food chemistry, forensic and sport science), mass spectrometry is widely deployed to precisely determine stable isotope ratios of exogenous or endogenous molecules. 13C labelled compounds are mainly used in mass spectrometry as internal standards or to generate metabolite information. Whereas hydrogen/deuterium exchange experiments are used to distinguish between isomeric structures of analytes.
In 1910, J. J. Thomson was the first to build a so-called "parabola spectrograph" meant for the determination of mass-to-charge (m/z) ratios of ions. Following this pioneering work, A. J. Dempster and F. W. Aston developed the first mass spectrometric instrument. Dempster constructed a magnetic analyzer that focused ions into an electrical collector, while Aston utilized both electrostatic and magnetic fields to focus ions onto a photographic plate. From the late 1930s to the early 1950s, A. Nier in collaboration with J. H. E. Mattauch, R. F. K. Herzog and K. T. Bainbridge (amongst others) incorporated many developments in vacuum technologies and electronics for power supplies and ion detection. Their work significantly improved magnetic focusing instruments leading to better performance, convenience and lower costs. Double-focusing machines, attaining greater precision by adding an electrostatic analyzer, were also greatly refined. These instruments were built for the purpose of accurately determining the exact atomic weights of the elements and their isotopes; they made use of Faraday cups to convert particle impacts into an electric current for signal recording. Tremendous progress has been made since this pioneering work in, for example, ion generation, ion transmission, ion detection, signal amplification and, last but not least, computing technologies to control the instrument and record the data.
Since the 1980s, mass spectrometry has become one of the most popular analytical platforms for the identification and/or quantification of organic molecules in complex samples such as body fluids, tissues and food matrices. During less than two decades, we have witnessed the transformation of mass spectrometers from multi-purpose research grade instruments operated only by instrumental experts into user-friendly computer-embedded solutions dedicated to specific measurements such as nutrient/metabolite and peptide/protein identification and quantification. Even the detailed analysis of genetic and genomic material is now being addressed by mass spectrometry. A Google® search with the term "mass spectrometry" results in more than six million entries. In 2007, the mass spectrometry market was estimated at $2 billion with an expected 8% annual growth rate through 2010 (www.allbusiness.com/ instrument-business-outlook/1179913-1.html).
The performance of mass spectrometers in combination with ionization techniques can be defined by several intrinsic parameters, i.e. mass resolving power (or resolution), mass accuracy, sensitivity and linear dynamic range (Figure 1.1).
The mass resolving power or resolution is defined as the ratio m/Δm, with the mass (m) at the apex of the mass signal and Δm the width at x% height (typically 50%) of this mass signal, designated by the full width at half height maximum (FWHM). The mass accuracy is described by the ratio between the mass error (difference between measured and real mass) and the theoretical mass, often represented as parts per million (ppm), e.g. a mass accuracy of 100 ppm corresponds to a theoretical mass of 1000 with a measured mass at 999.9. The sensitivity is described by the ratio between the intensity level of the mass signal and the intensity level of the noise. The linear dynamic range is described as the range of linearity of the ion signal measured as a function of the analyte concentration.
The enormously broad scope of nutritional research (e.g. organic and inorganic nature of the analytes, their volatility or thermal instability, the wide polarity range from water soluble compounds to lipophilic molecules), and the need to measure isotopic abundance to investigate the metabolic fate of nutrients require the deployment of virtually all the mass spectrometric instrumentations available today.
There are many books describing in great detail various mass spectrometric technologies either from a purely instrumental perspective or from a more applicative viewpoint. Below we briefly describe each instrumentation starting with the ionization sources, and then describe the various mass analyzers and ion detection devices commonly available on the market. The hyphenation with different chromatographic systems is covered at the end of the chapter.
1.2 Ionization Sources
Any species — be it an organic molecule or an inorganic element — to be analyzed in...
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