The IFT Press series reflects the mission of the Institute of Food Technologists — to advance the science of food contributing to healthier people everywhere. Developed in partnership with Wiley Blackwell, IFT Press books serve as leading-edge handbooks for industrial application and reference and as essential texts for academic programs. Crafted through rigorous peer review and meticulous research, IFT Press publications represent the latest, most significant resources available to food scientists and related agriculture professionals worldwide. Founded in 1939, the Institute of Food Technologists is a nonprofit scientific society with 18,000 individual members working in food science, food technology, and related professions in industry, academia, and government. IFT serves as a conduit for multidisciplinary science thought leadership, championing the use of sound science across the food value chain through knowledge sharing, education, and advocacy.
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Martin Okos
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Sam Saguy
Fereidoon Shahidi
Cindy Stewart
Herbert Stone
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Yael Vodovotz
Ron Wrolstad
Contents
Cover
Series Page
Title Page
Copyright
Titles in the IFT Press series
About the Editors
List of Contributors
Acknowledgments
Section 1
Chapter 1: The Use and Importance of Design of Experiments (DOE) in Process Modelling in Food Science and Technology
Introduction
Overview of Experimental Designs
Response Surface Methodology: A Tool for Analysing and Optimizing Products and Processes
Process Optimization
Statistical Packages
Final Remarks and Perspectives
References
Chapter 2: The Use of Correlation, Association and Regression to Analyse Processes and Products
Introduction
Process Analysis
Multivariate Methods
Outlier Detection
Model Accuracy and Validation
Overfitting and Underfitting
Routine Analyses and Applications
Summary
References
Chapter 3: Case Study: Optimization of Enzyme-Aided Extraction of Polyphenols from Unripe Apples by Response Surface Methodology
Introduction
Experiments
Results and Discussion
Conclusion
References
Chapter 4: Case Study: Statistical Analysis of Eurycomanone Yield Using a Full Factorial Design
Introduction
Materials and Methods
Results and Discussion
Conclusions
References
Section 2
Chapter 5: Applications of Principal Component Analysis (PCA) in Food Science and Technology
Introduction
Goal
Definition
Effective Computation
Some Properties
Representation of the Individuals: A Geometrical Interpretation
Dimensionality Reduction
Covariance or Correlation Matrix?
Determining the Number of Components
Some Patterns in R or in S and their Interpretation
Relationship with the Orthogonal Regression
Multiple Regression on Principal Components
References
Chapter 6: Multiple Factor Analysis: Presentation of the Method Using Sensory Data
Introduction
Data
Weighting to Balance Groups of Variables
Superimposed Representation of the Wines Analysed by Each Panel
Supplementary Categorical Variables
Representing the Dimensions of Separate Analyses
Representing Groups of Variables
Constructing Confidence Ellipses Around the Wines
Conclusions and Implications for Other Applications
Appendix 6.A Software and Technical Point
References
Chapter 7: Cluster Analysis: Application in Food Science and Technology
Introduction
Hierarchical Cluster Analysis
K-Means Clustering
Fuzzy Clustering Algorithms
Conclusions
References
Chapter 8: Principal Component Regression (PCR) and Partial Least Squares Regression (PLSR)
Introduction
Theory
The PLSR Residual Issue in Process Monitoring
PLSR Score Loading Correspondence
Model Reduction Methods
Established PCR and PLSR Practices
Some Emerging Methods in Food Science
References
Chapter 9: Multiway Methods in Food Science
Introduction
Methods and Concepts
Sources for Multiway Data
Future Perspectives
References
Chapter 10: Multidimensional Scaling (MDS)
Introduction – What is MDS?
Application of MDS in Food Science
Quality of Results
MDS Procedure
Example – A Sorting Task of Wine Glass Shapes
References
Chapter 11: Application of Multivariate Statistical Methods During New Product Development – Case study: Application of Principal Component Analysis and Hierarchical Cluster Analysis on Consumer Liking Data of Orange Juices
Introduction
Case Study: Consumer Research to Guide the Development Process of a ‘More Natural’ Tasting Processed Orange Juice
Acknowledgements
References
Chapter 12: Multivariate Image Analysis
Introduction
Methods
Applications
Conclusions
Acknowledgements
References
Chapter 13: Case Study: Quality Control of Camellia Sinensis and Ilex Paraguariensis Teas Marketed in Brazil Based on Total Phenolics, Flavonoids and Free-Radical Scavenging Activity Using Chemometrics
Introduction
Material and Methods
Results and Discussion
Conclusions
References
Section 3
Chapter 14: Statistical Approaches to Develop and Validate Microbiological Analytical Methods
Introduction
Sample Preparation
Quantitative Microbiology, Enumeration
Qualitative Microbiology Methods
Limits of Detection of Qualitative Microbiology Methods
Conclusions
Acknowledgements
References
Chapter 15: Statistical Approaches to the Analysis of Microbiological Data
Introduction
Microbial Population Distributions
Experimental Design and Planning
Statistical Methods for Analysis of Data
Use of Modelling Techniques
Conclusions
Acknowledgement
References
Chapter 16: Statistical Modelling of Anthropometric Characteristics Evaluated on Nutritional Status
Introduction
Experimental Data
Principal Component Analysis (PCA)
Linear Discriminate Analysis (LDA)
Partial Least Squares PLS
Conclusions
References
Chapter 17: Effects of Paediatric Obesity: A Multivariate Analysis of Laboratory Parameters
Introduction
Materials
Methods
Results
Discussion
Conclusion
Acknowledgements
References
Chapter 18: Development and Application of Predictive Microbiology Models in Foods
Predictive Microbiology Framework
Fundamental Steps for Predictive Model Elaboration
Primary Models
Secondary Models
Other Predictive Models and Growth Factors
Probability Models
Model Validation
Tertiary Models and Data Bases
Quantitative Microbial Risk Assessment
Future Trends in Predictive Microbiology
Acknowledgements
References
Chapter 19: Statistical Approaches for the Design of Sampling Plans for Microbiological Monitoring of Foods
Introduction
Nature of Microbiological Criteria
Types of Sampling Plans Used in Microbiological Criteria in Foods
Classical Acceptance Sampling Theory
Future Trends
Concluding Remarks
Acknowledgments
References
Chapter 20: Infrared Spectroscopy Detection Coupled to Chemometrics to Characterize Foodborne Pathogens at a Subspecies Level
Introduction
Infrared Spectroscopy
Chemometrics
Infrared Radiation and Food Technology: a Brief Review
Infrared Applications in Foodborne Pathogen Analysis
Perspectives
Acknowledgments
References
Section 4
Chapter 21: Multivariate Statistical Quality Control
Introduction
An Example in Food Science
Current Application of Standard Shewhart Control Charts and Its Failure
Summary and Conclusion
References
Chapter 22: Application of Neural-Based Algorithms as Statistical Tools for Quality Control of Manufacturing Processes
Introduction
An Introduction to Machine Learning
Neural Networks for Quality Monitoring
Art NN for Unnatural Process Behaviour Detection
Conclusions
References
Chapter 23: An Integral Approach to Validation of Analytical Fingerprinting Methods in Combination with Chemometric Modelling for Food Quality Assurance
Introduction
The Fingerprinting – Classification Modelling Approach
Classical Approach to Method Validation
Validation of the Fingerprinting – Classification Approach
Summary and Concluding Remarks
References
Chapter 24: Translating Randomly Fluctuating QC Records Into the Probabilities of Future Mishaps
Introduction
Where do the Fluctuations Come From?
Analysis of Randomly Fluctuating QC Records
Concluding Remarks
Acknowledgements
References
Chapter 25: Application of Statistical Approaches for Analysing the Reliability and Maintainability of Food Production Lines: a Case Study of Mozzarella Cheese
Introduction
Collection and Analysis of Failure Data
The Mozzarella Processing Line
Operations Management of the Mozzarella Line
Trend Test and Serial Correlation Analysis for Failure Data
Reliability Analysis
Maintainability Analysis
Relationship Between TBFs and TTRs
Conclusions
References
Index
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Library of Congress Cataloging-in-Publication Data
Mathematical and statistical methods in food science and technology / edited
by Daniel Granato and Gaston Ares.
pages cm
Includes bibliographical references and index.
ISBN 978-1-118-43368-3 (cloth)
1. Food–Analysis–Stistical methods. 2. Food
contamination–Research–Statistical methods. 3. Food supply–Mathematics.
I. Granato, Daniel, editor of compilation. II. Ares, Gaston, editor of compilation.
TX541.M377 2013
664′.07–dc23
2013026555
A catalogue record for this book is available from the British Library.
Wiley also publishes its books in a variety of electronic formats. Some content that appears in print may not be available in electronic books.
Titles in the IFT Press Series
• Accelerating New Food Product Design and Development (Jacqueline H. Beckley, Elizabeth J. Topp, M. Michele Foley, J.C. Huang, and Witoon Prinyawiwatkul)
• Advances in Dairy Ingredients (Geoffrey W. Smithers and Mary Ann Augustin)
• Bioactive Proteins and Peptides as Functional Foods and Nutraceuticals (Yoshinori Mine, Eunice Li-Chan, and Bo Jiang)
• Biofilms in the Food Environment (Hans P. Blaschek, Hua H. Wang, and Meredith E. Agle)
• Calorimetry in Food Processing: Analysis and Design of Food Systems (Gönül Kaletunç)
• Coffee: Emerging Health Effects and Disease Prevention (YiFang Chu)
• Food Carbohydrate Chemistry (Ronald E. Wrolstad)
• Food Ingredients for the Global Market (Yao-Wen Huang and Claire L. Kruger)
• Food Irradiation Research and Technology, Second Edition (Christoper H. Sommers and Xuetong Fan)
• Foodborne Pathogens in the Food Processing Environment: Sources, Detection and Control (Sadhana Ravishankar, Vijay K. Juneja, and Divya Jaroni)
• High Pressure Processing of Foods (Christopher J. Doona and Florence E. Feeherry)
• Hydrocolloids in Food Processing (Thomas R. Laaman)
• Improving Import Food Safety (Wayne C. Ellefson, Lorna Zach, and Darryl Sullivan)
• Innovative Food Processing Technologies: Advances in Multiphysics Simulation (Kai Knoerzer, Pablo Juliano, Peter Roupas, and Cornelis Versteeg)
• Microbial Safety of Fresh Produce (Xuetong Fan, Brendan A. Niemira, Christopher J. Doona, Florence E. Feeherry, and Robert B. Gravani)
• Microbiology and Technology of Fermented Foods (Robert W. Hutkins)
• Multiphysics Simulation of Emerging Food Processing Technologies (Kai Knoerzer, Pablo Juliano, Peter Roupas and Cornelis Versteeg)
• Multivariate and Probabilistic Analyses of Sensory Science Problems (Jean-François Meullenet, Rui Xiong, and Christopher J. Findlay
• Nanoscience and Nanotechnology in Food Systems (Hongda Chen)
• Natural Food Flavors and Colorants (Mathew Attokaran)
• Nondestructive Testing of Food Quality (Joseph Irudayaraj and Christoph Reh)
• Nondigestible Carbohydrates and Digestive Health (Teresa M. Paeschke and William R. Aimutis)
• Nonthermal Processing Technologies for Food (Howard Q. Zhang, Gustavo V. Barbosa-Cánovas, V.M. Balasubramaniam, C. Patrick Dunne, Daniel F. Farkas, and James T.C. Yuan)
• Nutraceuticals, Glycemic Health and Type 2 Diabetes (Vijai K. Pasupuleti and James W. Anderson)
• Organic Meat Production and Processing (Steven C. Ricke, Ellen J. Van Loo, Michael G. Johnson, and Corliss A. O ' Bryan)
• Packaging for Nonthermal Processing of Food (Jung H. Han)
• Practical Ethics for Food Professionals: Ethics in Research, Education and the Workplace (J. Peter Clark and Christopher Ritson)
• Preharvest and Postharvest Food Safety: Contemporary Issues and Future Directions (Ross C. Beier, Suresh D. Pillai, and Timothy D. Phillips, Editors; Richard L. Ziprin, Associate Editor)
• Processing and Nutrition of Fats and Oils (Ernesto M. Hernandez and Afaf Kamal-Eldin)
• Processing Organic Foods for the Global Market (Gwendolyn V. Wyard, Anne Plotto, Jessica Walden, and Kathryn Schuett)
• Regulation of Functional Foods and Nutraceuticals: A Global Perspective (Clare M. Hasler)
• Resistant Starch: Sources, Applications and Health Benefits (Yong-Cheng Shi and Clodualdo Maningat)
• Sensory and Consumer Research in Food Product Design and Development (Howard R. Moskowitz, Jacqueline H. Beckley, and Anna V.A. Resurreccion)
• Sustainability in the Food Industry (Cheryl J. Baldwin)
• Thermal Processing of Foods: Control and Automation (K.P. Sandeep)
• Trait - Modified Oils in Foods (Frank T. Orthoefer and Gary R. List)
• Water Activity in Foods: Fundamentals and Applications (Gustavo V. Barbosa-Cánovas, Anthony J. Fontana Jr., Shelly J. Schmidt, and Theodore P. Labuza)
• Whey Processing, Functionality and Health Benefits (Charles I. Onwulata and Peter J. Huth)
About the Editors
Daniel Granato is a Food Engineer. He completed his Master's degree in Food Technology (Federal University of Paraná, Brazil) in 2009 and undertook his Doctoral degree in Food Science (University of São Paulo, Brazil) from 2009–2011. In his Master's dissertation, he used Response Surface Methodology (RSM) to model and optimize physico-chemical and sensory properties of a dairy-free dessert. In his PhD thesis, he used multivariate statistical techniques to assess the influence of the grape variety, origin, price, sensory properties, in vitro antioxidant capacity, instrumental colour and chemical composition of red wines from South America on in vivo antioxidant activity (using Wistar rats). He has worked at the Adolfo Lutz Institute (São Paulo, Brazil) as a Researcher in the Department of Analysis and Data Processing since 2012. He has authored more than 40 articles in international refereed journals and various presentations at Congresses. He has worked and collaborated with many research groups in the following fields: food safety, food development/optimization using RSM, chemistry, sensory analysis, chemometrics and sensometrics applied in food science and technology. He is an active reviewer of more than 30 scientific peer-reviewed journals.
Gastón Ares is a Food Engineer. He received his PhD in chemistry, focusing on sensory and consumer science, from the Universidad de la República (Uruguay) in 2009. He has worked as professor and researcher in the Food Science and Technology Department of the Chemistry Faculty of the Universidad de la República (Uruguay) since 2005. His research has been focused on the application of novel methodologies for the development and evaluation of food products and processes. He has extensive experience in the application of multivariate statistical and mathematical techniques. He has authored more than 80 articles in international refereed journals and numerous presentations in scientific meetings. He was awarded the 2007 Rose Marie Pangborn Sensory Science Scholarship, granted to PhD students in sensory science worldwide. In 2011 he won the Food Quality and Preference Award for a young researcher for his contributions to sensory and consumer science, and the Scopus Uruguay Award in Engineering and Technology. He is member of the Editorial Boards of both the Journal of Sensory Studies and the journal Food Quality and Preference, as well as associate editor of Food Research International.
Acknowledgements
Firstly, I need to thank God that I am here doing what I love: research. All people I love are part of this book and I dedicate this effort to them: Maria Aparecida Granato, Marcos Granato, Gustavo Granato, Felipe Borges, and all my dearest friends. Thank you for understanding and supporting me, no matter what.
I also would like to thank Professor Dr Anderson Sant'Ana for suggesting some of the topics covered in this book and for his support. I want to thank all authors who accepted the invitation to contribute to this book.
Daniel Granato
Thanks to all the authors for joining the project and providing high-quality contributions.
On a personal level I would like to thank my family and friends for their continuous love and support. Thanks for giving me the strength to achieve all my dreams.
Gastón Ares
List of Contributors
Azila Abdul-Aziz, Institute of Bioproduct Development, Universiti Teknologi Malaysia, Skudai Johor, Malaysia
José Manuel Amigo, Department of Food Science, Faculty of Sciences, University of Copenhagen, Frederiksberg, Denmark
Gastón Ares, Department of Food Science and Technology, Facultad de Química, Universidad de la República, Montevideo, Uruguay
Ramlan Aziz, Institute of Bioproduct Development, Universiti Teknologi Malaysia, Skudai Johor, Malaysia
Andreas Baierl, Department of Statistics and Operations Research, University of Vienna, Vienna, Austria
Débora Cristiane Bassani, Department of Biomedicine, Centro Educacional das Faculdades Metropolitanas Unidas, São Paulo, SP, Brazil
Francis Butler, School of Biosystems Engineering, Agriculture and Food Science Centre, University College Dublin, Belfield, Dublin 4, Ireland
Vasco Augusto Pilão Cadavez, CIMO Mountain Research Centre, School of Agriculture (ESA) of the Polytechnic Institute of Bragança (IPB), Bragança, Portugal
Shin-Kyo Chung, School of Food Science & Biotechnology, Kyungpook National University, Daegu, Republic of Korea
Maria G. Corradini, Department of Food Science, Rutgers, The State University of New Jersey, New Brunswick, NJ, USA
Daniel Cozzolino, School of Agriculture, Food and Wine, Faculty of Sciences, The University of Adelaide, Waite Campus, Glen Osmond, SA, Australia
Verônica Maria de Araújo Calado, Escola de Química, Universidade Federal do Rio de Janeiro, Rio de Janeiro, Brazil
Eva Derndorfer, University of Applied Sciences Burgenland, University of Salzburg, UMIT Hall in Tirol, and independent sensory consultant, Vienna, Austria
Rolf Ergon, Telemark University College, Porsgrunn, Norway
Tamas Ferenci, Physiological Control Group, Institute of Information Systems, John von Neumann Faculty of Informatics, Obuda University, Budapest, Hungary
Ursula Andrea Gonzales-Barron, CIMO Mountain Research Centre, School of Agriculture (ESA) of the Polytechnic Institute of Bragança (IPB), Bragança, Portugal
Daniel Granato, Food Science and Technology Graduate Programme, State University of Ponta Grossa, Ponta Grossa, Brazil
Aurea Grané, Statistics Department, Universidad Carlos III de Madrid, Getafe, Spain
Jos A. Hageman, Plant Sciences Group, Wageningen UR, Wageningen, The Netherlands
Noor Hafiza Harun, Institute of Bioproduct Development, Universiti Teknologi Malaysia, Skudai Johor, Malaysia
Anthony D. Hitchins, Rockville, MD, USA [Center for Food Safety and Applied Nutrition, United States Food and Drug Administration (retired)]
François Husson, Laboratoire de mathématiques appliqués, Agrocampus Ouest, Rennes Cedex, France
Agnieszka Jach, Statistics Department, Universidad Carlos III de Madrid, Getafe, Spain
Jeffrey E. Jarrett, University of Rhode Island, Kingston, RI, USA
Basil Jarvis, Department of Food and Nutrition Sciences, School of Chemistry, Food and Pharmacy, The University of Reading, Whiteknights, Reading, Berkshire, UK
Jasenka Gajdos Kljusuric, Faculty of Food Technology and Biotechnology, University of Zagreb, Zagreb, Croatia
Levente Kovacs, Physiological Control Group, Institute of Information Systems, John von Neumann Faculty of Informatics, Obuda University, Budapest, Hungary
Zelimir Kurtanjek, Faculty of Food Technology and Biotechnology, University of Zagreb, Zagreb, Croatia
João A. Lopes, REQUIMTE, Laboratório de Análises Químicas e Físico-Químicas, Departamento de Ciências Químicas, Faculdade de Farmácia, Universidade do Porto, Porto, Portugal
Mohd Faizal Muhammad, Institute of Bioproduct Development, Universiti Teknologi Malaysia, Skudai Johor, Malaysia
Sulaiman Ngadiran, Institute of Bioproduct Development, Universiti Teknologi Malaysia, Skudai Johor, Malaysia
Mark D. Normand, Department of Food Science, Chenoweth Laboratories, University of Massachusetts, Amherst, MA, USA
Domingos Sávio Nunes, Department of Chemistry, Universidade Estadual de Ponta Grossa, Ponta Grossa, PR, Brazil
Massimo Pacella, Dipartimento di Ingegneria dell'Innovazione, Università del Salento, Lecce, Italy
Jérôme Pagès, Laboratoire de mathématiques appliqués, Agrocampus Ouest, Rennes Cedex, France
Micha Peleg, Department of Food Science, Chenoweth Laboratories, University of Massachusetts, Amherst, MA, USA
Fernando Pérez-Rodríguez, Department of Food Science and Technology, University of Cordoba – International Campus of Excellence in the AgriFood Sector ceiA3, Campus Rabanales, Edificio Darwin – Córdoba, Spain
Roshanida Abdul Rahman, Faculty of Chemical Engineering, Universiti Teknologi Malaysia, Skudai Johor, Malaysia
Marco S. Reis, CIEPQPF, Department of Chemical Engineering, University of Coimbra, Coimbra, Portugal
Åsmund Rinnan, Department of Food Science, Faculty of Science, University of Copenhagen, Frederiksberg, Denmark
Ernie Surianiy Rosly, Institute of Bioproduct Development, Universiti Teknologi Malaysia, Skudai Johor, Malaysia
Quirico Semeraro, Dipartimento di Meccanica, Politecnico di Milano, Milan, Italy
Thomas Skov, Department of Food Science, Faculty of Science, University of Copenhagen, Frederiksberg, Denmark
Clara C. Sousa, REQUIMTE, Laboratório de Microbiologia, Departamento de Ciências Biológicas, Faculdade de Farmácia, Universidade do Porto, Porto, Portugal
Panagiotis H. Tsarouhas, Department of Standardization & Transportation of Products – Logistics, Alexander Technological Educational Institute of Thessaloniki, Katerini, Greece
Grishja van der Veer, RIKILT Institute of Food Safety, Wageningen UR, Wageningen, The Netherlands
Saskia M. van Ruth, Product Design and Quality Group, Wageningen UR and RIKILT Institute of Food Safety, Wageningen UR, Wageningen, The Netherlands
Paula Varela, Propiedades físicas y sensoriales de alimentos y ciencia del consumidor, Instituto de Agroquímica y Tecnología de Alimentos (CSIC), Paterna (Valencia), Spain
Wan Mastura Wan Zamri, Institute of Bioproduct Development, Universiti Teknologi Malaysia, Skudai Johor, Malaysia
Harisun Yaakob, Institute of Bioproduct Development, Universiti Teknologi Malaysia, Skudai Johor, Malaysia
Hu-Zhe Zheng, Department of Food & Nutrition Engineering, Jiangsu Food & Pharmaceutical Science College, Jiangsu Huai'an, China