Infodoc : Sciences, Techniques et Culture

1 Kinetic View on Food Quality
1.1 Introduction
1.2 Food Quality
1.3 Foods as Complex Reaction Media
1.4 Outline of the Book
Bibliography and Suggested Further Reading
Section 1 The Basics
2 Models and Modeling
2.1 Introduction
2.2 Models and Modeling
2.3 Concluding Remarks
Bibliography and Suggested Further Reading
3 Chemical Thermodynamics in a Nutshell
3.1 Introduction
3.2 Quantification of[...]

1 Kinetic View on Food Quality
1.1 Introduction
1.2 Food Quality
1.3 Foods as Complex Reaction Media
1.4 Outline of the Book
Bibliography and Suggested Further Reading
Section 1 The Basics
2 Models and Modeling
2.1 Introduction
2.2 Models and Modeling
2.3 Concluding Remarks
Bibliography and Suggested Further Reading
3 Chemical Thermodynamics in a Nutshell
3.1 Introduction
3.2 Quantification of Reactants and Products
3.3 Thermodynamics of Reactions
3.3.1 Heat and Work
3.3.2 Energy
3.3.3 Enthalpy
3.3.4 Entropy
3.3.5 Free Energy
3.3.6 Chemical Potential
3.3.7 Ideal Solutions
3.3.8 Ideal Dilute Solutions
3.3.9 Real, Nonideal Solutions: Activity Concept
3.3.10 Standard States
3.3.11 Solvent Activity and Water Activity
3.3.12 Chemical Potential and Equilibrium
3.3.13 Equilibrium Constants
3.3.14 Thermodynamic Potentials and Conjugate Variables
3.3.15 Nonequilibrium or Irreversible Thermodynamics
3.4 Concluding Remarks
Appendix 3.1 Datasets Used for Examples in This Chapter
Bibliography and Suggested Further Reading
4 Chemical Reaction Kinetics
4.1 Introduction
4.2 Foods as Chemical Reactors?
4.3 Rate and Extent of Reactions in Closed Systems
4.3.1 Kinetics of Elementary Reactions
4.3.2 Kinetics of Experimentally Observed Reactions
4.3.3 Steady-State Approximation and Rate-Controlling Steps
4.4 Catalysis
4.4.1 General Catalysis
4.4.2 Acid -Base Catalysis
4.5 Kinetics of Radical Reactions
4.6 Kinetics of Photochemical Reactions
4.7 Diffusion-Limited Reactions in Aqueous Solutions
4.8 Kinetics in Open Systems
4.9 Concluding Remarks
Appendix 4.1 Datasets Used for Examples in This Chapter
Bibliography and Suggested Further Reading
5 Temperature and Pressure Effects
5.1 Introduction
5.2 van't Hoff Equation
5.3 Transition State Theory
5.4 Arrhenius' Law
5.5 Empirical Relations to Describe Temperature Dependence
5.6 Activation Energy and Catalysis
5.7 Parameters Used in Food Science
5.8 Enthalpy/Entropy Compensation
5.9 Variable Temperature Kinetics
5.10 Effect of Pressure
5.11 Concluding Remarks
Appendix 5.1 Datasets Used for Examples in This Chapter
Bibliography and Suggested Further Reading
6 Charge Effects
6.1 Introduction
6.2 Models for Ion Activities
6.2.1 Debye-Hückel Type Models
6.2.2 Mean Spherical Approximation Theory
6.2.3 Pitzer Equations
6.3 Ion Pairing Models
6.3.1 Mass Action Law
6.3.2 Pytkowicz Model
6.3.3 Binding MSA Model
6.4 Kinetics of Reactions between Ions
6.4.1 Primary Salt Effect
6.4.2 Secondary Salt Effect
6.4.3 Examples Showing the Primary Salt Effect on Kinetics
6.5 Concluding Remarks
Appendix 6.1 Datasets Used for Examples in This Chapter
Bibliography and Suggested Further Reading
7 Kinetics and Statistics
7.1 Introduction
7.2 Some Background on Statistical Approaches
7.2.1 Classical Sampling Theory
7.2.2 Maximum Likelihood
7.2.3 Bayesian Statistics
7.2.4 Resampling Methods
7.3 Experimental Design: Statement of the Problem
7.4 On Errors and Residuals
7.4.1 Deterministic and Stochastic Models
7.4.2 Least Squares Regression
7.4.3 Sums of Squares and ANOVA
7.4.4 Error Structure of Data: A Variance Model
7.5 Linear and Nonlinear Models
7.6 A Closer Look at Assumptions for Parameter Estimation
7.7 Normal Probability Plots and Lag Plots
7.8 Goodness of Fit and Model Discrimination
7.9 Precision of Regression Unes and Parameter Estimates
7.9.1 Jackknife Method
7.9.2 Bootstrap Method
7.9.3 Grid Search Method
7.9.4 Monte Carlo Method
7.9.5 Bayesian Analysis Using Markov Chain Monte Carlo Methods
7.10 Variability and Uncertainty
7.11 Transformation of Parameters: Reparameterization
7.12 Propagation of Errors
7.13 Sensitivity Analysis
7.14 Experimental Design
7.14.1 Systematic and Random Errors: Accuracy and Precision
7.14.2 Experimental Design for Kinetic Models
7.15 Concluding Remarks
Appendix 7.1 Datasets Used for Examples in This Chapter
Bibliography and Suggested Further Reading
SECTION II Application of the Basics to Chemical, Biochemical, Physical, and Microbial Changes in the Food Matrix
8 Multiresponse Kinetic Modeling of Chemical Reactions
8.1 Introduction
8.2 What Is Multiresponse Modeling?
8.3 Determinant Criterion
8.4 Model Discrimination and Goodness of Fit for Multiresponse Models
8.5 Examples of Multiresponse Modeling of Reactions in Foods
8.5.1 Heat-Induced Acid Hydrolysis of Sucrose
8.5.2 Degradation of Chlorophyll
8.5.3 Aspartame Degradation
8.5.4 Maillard Reaction
8.6 Concluding Remarks
Appendix 8.1 Datasets Used for Examples in This Chapter
Bibliography and Suggested Further Reading
9 Enzyme Kinetics
9.1 Introduction
9.2 Michaelis- Menten Kinetics
9.2.1 Linearized Plots
9.3 Enzyme Inhibition
9.4 Progress Curves
9.5 Kinetics of Two-Substrate Reactions
9.6 Other Types of Enzyme Kinetics
9.7 Temperature Effects
9.8 pH Effects
9.9 Experimental Design for Enzyme Kinetics
9.10 Enzyme Kinetics in Foods
9.11 Concluding Remarks
Appendix 9.1 Datasets Used for Examples in This Chapter
Bibliography and Suggested Further Reading
10 Kinetics of Protein and Enzyme Denaturation
10.1 Introduction
10.2 Protein Stability
10.3 General Kinetic Schemes Describing Enzyme Inactivation
10.4 Food Matrix Effects
10.5 Concluding Remarks
Appendix 10.1 Datasets Used for Examples in This Chapter
Bibliography and Suggested Further Reading
Kinetics of Physical Changes
11.1 Introduction
11.2 Kinetics of Diffusion
11.2.1 Fick's Laws
11.2.2 Maxwell-Stefan Approach
11.3 Kinetics of Changes in Dispersity
11.3.1 Kinetics of Aggregation of Colloids
11.3.2 Kinetics of Creaming or Settling
11.3.3 Kinetics of Coalescence
11.3.4 Kinetics of Ostwald Ripening
11.3.5 Kinetics of Gelation of Particles
11.3.6 Kinetics of Crystallization
11.4 Kinetics of Texture Change
11.5 Partitioning Phenomena
11.5.1 Partition Coefficients
11.5.2 Partitioning of Volatiles
11.5.3 Partitioning of Weak Acids
11.6 Concluding Remarks
Appendix 11.1 Datasets Used for Examples in This Chapter
Bibliography and Suggested Further Reading
12 Kinetics of Microbial Growth
12.1 Introduction
12.2 Primary Growth Models
12.2.1 DifferentiaI Equations
12.2.2 Algebraic Equations
12.3 Secondary Models
12.4 Nonisothermal Growth Modeling
12.5 Bayesian Modeling
12.6 Experimental Design
12.7 Effects of the Food Matrix
12.8 Concluding Remarks
Appendix 12.1 Datasets Used for Examples in This Chapter
Bibliography and Suggested Further Reading
13 Kinetics of Inactivation of Microorganisms
13.1 Introduction
13.2 Kinetics of Inactivation of Vegetative Cells
13.3 Kinetics of Inactivation of Spores
13.4 Temperature Dependence of Microbial Inactivation
13.5 Food Matrix Effects
13.6 Concluding Remarks
Appendix 13.1 Datasets Used for Examples in This Chapter
Bibliography and Suggested Further Reading
14 Modeling the Food Matrix
14.1 Introduction
14.2 Specific Effects in Aqueous Solutions
14.2.1 Water Activity and the Effect of Cosolutes
14.2.2 Water Activity and Food Stability
14.2.3 Ionic and Nonionic Solute Interactions
14.2.4 Significance of pH in Food
14.3 Transport Phenomena and Molecular Mobility in the Food Matrix
14.4 Micellar Effects
14.5 Effect of Molecular Crowding in the Food Matrix
14.6 Concluding Remarks
Appendix 14.1 Datasets Used for Examples in This Chapter
Bibliography and Suggested Further Reading
15 Retrospective and Outlook
15.1 Introduction
15.2 Shelf Life Modeling as an Integrative Approach
15.2.1 Shelf Life from the Product Point of View
15.2.2 Shelf Life from the Consumer Point of View
15.3 Some Developments
15.4 Concluding Remarks
Appendix 15.1 Datasets Used for Examples in This Chapter
Bibliography and Suggested Further Reading
Appendix A Some Calculus Rules
Appendix B Ways to Express Amounts of Reactants and Products
Appendix C Interconversion of Activity Coefficients Based on Mole Fractions, Molalities, and Molarities
Appendix D DifferentiaI and Integrated Rate Equations for Kinetic Models of Complex Reactions
Appendix E McMillan-Mayer and Lewis-Randall Framework and Equations for the Mean Spherical Approximation Theory
Appendix F Probability Laws and Probability Models
Appendix G Use of Matrix Notation in Model Representation and Regression Analysis
Appendix H Some Thermodynamic Activity Coefficient Models
Appendix l Reliability Engineering and the Weibull Model
List of Symbols and Units
Index