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El. knyga: Kinetic Modeling of Reactions In Foods

(Wageningen University, The Netherlands)
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The level of quality that food maintains as it travels down the production-to-consumption path is largely determined by the chemical, biochemical, physical, and microbiological changes that take place during its processing and storage. Authored by an internationally respected food quality expert, Kinetic Modeling of Reactions in Foods demonstrates how to effectively capture these changes in an integrative fashion using mathematical models. Thus, kinetic modeling of food changes creates the possibility to control and predict food quality from a technological point of view.

Illustrating how kinetic modeling can predict and control food quality from farm to fork, this authoritative resource:











Applies kinetic models using general chemical, physical, and biochemical principles





Introduces Bayesian statistics in kinetic modeling, virtually unchartered territory in the food science field





Integrates food science, kinetics, and statistics to predict and control food quality attributes using computer models





Uses real-world examples rather than hypothetical data to illustrate concepts



This essential reference is an indispensable guide to understanding all aspects of kinetic food modeling. Unlike many other kinetic volumes available, this book opens the door to the many untapped research opportunities in the food science realm where mathematical modeling can be applied.

Recenzijos

"The book is a spectacular accomplishment and a result of monumental work. Well done and timely. Congratulations to the author. It is wonderful to have a comprehensive collection of kinetic models, lucid analyses and data in both tabulated and graphical forms, all in one volume!"Micha Peleg, Ph.D., University of Massachusetts, Amherst, USA

" a welcome addition to the food chemistry and food science literature. the author presents the material in a thoughtful and engaging manner. Importantly, the book is quite well-referenced, making relatively easy to find supplemental material when desired."Journal of Chemical Education "The book is a spectacular accomplishment and a result of monumental work. Well done and timely. Congratulations to the author. It is wonderful to have a comprehensive collection of kinetic models, lucid analyses and data in both tabulated and graphical forms, all in one volume!"Micha Peleg, Ph.D., University of Massachusetts, Amherst, USA

" a welcome addition to the food chemistry and food science literature. the author presents the material in a thoughtful and engaging manner. Importantly, the book is quite well-referenced, making relatively easy to find supplemental material when desired." Journal of Chemical Education

Preface xiii
Author xvii
Kinetic View on Food Quality
1(1)
Introduction
1(1)
Food Quality
1(5)
Foods as Complex Reaction Media
6(1)
Outline of the Book
7
Bibliography and Suggested Further Reading
8
SECTION I The Basics
Models and Modeling
1(1)
Introduction
1(1)
Models and Modeling
1(11)
Concluding Remarks
12
Bibliography and Suggested Further Reading
12
Chemical Thermodynamics in a Nutshell
1(1)
Introduction
1(1)
Quantification of Reactants and Products
1(5)
Thermodynamics of Reactions
6(46)
Heat and Work
6(2)
Energy
8(1)
Enthalpy
9(2)
Entropy
11(4)
Free Energy
15(3)
Chemical Potential
18(2)
Ideal Solutions
20(1)
Ideal Dilute Solutions
21(1)
Real, Nonideal Solutions: Activity Concept
22(5)
Standard States
27(2)
Solvent Activity and Water Activity
29(4)
Chemical Potential and Equilibrium
33(3)
Equilibrium Constants
36(6)
Thermodynamic Potentials and Conjugate Variables
42(6)
Nonequilibrium or Irreversible Thermodynamics
48(4)
Concluding Remarks
52
Appendix 3.1 Datasets Used for Examples in This
Chapter
53(4)
Bibliography and Suggested Further Reading
57
Chemical Reaction Kinetics
1(1)
Introduction
1(1)
Foods as Chemical Reactors?
2(2)
Rate and Extent of Reactions in Closed Systems
4(29)
Kinetics of Elementary Reactions
9(7)
Kinetics of Experimentally Observed Reactions
16(12)
Steady-State Approximation and Rate-Controlling Steps
28(5)
Catalysis
33(4)
General Catalysis
33(1)
Acid-Base Catalysis
34(3)
Kinetics of Radical Reactions
37(4)
Kinetics of Photochemical Reactions
41(1)
Diffusion-Limited Reactions in Aqueous Solutions
42(4)
Kinetics in Open Systems
46(7)
Concluding Remarks
53
Appendix 4.1 Datasets Used for Examples in This
Chapter
54(7)
Bibliography and Suggested Further Reading
61
Temperature and Pressure Effects
1(1)
Introduction
1(1)
van't Hoff Equation
1(2)
Transition State Theory
3(5)
Arrhenius' Law
8(7)
Empirical Relations to Describe Temperature Dependence
15(1)
Activation Energy and Catalysis
16(2)
Parameters Used in Food Science
18(3)
Enthalpy/Entropy Compensation
21(2)
Variable Temperature Kinetics
23(9)
Effect of Pressure
32(4)
Concluding Remarks
36
Appendix 5.1 Datasets Used for Examples in This
Chapter
36(5)
Bibliography and Suggested Further Reading
41
Charge Effects
1(1)
Introduction
1(1)
Models for Ion Activities
1(11)
Debye-Huckel Type Models
4(4)
Mean Spherical Approximation Theory
8(3)
Pitzer Equations
11(1)
Ion Pairing Models
12(13)
Mass Action Law
15(3)
Pytkowicz Model
18(5)
Binding MSA Model
23(2)
Kinetics of Reactions between Ions
25(15)
Primary Salt Effect
25(4)
Secondary Salt Effect
29(2)
Examples Showing the Primary Salt Effect on Kinetics
31(9)
Concluding Remarks
40
Appendix 6.1 Datasets Used for Examples in This
Chapter
40(6)
Bibliography and Suggested Further Reading
46
Kinetics and Statistics
1(1)
Introduction
1(1)
Some Background on Statistical Approaches
2(7)
Classical Sampling Theory
3(1)
Maximum Likelihood
3(1)
Bayesian Statistics
4(3)
Resampling Methods
7(2)
Experimental Design: Statement of the Problem
9(4)
On Errors and Residuals
13(7)
Deterministic and Stochastic Models
13(1)
Least Squares Regression
14(1)
Sums of Squares and ANOVA
15(1)
Error Structure of Data: A Variance Model
16(4)
Linear and Nonlinear Models
20(1)
A Closer Look at Assumptions for Parameter Estimation
21(4)
Normal Probability Plots and Lag Plots
25(4)
Goodness of Fit and Model Discrimination
29(11)
Precision of Regression Lines and Parameter Estimates
40(24)
Jackknife Method
50(1)
Bootstrap Method
50(3)
Grid Search Method
53(4)
Monte Carlo Method
57(1)
Bayesian Analysis Using Markov Chain Monte Carlo Methods
57(7)
Variability and Uncertainty
64(4)
Transformation of Parameters: Reparameterization
68(4)
Propagation of Errors
72(2)
Sensitivity Analysis
74(2)
Experimental Design
76(11)
Systematic and Random Errors: Accuracy and Precision
77(1)
Experimental Design for Kinetic Models
78(9)
Concluding Remarks
87
Appendix 7.1 Datasets Used for Examples in This
Chapter
87(7)
Bibliography and Suggested Further Reading
94
SECTION II Application of the Basics to Chemical, Biochemical, Physical, and Microbial Changes in the Food Matrix
Multiresponse Kinetic Modeling of Chemical Reactions
1(1)
Introduction
1(1)
What Is Multiresponse Modeling?
1(2)
Determinant Criterion
3(2)
Model Discrimination and Goodness of Fit for Multiresponse Models
5(2)
Examples of Multiresponse Modeling of Reactions in Foods
7(19)
Heat-Induced Acid Hydrolysis of Sucrose
7(1)
Degradation of Chlorophyll
8(8)
Aspartame Degradation
16(3)
Maillard Reaction
19(7)
Concluding Remarks
26
Appendix 8.1 Datasets Used for Examples in This
Chapter
27(2)
Bibliography and Suggested Further Reading
29
Enzyme Kinetics
1(1)
Introduction
1(3)
Michaelis-Menten Kinetics
4(12)
Linearized Plots
13(3)
Enzyme Inhibition
16(4)
Progress Curves
20(9)
Kinetics of Two-Substrate Reactions
29(3)
Other Types of Enzyme Kinetics
32(4)
Temperature Effects
36(3)
pH Effects
39(3)
Experimental Design for Enzyme Kinetics
42(1)
Enzyme Kinetics in Foods
43(4)
Concluding Remarks
47
Appendix 9.1 Datasets Used for Examples in This
Chapter
48(10)
Bibliography and Suggested Further Reading
58
Kinetics of Protein and Enzyme Denaturation
1(1)
Introduction
1(1)
Protein Stability
1(12)
General Kinetic Schemes Describing Enzyme Inactivation
13(13)
Food Matrix Effects
26(3)
Concluding Remarks
29
Appendix 10.1 Datasets Used for Examples in This
Chapter
29(7)
Bibliography and Suggested Further Reading
36
Kinetics of Physical Changes
1(1)
Introduction
1(1)
Kinetics of Diffusion
2(12)
Fick's Laws
2(6)
Maxwell-Stefan Approach
8(6)
Kinetics of Changes in Dispersity
14(15)
Kinetics of Aggregation of Colloids
14(5)
Kinetics of Creaming or Settling
19(2)
Kinetics of Coalescence
21(2)
Kinetics of Ostwald Ripening
23(1)
Kinetics of Gelation of Particles
24(4)
Kinetics of Crystallization
28(1)
Kinetics of Texture Changes
29(3)
Partitioning Phenomena
32(17)
Partition Coefficients
33(1)
Partitioning of Volatiles
33(13)
Partitioning of Weak Acids
46(3)
Concluding Remarks
49
Appendix 11.1 Datasets Used for Examples in This
Chapter
49(10)
Bibliography and Suggested Further Reading
59
Kinetics of Microbial Growth
1(1)
Introduction
1(1)
Primary Growth Models
2(9)
Differential Equations
3(3)
Algebraic Equations
6(5)
Secondary Models
11(9)
Nonisothermal Growth Modeling
20(2)
Bayesian Modeling
22(6)
Experimental Design
28(1)
Effects of the Food Matrix
28(1)
Concluding Remarks
29
Appendix 12.1 Datasets Used for Examples in This
Chapter
30(10)
Bibliography and Suggested Further Reading
40
Kinetics of Inactivation of Microorganisms
1(1)
Introduction
1(1)
Kinetics of Inactivation of Vegetative Cells
1(9)
Kinetics of Inactivation of Spores
10(6)
Temperature Dependence of Microbial Inactivation
16(8)
Food Matrix Effects
24(2)
Concluding Remarks
26
Appendix 13.1 Datasets Used for Examples in This
Chapter
26(16)
Bibliography and Suggested Further Reading
42
Modeling the Food Matrix
1(1)
Introduction
1(2)
Specific Effects in Aqueous Solutions
3(20)
Water Activity and the Effect of Cosolutes
4(7)
Water Activity and Food Stability
11(3)
Ionic and Nonionic Solute Interactions
14(4)
Significance of pH in Food
18(5)
Transport Phenomena and Molecular Mobility in the Food Matrix
23(9)
Micellar Effects
32(2)
Effect of Molecular Crowding in the Food Matrix
34(2)
Concluding Remarks
36
Appendix 14.1 Datasets Used for Examples in This
Chapter
37(16)
Bibliography and Suggested Further Reading
53
Retrospective and Outlook
1(1)
Introduction
1(1)
Shelf Life Modeling as an Integrative Approach
1(11)
Shelf Life from the Product Point of View
2(2)
Shelf Life from the Consumer Point of View
4(8)
Some Developments
12(2)
Concluding Remarks
14
Appendix 15.1 Datasets Used for Examples in This
Chapter
15(4)
Bibliography and Suggested Further Reading
19
Appendix A Some Calculus Rules 1(1)
Appendix B Ways to Express Amounts of Reactants and Products 1(1)
Appendix C Interconversion of Activity Coefficients Based on Mole Fractions, Molalities, and Molarities 1(1)
Appendix D Differential and Integrated Rate Equations for Kinetic Models of Complex Reactions 1(1)
Appendix E McMillan-Mayer and Lewis-Randall Framework and Equations for the Mean Spherical Approximation Theory 1(1)
Appendix F Probability Laws and Probability Models 1(1)
Appendix G Use of Matrix Notation in Model Representation and Regression Analysis 1(1)
Appendix H Some Thermodynamic Activity Coefficient Models 1(1)
Appendix I Reliability Engineering and the Weibull Model 1(1)
List of Symbols and Units 1(1)
Index 1
Wageningen University, The Netherlands
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