Chemistry Books

Book SynopsisFundamentals of Electrochemistry provides the basic outline of most topics of theoretical and applied electrochemistry for students not yet familiar with this field, as well as an outline of recent and advanced developments in electrochemistry for people who are already dealing with electrochemical problems.Table of ContentsContributors. Preface to the Second Edition. Preface to the First Edition. List of Photographs. Abbreviations. Symbols. PART I: BASIC CONCEPTS. 1. Electric Currents in Ionic Conductors. 1.1 Various Types of Conductors. 1.2 Ions in Electrolyte Solutions. 1.3 Conductivity of Electrolyte Solutions. 1.4 Circuits Involving Ionic Conductors. Electrodes. 1.5 Passage of Current Through Electrodes. Electrode Reactions. 1.6 Classification of Electrodes and Electrode Reactions. 1.7 Faraday’s Laws. 1.8 Equations for Mass Balance. 1.9 Sign Convention for Currents and Fluxes. 2. Electrode Potentials. 2.1 Interfacial Potential Differences (Galvani Potentials). 2.2 Exchange Currents. 2.3 Open-Circuit Voltages. 2.4 Electrode Potentials. 2.5 Cell Voltage at Nonzero Current. 3. Thermodynamics of Electrochemical Systems. 3.1 Conventional and Undefined Parameters. 3.2 Thermodynamic Functions in Electrochemistry. 3.3 Thermodynamic Activity. 3.4 Equations for the EMF of Galvanic Cells. 3.5 Concentration Dependence of Electrode Potentials. 3.6 Special Thermodynamic Features of Electrode Potentials. 4. Mass Transfer in Electrolytes. 4.1 Basic Laws of Ionic Diffusion in Solutions. 4.2 Limiting Diffusion Currents in Electrolytes. 4.3 Ionic Transport by Migration and Diffusion. 4.4 Convective Transport. 5. Phase Boundaries (Interfaces) Between Miscible Electrolytes. 5.1 Types of Interfaces Between Electrolytes. 5.2 Potentials Between Similar Electrolytes (Diffusion Potentials). 5.3 Distribution of the Ions Between Dissimilar but Miscible Electrolytes. 5.4 Distribution of Ions in Cells with Membrane. 5.5 Galvanic Cells with Transference. 6. Polarization of Electrodes. 6.1 Basic Concepts. 6.2 Laws of Activation Polarization. 6.3 Diffusional Concentration Polarization. 6.4 Superposition of Concentration and Activation Polarization. 7. Aqueous Electrolyte Solutions. 7.1 Electrolytic Dissociation. 7.2 Ionic Solvation (Hydration) in Solutions. 7.3 Activity of Real Electrolyte Solutions. 7.4 Physical Theories of Ion–Ion Interactions. 8. Nonaqueous Electrolytes. 8.1 Different Types of Electrolytes and Their Practicalb Utilization. 8.2 Nonaqueous Electrolyte Solutions. 8.3 Ionically Conducting Melts. 8.4 Inorganic Solid Electrolytes. 9. Electron Work Functions and Volta Potentials. 10. Structure and Properties of Surface Layers. 9.1 Surface Potential of a Phase. 9.2 Work Functions. 9.3 Volta Potentials. 9.4 Two Problems in Electrochemistry. 10. Structure and Properties of Surface Layers. 10.1 Electrical Structure of Interphases. 10.2 Adsorption Phenomena. 10.3 Thermodynamics of Surface Phenomena. 10.4 Mercury Electrode Surface. 10.5 Platinum Electrode Surface. 10.6 Surfaces of Other Electrodes. 11. Transient Processes. 11.1 Evidence for Transient Conditions. 11.2 Transient Diffusion to Electrodes of Large Size. 11.3 Transient Diffusion to Electrodes of Finite Size. 12. Electrochemical research Techniques. 12.1 Reference Electrodes. 12.2 Voltage and Electrode Potential Measurements (Potentiometry). 12.3 Steady-State Polarization Measurements. 12.4 Transient (Pulse) Measurements. 12.5 Impedance Measurements. PART II:KINETICS OF ELECTROCHEMICAL REACTIONS. 13. Multistep Electrode Reactions. 13.1 Intermediate Reaction Steps. 13.2 Rate-Determining Step. 13.3 Two-Step Electrochemical Reactions. 13.4 Complex Electrochemical Reactions.. 13.5 Reactions with Homogeneous Chemical Steps. 13.6 Reactions with Mediators. 13.7 Parallel Electrode Reactions. 14. Some Aspects of Electrochemical Kinetics. 14.1 Energy of Activation. 14.2 Kinetic Influence of the Electric Double Layer. 14.3 Kinetic Influence of Adsorption. 14.4 Special Features of Reactions at Semiconductor Electrodes. 14.5 Reactions Producing a New Phase. 15. Reactions at Nonconsumable Electrodes. 15.1 Simple Electrochemical Reactions. 15.2 Hydrogen Evolution and Ionization. 15.3 Reactions Involving Oxygen. 15.4 Reactions Involving Chlorine and Other Halogens. 15.5 Reactions Involving Organic Substances. 15.6 Reactions at High Anodic Potentials. 15.7 Reaction of Carbon Dioxide Reduction. 15.8 Reaction of Nitrogen Reduction. 16. Reactions Involving Metals. 16.1 Reacting Metal Electrodes. 16.2 Anodic Metal Dissolution. 16.3 Surface-Layer Formation. 16.4 Passivation of Electrodes. 16.5 Cathodic Metal Deposition. 16.6 Electrochemical Metal Treatments. PART III: APPLIED ASPECTS OF ELECTROCHEMISTRY. 17. Industrial Electrolytic Processes. 17.1 Chlor-Alkali Electrolysis. 17.2 Water Electrolysis. 17.3 Electrometallurgy. 17.4 Electroplating. 18. Electrochemical Reactors. 18.1 Design Principles. 18.2 Separators. 18.3 Macrokinetics of Electrochemical Processes (Systems with Distributed Parameters). 18.4 Porous Electrodes. 18.5 Three-Dimensional Electrodes. 19. Batteries (Electrochemical Power Sources. 19.1 Chemical Current-Producing Reactions in Batteries. 19.2 Performance of Batteries. 19.3 Electrochemical Systems. 19.4 Primary Batteries. 19.5 Storage Batteries. 19.6 Lithium Batteries. 20. Fuel Cells. 20.1 Introduction. 20.2 Design Principles of Fuel Cells. 20.3 Proton-Exchange Membrane Fuel Cells. 20.4 Direct Methanol Fuel Cells. 21. Some Electrochemical Methods of Analysis. 21.1 Electrochemical Capacitors and Supercapacitors. 21.2 Electrochemical Transducers. 22. Corrosion of Metals. 22.1 Various Types of Corrosion. 22.2 Mechanisms of Corrosion Processes. 22.3 Corrosion Protection. 23. Electrochemical Methods of Analysis. 23.1 Conductometry. 23.2 Coulometry. 23.3 Amperometry. 23.4 Polarography. 23.5 Transient Voltammetric Techniques. 23.6 Potentiometry. 24. Electrochemistry and the Environment (Alexander Skundin (Sections 24.1 to 24.4) and Alvin J. Salkind (Section 24.5)). 24.1 Chemical and Electrochemical Processes. 24.2 Monitoring the Environment. 24.3 Purification Procedures (Elimination of Pollutants). 24.4 Medical Applications of Electrochemistry. 24.5 Electrochemical Aspects of Bone Remodeling and Fracture Repair. PART IV: SELECTED TOPICS IN ELECTROCHEMISTRY. 25. Solid-State Electrochemistry (Ulrich Stimming and Hengyong Tu (Part A)). Part A. Solid Electrolytes. 25.1 Defects in Solids. 25.2 Solid Ion Conductors. 25.3 Solid Mixed Ionic–Electronic Conductors. 25.4 Electrochemical Reactions at Interfaces with Solid Electrolytes. Part B. Solid-State Reactions. 25.5 Heterogeneous Solid-State Reactions. 25.6 Electrochemical Intercalation. 26. Conductive Polymers (Klaus Müller). 26.1 Active Polymers. 26.2 Polymers with Ionic Functions. 26.3 Polymers with Electronic Functions. 27. Physical Methods for Investigation of Electrode Surfaces (James McBreen ). 27.1 Topics of Investigation. 27.2 X-Ray Methods. 27.3 Scanning Probe Methods. 27.4 Electrochemical Quartz Crystal Microbalance. 27.5 Optical Spectroscopy. 27.6 Infrared Spectroscopy. 27.7 Electrochemical NMR. 27.8 Ex Situ Methods. 27.9 The Future of Physical Methods in Electrochemistry. 28. Electrocatalysis. 28.1 Introduction. 28.2 Electrocatalysis and Adsorption Effects. 28.3 Metal Electrodes: Influence of the Nature of the Metal. 28.4 Metal Electrodes: Influence of Surface State and Structure. 28.5 Highly Disperse Metal Catalysts. 28.6 Binary and Multicomponent Metal Catalysts. 28.7 Nonmetallic Catalysts. 28.8 Stability of Electrocatalysts. 28.9 Other Aspects of Electrocatalysis. 28.10 Discussion. 29. Photoelectrochemistry. 29.1 Energy Levels of Electrons. 29.2 Electron Photoemission into Solutions. 29.3 Photoexcitation of Semiconductor Electrodes. 29.4 Photoexcitation of Reacting Species. 30. Bioelectrochemistry. 30.1 Transmission of the Nervous Impulse. 30.2 Bioenergetics. 30.3 Electrochemical Methods in Biology and Medicine. 31. Electrokinetic Processes. 31.1 Electrokinetic Potential. 31.2 Basic Equations of Electrokinetic Processes. 31.3 Practical Use of Electrokinetic Processes. 32. Interfaces Between Two Immiscible Electrolyte Solutions (Zdeněk Samec). 32.1 Equilibrium Galvani Potential Difference. 32.2 Ideally Polarizable ITIES. 32.3 Polarization Measurements. 32.4 Structure of ITIES. 32.5 Charge-Transfer Rate. 32.6 Applications. 33. Various Electrochemical Phenomena (Yurij Tolmachev (Section 33.1) and Leonid Kanevsky (Section 33.2)). 33.1 Electrochromism. 33.2 Electrochemical Noise. 33.3 Electrochemical Properties of High-Temperature Superconductors. 33.4 Electrochemical “Cold Fusion”. 34. Main Concepts of Elementary Reaction Act Theory (Alexander Kuznetsov). 34.1 Outer-Sphere Electron Transfer Reactions in the Bulk Solution. 34.2 Adiabatic and Nonadiabatic Reactions. 34.3 Electrochemical Electron Transfer. 34.4 Electrochemical Adiabaticity Parameter. Medium Dynamics vs. Static Distribution. 34.5 Adiabatic Electrochemical Electron Transfer Reactions. 34.6 Electric Double-Layer Effects on the Elementary Act of Electron Transfer. 34.7 Bond-Breaking Electron Transfer. 34.8 Reorganization Energy of the Medium and the Frequency Factor. 34.9 Electrochemical Proton Transfer. 35. Computer Simulation in Electrochemistry (Ezequiel Leiva ). 35.1 Introduction. 35.2 Molecular(Atom) Dynamics. 35.3 Monte Carlo Methods. 36. Nanoelectrochemistry (Ezequiel Leiva). 36.1 Introduction. 36.2 Probe-Induced Electrochemical Nanostructuring of Metallic Surfaces. 36.3 Defect Nanostructuring. 36.4 Tip-Induced Local Metal Deposition. 36.5 Localized Electrochemical Nucleation and Growth. 36.6 Electronic Contact Nanostructuring. 36.7 Nanostructuring by Scanning Electrochemical Microscopy. 37. Development of Electrochemistry. 37.1 First Electrochemical Power Sources. 37.2 Development of a Large-Scale Electrochemical Industry. 37.3 Fuel Cells and Lithium Batteries. Appendix A: Derivation of the Main Equation of Debye-Huckel Theory. Appendix B: Derivation of the main Equation of Gouy-Chapman Theory. General Bibliography. Author Index. Subject Index.

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Book SynopsisIn 1975 workers at Life Science Products, a small makeshift pesticide factory in Hopewell, Virginia, became ill after exposure to Kepone, the brand name for the pesticide chlordecone. Gregory Wilson explores the conditions that put the Kepone factory and the workers there in the first place and the effects of the poison long after 1975.

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Book SynopsisThe Chemistry of Nitrogen-rich Functional Groups, Volume 2 A series of advanced treatises founded by Professor Saul Patai and now under the general editorship of Professors Ilan Marek and Joel F. Liebman PATAI's Chemistry of Functional Groups publishes comprehensive reviews on all aspects of specific functional groups. Each volume contains outstanding surveys on theoretical and computational aspects, NMR, MS, other spectroscopic methods and analytical chemistry, structural aspects, thermochemistry, photochemistry, synthetic approaches and strategies, synthetic uses and applications in chemical and pharmaceutical industries, biological, biochemical, and environmental aspects. To date, over 150 volumes have been published in the series. Recently Published Titles The Chemistry of Peroxides (Volume 2, 2 parts) The Chemistry of Organozinc Compounds (2 parts) The Chemistry of Anilines (2 parts) The Chemistry of Organomagnesium Compounds (2 parts) The Chemistry of Hydroxylamines, Oximes and Hydroxamic Acids (2 volumes, 4 parts) The Chemistry of Metal Enolates (2 parts) The Chemistry of Organocopper Compounds (2 parts) The Chemistry of Organomanganese Compounds The Chemistry of Organic Selenium and Tellurium Compounds (Volume 3, 2 parts) The Chemistry of Organic Selenium and Tellurium Compounds (Volume 4, 2 parts) The Chemistry of Organoiron Compounds The Chemistry of Metal Phenolates The Chemistry of Peroxides (Volume 3, 2 parts) The Chemistry of Organogold Compounds (2 parts) The Chemistry of Organoaluminum Compounds The Chemistry of Metal Enolates (Volume 2) The Chemistry of Metal Phenolates (Volume 2) The Chemistry of Hypervalent Halogen Compounds (2 parts) The Chemistry of Nitrogen-rich Functional Groups The Chemistry of Organoboron Compounds (2 parts) The Chemistry of Organocobalt Compounds The Chemistry of Organofluorine Compounds PATAI Online PATAI's Chemistry of Functional Groups is available in electronic format on Wiley Online Library.

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Book SynopsisTable of ContentsList of Contributors xv Preface xix 1 Biocatalysis 101 – A Chemist’s Guide to Starting Biocatalysis 1 Pablo Díaz- Kruik, David Lim, and Francesca Paradisi Glossary 1 1.1 Introduction 1 1.1.1 Enzymes – the Green and Sustainable Way of the Future 1 1.1.2 Enzymatic and Organic Catalysis Are Not too Different from Each Other 3 1.1.3 Enzymes 101 4 1.2 When Should I Choose an Enzyme over a Chemical Catalyst? 4 1.3 Key Considerations for Running Biocatalytic Reactions 6 1.3.1 Dispelling Myths 6 1.3.1.1 Enzymes Are Not Safe to Use 7 1.3.1.2 Enzymes Are Not as Readily Available as Chemical Catalysts 7 1.3.1.3 Enzymes Are Seldom Useful Due to Their Limited Substrate Scope 7 1.3.1.4 The Cost of Enzyme Production Is Very High 8 1.3.1.5 Enzymes Are Functionally Unstable Under Organic Conditions 9 1.3.1.6 Sustainability 9 1.3.2 Challenges of Using Enzymes: the Need for Strict Reaction Conditions 9 1.3.2.1 Enzymes from Extremophiles 10 1.3.2.2 Solvents (and Co- solvents) 10 1.3.2.3 Concentration and Ionic Strength of the Buffer 10 1.3.2.4 pH Dependence 11 1.3.2.5 Concentration of Reactants 11 1.3.2.6 Enzyme Concentration 12 1.3.2.7 Enzyme Forms 12 1.3.2.8 Toxicity 13 1.3.3 What Do I Need to Start Biocatalytic Experiments in My Lab? 13 1.3.4 Additional Considerations 14 1.4 Transformations Catalyzed by Enzymes 15 1.4.1 EC – The Enzyme Commission Number 15 1.4.1.1 EC 1 – Oxoreductases 15 1.4.1.2 EC 2 – Transferases 16 1.4.1.3 EC 3 – Hydrolases 16 1.4.1.4 EC 4 – Lyases 17 1.4.1.5 EC 5 – Isomerases 18 1.4.1.6 EC 6 – Ligases 18 1.4.1.7 EC 7 – Translocases 18 1.4.2 Some Applications of Selected Commercially Available Enzymes 19 1.4.2.1 Horseradish Peroxidase 19 1.4.2.2 Lysozyme 19 1.4.2.3 Trypsin 20 1.4.2.4 Candida Lipase B 20 1.4.2.5 Amino Acid Dehydrogenase 20 1.4.2.6 Glycosidases 21 1.4.3 Engineered (Unnatural) Reactions 21 1.5 New Trends and Technologies in Biocatalysis 21 1.5.1 Flow Biocatalysis and New Technologies 21 1.5.1.1 What Is Flow Biocatalysis? 21 1.5.1.2 How Does Flow Biocatalysis Work? 21 1.5.1.3 When Is a Flow Process More Beneficial for a Specific Transformation? 23 1.5.1.4 Should One Implement Every Enzymatic Reaction in Flow? 23 1.5.2 Enzyme Engineering 24 1.5.3 Photobiocatalysis 25 1.6 Flow Chart to Biocatalysis 25 1.7 Case Study: Setting up a Biotransformation 27 1.8 Concluding Remarks 31 Additional Resources 31 References 31 2 Introduction to Photochemistry for the Synthetic Chemist 37 Stefano Protti, Davide Ravelli, and Maurizio Fagnoni Glossary 37 2.1 Introduction 38 2.1.1 Light to Make Your Synthesis Greener 38 2.1.2 A Way to Overcome HOMO/LUMO Interactions 39 2.2 How to Plan a Photochemical Synthesis 45 2.2.1 The Choice of the Solvent 45 2.2.2 Concentration of the Absorbing Species 47 2.2.3 The Reaction Vessel 48 2.2.4 Light Sources 48 2.2.4.1 Low- Pressure Mercury Arcs 49 2.2.4.2 Medium- and High- Pressure Mercury Arcs 50 2.2.4.3 Other Light Sources 50 2.2.5 From Batch to Flow Conditions 52 2.2.6 Preparation of the Sample 54 2.2.7 Safety Equipment 54 2.3 Selected Applications of Photochemical/Photocatalyzed Reactions 55 2.3.1 Reactions Involving the C═C Double Bond 55 2.3.2 Reactions Involving the C═O Double Bond 58 2.3.3 Reactions Involving a Photoinduced Homolysis 60 2.3.4 Reactions Involving Singlet Oxygen 62 2.3.5 Reactions Involving a Photocatalytic Step 62 2.4 Conclusions 67 Acknowledgment 67 References 67 3 How to Confidently Become an Electrosynthetic Practitioner 73 Sylvain Charvet, Taline Kerackian, Camille Z. Rubel, and Julien C. Vantourout Glossary 73 Abbreviations 76 3.1 Introduction 77 3.2 General Definition of Organic Electrosynthesis 78 3.3 Why is Organic Electrosynthesis Used? 78 3.4 How is Organic Electrosynthesis Performed? 78 3.5 Where to Start with Electrosynthesis? 79 Selected General Reviews 79 Selected General Guides 79 3.6 Electrasyn 2.0 80 3.6.1 Machine and Consumables 80 3.6.1.1 Opening the IKA ElectraSyn 2.0 Box 80 3.6.1.2 Cell (Vial and Cap) 81 3.6.1.3 Electrodes 82 3.6.2 Interface 83 3.6.2.1 Hardware 83 3.6.2.2 Menus 84 3.6.3 How to Set Up the Cell 84 3.6.4 How to Start an Experiment 85 3.6.5 During the Reaction 88 3.6.6 After the Reaction 89 3.7 Case Study 90 3.7.1 Project Overview 90 3.7.2 Optimization of Parameters 92 3.7.2.1 Designing an Electrochemical Experiment 92 3.7.3 Proof of Concept 94 3.7.3.1 Optimization 94 3.7.3.2 Substrate Scope 102 3.8 Conclusion 103 References 103 4 Flow Chemistry 107 Yosuke Ashikari and Aiichiro Nagaki Glossary 107 4.1 Introduction 109 4.1.1 What is Flow Microchemistry 109 4.1.1.1 Reaction Time Controllability 110 4.1.1.2 Fast Mixing 111 4.1.1.3 Temperature Controllability 112 4.1.2 Reactions Enabled by Flow Microreactors 112 4.1.2.1 Competitive Sequential Reactions 112 4.1.2.2 Reactions Mediated by Unstable Intermediates 114 4.1.2.3 Reactions Occurring at the Surface: Two- Phase Reactions, Electrochemical Reactions, and Photoreactions 117 4.1.3 Further Applicability of Flow Microsynthesis 118 4.1.3.1 Scalability 118 4.1.3.2 Safety Operation 118 4.2 General Information for Flow Microreactors 118 4.2.1 Tools and Equipment for Flow Chemistry 119 4.2.1.1 Micromixer 119 4.2.1.2 Tube Reactor 120 4.2.1.3 Pump 120 4.2.1.4 Pre- Cooling Tubes 121 4.2.1.5 PTFE Tubes 121 4.2.2 How to Perform Experiments 122 4.2.2.1 Selection of Reaction Conditions 122 4.2.2.2 Preparation of Reagent Solution 125 4.2.2.3 Preparation for Reactions 126 4.2.2.4 Preparation for Reaction Evaluation 128 4.2.2.5 Cleaning Up 129 4.3 Case Studies 129 4.3.1 Competitive Sequential Reaction (General Procedure) 129 4.3.1.1 Preparation 130 4.3.1.2 Experiment 132 4.3.1.3 Screening of Reaction Conditions 133 4.3.1.4 Analysis 134 4.3.1.5 Clean Up 136 4.3.2 Reactions Mediated by Short- Lived Intermediates 136 4.3.3 Reaction Integration 139 4.4 Further Expertise 142 4.4.1 Reaction Integration 142 4.4.2 Chemoselective Reactions 143 4.4.3 Heterogeneous Catalytic Reactions 143 4.5 Summary and Outlook 144 References 144 5 Reaction Optimization Using Design of Experiments 149 Laura Forfar and Paul Murray Glossary 149 5.1 Introduction 151 5.1.1 How Do We Experiment and DoE Terminology 151 5.1.2 OVAT vs. DoE 153 5.1.2.1 A Simple Chemical Example 153 5.1.3 A Note on Error, Accuracy, and Precision 156 5.2 When and How Can DoE Be Used? 157 5.3 What Information Can I Get from a DoE and How Is It Obtained? 158 5.3.1 Which Factors Are Important? 159 5.3.2 How Are the Models Generated? 161 5.4 What Types of Design Are Available? 164 5.4.1 Screening Designs 164 5.4.1.1 Fractional Factorial Designs 165 5.4.1.2 Definitive Screening Designs 166 5.4.2 Designs for Optimizing Reactions 167 5.4.3 Response Surface Designs 167 5.5 The DoE Process 169 5.5.1 Aim and Objective 170 5.5.2 Selecting Factors and Ranges 171 5.5.2.1 Factors 171 5.5.2.2 Ranges 173 5.5.3 Selecting Responses 175 5.5.4 Select a Design to Answer the Objective 176 5.5.5 Carry Out Design and Analyze Samples 177 5.5.6 Check Results 178 5.5.7 Model Data 179 5.5.7.1 General Steps for Developing a Model 180 5.5.7.2 Wittig Reaction 181 5.5.7.3 Complementing the Design 187 5.5.8 Validate Predictions 189 5.6 Combining DoE with Other Screening and Optimization Techniques 191 5.7 Software 192 5.8 “I Tried Experimental Design But It Did Not Work” 193 5.9 Conclusion 194 References 195 6 Introduction to High- Throughput Experimentation (HTE) for the Synthetic Chemist 197 Stephanie Felten, Michael Shevlin, and Marion H. Emmert Glossary 197 6.1 What Is HTE? 199 6.2 Why HTE and What Can It Achieve? 199 6.2.1 Commonly Perceived Barriers to Employing HTE in Synthetic Chemistry 200 6.2.1.1 Cost 200 6.2.1.2 Availability of Dedicated HTE Facilities 200 6.2.1.3 Access to Knowledge and Training 201 6.2.1.4 Perception of HTE as Antithesis of Hypothesis- driven Research 201 6.2.2 Advantages of HTE Workflows vs. Traditional Reaction Setup 203 6.2.2.1 Setup Time per Reaction 203 6.2.2.2 Miniaturization and Efficient Reagent Use 203 6.2.2.3 Multivariable vs. Sequential Optimization 203 6.2.2.4 Visualizing Reactivity Patterns 204 6.2.2.5 Serendipity in Reaction Discovery 204 6.2.2.6 Avoiding Cross- contamination 206 6.3 Practical Considerations and Tools for HTE 206 6.3.1 Outline of a Typical HTE Workflow 207 6.3.2 Types of HTE Designs 209 6.3.2.1 HTE for Reaction Discovery 209 6.3.2.2 HTE for Reaction Optimization 210 6.3.3 HTE Design Software: Tools for Building Arrays 211 6.3.4 HTE Reactors and Consumables 214 6.3.4.1 Reaction Blocks 214 6.3.4.2 HTE Vials 214 6.3.4.3 Reaction Blocks with Sealing Top Plate 215 6.3.4.4 Special Reactors for Photochemistry, Electrochemistry, and High- Pressure Reactions 215 6.3.4.5 Reaction Stirring and Temperature Control 217 6.3.4.6 Consumables 219 6.3.5 Considerations for Experimental Setup 220 6.3.5.1 Reaction Atmosphere 220 6.3.5.2 Reagent Preparation and Dispensing 221 6.3.5.3 Storage of Preplated Reagents 223 6.3.5.4 Pipetting 224 6.3.5.5 Solvent Evaporation 225 6.3.6 Analysis of HTE Screens 226 6.3.6.1 Suitable Instrumentation 226 6.3.6.2 Autosampler Configurations 226 6.3.6.3 Analytical Methods 227 6.3.6.4 Internal Standards and Assay Yields 227 6.3.6.5 Data Visualization and Analysis 228 6.3.7 The Role of Automation and Robotics in HTE 229 6.4 Section Summary and Outlook 232 6.5 Case Study 1: Development of an HTE Platform for Nickel- Catalyzed Suzuki–Miyaura Reactions 233 6.5.1 Motivation 233 6.5.2 Design of Test Reaction and Initial Ligand Screen 233 6.5.3 Second Round of Ligand/Base/Solvent Screens 235 6.5.4 Final Platform Design 237 6.5.5 Validation of Platform Design 237 6.6 Case Study 2: HTE Enabled Reaction Discovery and Optimization of Silyl- Triflate- Mediated C–H Aminoalkylation of Azoles 240 6.6.1 Motivation 240 6.6.2 Reaction Discovery Plate Design 240 6.6.3 Ligand Screen 243 6.6.4 Parallel Optimization of Three Reagents 244 6.6.5 Base Screen 244 6.7 Current Challenges and the Future of HTE 247 6.7.1 Summary and Conclusions 247 6.7.2 Remaining Challenges: The Next Frontiers 248 6.7.2.1 Biphasic Reaction Mixtures 248 6.7.2.2 Flow Chemistry and HTE 248 6.7.2.3 Reaction Profiling 249 6.7.2.4 Building Machine Learning Models to Predict Reactivity 249 6.7.2.5 Addressing Future Challenges 250 Acknowledgments 250 Further Recommended Reading 250 References 250 7 Concepts and Practical Aspects of Computational Chemistry 259 Martin Breugst Glossary 259 7.1 Introduction 261 7.2 Hardware and Software Requirements for Computational Investigations 264 7.3 Typical Methods in Computational Organic Chemistry 265 7.3.1 General Aspects 265 7.3.2 Molecular Mechanics and Force Fields 266 7.3.3 Wave- Function Methods I – Hartree–Fock Theory 267 7.3.4 Wave- Function Methods II – Post- Hartree–Fock Theory 267 7.3.5 Semiempirical Methods 269 7.3.6 Density Functional Theory 269 7.3.7 Dispersion- Corrected Density Functional Theory 271 7.3.8 Typical Computational Times 272 7.4 Basis Sets Used in Computational Organic Chemistry 273 7.4.1 General Aspects of Basis Sets 273 7.4.2 Introduction to the Mathematical Formalism in Basis Sets 274 7.4.3 Polarization and Diffuse Functions 275 7.4.4 Basis Set Families 276 7.4.5 Effective Core Potentials (Pseudopotentials) 278 7.4.6 The Basis Set Superposition Error (BSSE) 279 7.5 Typical Computational Tasks in Organic Chemistry 279 7.5.1 Preliminary Remarks 279 7.5.2 Single- Point Calculations 281 7.5.3 Geometry Optimizations 281 7.5.4 Frequency Calculations 282 7.5.5 Intrinsic Reaction Coordinate (IRC) Calculations 284 7.5.6 Conformational Analysis 285 7.6 Notation of the Model Chemistry 286 7.7 The Diels–Alder Reaction as a Tutorial Case Study 286 7.7.1 General Aspects and Requirements 286 7.7.2 Preparing Input Files 288 7.7.3 Conformational Sampling – Generation of Initial Geometries 290 7.7.4 Geometry Optimizations of Starting Materials and Products 291 7.7.5 Locating the Transition States 294 7.7.6 Verifying the Nature of the Transition State 298 7.8 More Advanced Aspects 300 7.8.1 General Comments 300 7.8.2 Influence of Solvation 300 7.8.3 Integration Grid 302 7.8.4 Standard States 302 7.8.5 Treating Unpaired Electrons 303 7.9 Important and Frequently Used Keywords 304 7.10 Practical Considerations 304 7.11 Conclusions 306 References 306 8 NMR Prediction with Computational Chemistry 313 Amy T. Merrill, Wentao Guo, and Dean J. Tantillo Glossary 313 8.1 Introduction 314 8.2 Quantum- Chemistry- Based Computational NMR 315 8.2.1 Methods 315 8.2.1.1 Time/Resources for Calculations 316 8.2.1.2 Structural Considerations in Modeling 317 8.2.1.3 Geometry Optimizations 323 8.2.1.4 Calculating Isotropic Shielding Constants 324 8.2.1.5 Common Pitfalls and How to Address Them 328 8.2.1.6 Converting to Chemical Shifts 329 8.2.1.7 Calculating Coupling Constants 330 8.2.2 Confidence Analysis 330 8.2.3 Computer- Aided Automated Approaches 332 8.2.3.1 Case 332 8.2.4 A Case Study 336 8.2.5 Practicing 1 H and 13 C Chemical Shift Prediction 338 8.3 Summary and Outlook 339 Key References 339 References 340 9 Introduction to Programming for the Organic Chemist 347 Jason M. Stevens 9.1 Introduction 347 9.2 Better Visualizations: Communicating Structure–Data Relationships 351 9.3 Text Extraction: Automating Density Functional Theory Calculations 354 9.4 Statistical Analysis: Deriving Insight from Historical Data 357 9.5 Machine Learning: A Predictive Model for Deoxyfluorination 359 9.6 Working with Public Datasets: Identifying Reactivity Cliffs 364 9.7 Running Simulations: Process Greenness 367 9.8 Application Development: Process Mass Intensity Predictor 371 9.9 Machine Learning for Reaction Optimization 374 9.10 Executing Robotic Tasks 378 9.11 Autonomous Reaction Optimization 381 9.12 Conclusion 384 References 385 10 Machine Learning for the Optimization of Chemical Reaction Conditions 393 A. Filipa de Almeida and Tiago Rodrigues Glossary 393 10.1 Introduction 394 10.2 Prior Art and Alternative Methods for Rational Reaction Optimization 396 10.3 Reaction Optimization Using LabMate.ML 400 10.3.1 Step One: Accessing the LabMate.ML Code and Installation 401 10.3.2 Step Two: Initializing the Optimization Routine in LabMate.ML 402 10.3.3 Step Three: Iterative Optimization Routine 404 10.3.4 Examples 406 10.4 Primer on Evaluation Guidelines 408 10.4.1 Code and Dataset Availability 408 10.4.2 Retrospective Evaluation 409 10.4.3 Baselines and Comparing Tools 410 10.4.4 Prospective Evaluation 412 10.5 Outlook 414 References 416 11 Computer- Assisted Synthesis Planning 423 Zhengkai Tu, Itai Levin, and Connor W. Coley Glossary 423 11.1 Introduction to Computer- Aided Synthesis Planning 424 11.1.1 Defining the Tasks and Use Cases 424 11.1.2 Historical Approaches to Computer- Aided Synthesis Planning 425 11.1.3 The Inflection Point of CASP Methods 425 11.1.4 Preliminaries on Molecular Representation and Cheminformatics 426 11.1.5 Outline of the Rest of the Chapter 428 11.2 Approaches and Algorithms for Retrosynthesis 428 11.2.1 Data- driven v. Expert- Driven Programs 428 11.2.2 Template- Based Approaches 429 11.2.3 Template- free Approaches with Graphs and Sequences 431 11.2.4 Multistep Planning Algorithms 433 11.3 Approaches and Algorithms for Condition Recommendation and Forward Synthesis 436 11.3.1 Condition Recommendation Approaches 436 11.3.2 Forward Synthesis Approaches 437 11.4 Select Examples of Software Tools for CASP 439 11.4.1 Open- Source Tools 439 11.4.1.1 Askcos 439 11.4.1.2 AiZynthFinder 440 11.4.1.3 Retro* 442 11.4.2 Closed- Source Tools 443 11.4.3 CASP Tools for Enzymatic Catalysis 446 11.4.4 Practical Considerations for CASP Programs 446 11.4.4.1 Traceability to Literature Precedent 447 11.4.4.2 How to Use CASP: Command Line Versus Graphical User Interface 447 11.4.4.3 Data Privacy 448 11.4.4.4 Customization Ability 448 11.5 Case Studies 448 11.5.1 Segler et al.’s Data- driven Program and A/B Testing Success 449 11.5.2 MIT’s ASKCOS Program and Robotic Synthesis Demonstration 449 11.5.3 Grzybowski’s Chematica/Synthia Program’s Experimental Validations and Acquisition 450 11.6 Conclusion 451 Key References 453 References 453 Index 461

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Book SynopsisThe alarming level of greenhouse gases in the environment, fast depleting natural resources and the increasing level of industrial effluents, have made every single manufacturing activity come under the scrutiny of sustainability. When all kinds of waste such as clothes, furniture, carpets, televisions, shoes, paper, food wastes etc. end up in the landfill, only a few of them are naturally decomposed and thus a large majority remains as non-biodegradable. It is for this reason, efforts are concentrated to reduce the burden on earth by this waste, and as far as used textile products are concerned, there are now attempts to recycle or up-cycle. This book addresses the role of sustainability by using textile waste in fashion and textiles with respect to manufacturing, materials, as well as the economic and business challenges and opportunities it poses. This wide-ranging book comprises 19 chapters on the various topics including: Solutions for sustainable fashion and texTable of ContentsPreface xxi 1 Overview on Recycling from Waste in Fashion and Textiles: A Sustainable and Circular Economic Approach 1Pintu Pandit, Kunal Singha, Sanjay Shrivastava and Shakeel Ahmed 1.1 Introduction 2 1.2 Importance of Recycling 3 1.3 Challenges in Designing With Post-Consumer Clothing and Benefits of Recycling 4 1.4 The Market for Upcycled Fashion Garments 6 1.5 Recycling Fashion Manufacturers 6 1.6 Sustainable Fibers and Technologies in Textiles and Fashions 7 1.7 The Circular Economy 9 1.8 The Main Characteristic of the Economy 9 1.9 Eco-Labels Concerning Bringing Sustainability 12 1.10 Technological and Sustainable Measures Under Fashion Industry 13 1.11 Consumer Consciousness Along With Corporate Social Obligation 13 1.12 Sharing Economy and Collaborative Consumption 14 1.13 Technological Amendments in Textiles Making It More User Friendly and Environment Friendly 15 1.14 Conclusions 16 2 Challenges for Waste in Fashion and Textile Industry 19Jayant Kumar, Kunal Singha, Pintu Pandit, Subhankar Maity and Amal Ray 2.1 Introduction 20 2.1.1 Annual Global Fiber Consumption (2000–2012) 21 2.2 Major Challenges in Managing Textile and Fashion Wastages 24 2.3 Usage of Renewable Resources to the Maximum 29 2.4 Increase the Life of the Product 29 2.5 Conclusions 31 3 Solutions for Sustainable Fashion and Textile Industry 33Ritu Pandey, Pintu Pandit, Suruchi Pandey and Sarika Mishra 3.1 Introduction 34 3.2 Sustainable Fashion Industry and Green Solutions 35 3.3 Recyclable Used Clothing 44 3.4 Obstacles of Fashion Reuse Businesses 46 3.5 Solutions for Sustainable Textile Industry 47 3.6 Key Points of Counter Measures for Sustainability in Textile Industry 49 3.7 Textile Waste 57 3.8 Use of Textile Production House By-Products, Chemicals, and Water 58 3.9 Textile Industry Effluent and Sludge Treatment Processes 60 3.10 Recent Trends in Wastewater Treatment 62 3.11 International Framework of Environmental Standards, Regulations, and Labels for Sustainability 64 3.12 Conclusion 69 4 Opportunities of Agro and Biowaste in Fashion Industry 73Seiko Jose, Lata Samant, Archana Bahuguna and Pintu Pandit 4.1 Introduction 74 4.2 Agro/Biowaste for Textiles 75 4.3 Agro/Biowastes for Textile Manufacturing 79 4.4 Agro/Biowastes for Textile Wet Processing 84 4.5 Conclusion 94 5 Innovating Opportunities for Fashion Brands by Using Textile Waste for Better Fashion 101Vandana Gupta, Madhvi Arora and Jasmine Minhas 5.1 Introduction 102 5.2 Textile and Apparel Industry 103 5.3 Carbon Foot Prints and Waste Generation From Textile and Apparel Industries 105 5.4 Fashion Brands Working Towards Sustainability Using Textile Waste 109 5.5 Conclusion 117 6 Challenges and Opportunities of Waste in Handloom Textiles 123Pintu Pandit, Sanjay Shrivastava, Sankar Roy Maulik, Kunal Singha and Lokesh Kumar 6.1 Introduction 124 6.2 History of Handloom Textile Industry 126 6.3 Types of Weaving Traditions 127 6.4 Approaches to Rejuvenate the Handloom Weavers 129 6.5 The Performance-Based Factors for Handloom Sector 129 6.6 Challenges for Handloom Textile Waste 131 6.7 Opportunities Towards Handloom Textile Sector 131 6.8 Unraveling the Weaver’s Scenarios: A Case Study on Bhagaiya, Jharkhand 132 6.9 Opportunities for Handloom Weavers Using Natural Resources 139 6.10 Conclusions 147 7 Business Paradigm Shifting: Opportunities in the 21st Century on Fashion From Recycling and Upcycling 151Pintu Pandit, Kunal Singha, Lokesh Kumar, Sanjay Shrivastava and Vinayak Yashraj 7.1 Introduction 152 7.2 Importance of Recycling 152 7.3 Fast Fashion and Slow Fashion Consumers 154 7.4 Impact of Fast Fashion in the Development of Sustainable Materials 155 7.5 Sustainable Fabrics 156 7.6 Challenges in Designing With Post-Consumer Clothes 158 7.7 Market for Recycled Fashion Garments 159 7.8 Indian Upcycling/Recycling Brands: Case Study 160 7.9 International Upcycling/Recycling Brands: Case Study 161 7.10 Fashion Designers: Keeping Textiles and Fashion Alive 164 7.11 Future Prospective for the Fashion Illustration 166 7.12 Current and Future Scope of Industry 170 7.13 Conclusions 174 8 Sustainability in Fashion and Textile 177Pintu Pandit, Bhagyashri N. Annaldewar, Akanksha Nautiyal, Saptarshi Maiti and Kunal Singha 8.1 Introduction 177 8.2 Sustainability 178 8.3 Environmental and Social Impacts of Textile and Fashion Industry 180 8.4 Sustainability in Fashion and Textiles 182 8.5 Sustainable Solutions in Textile and Fashion 182 8.6 Advance Technologies 188 8.7 Eco-Labeling 189 8.8 Barriers in Sustainable Fashion and Textiles 190 8.9 Economic Issues and Product Design 190 8.10 Sustainable Fashion Fibers 190 8.11 Technological and Sustainable Measures Under the Fashion Industry 193 8.12 Conclusions 194 9 Sustainable Strategies From Waste for Fashion and Textile 199Kunal Singha, Pintu Pandit, Subhankar Maity, Rajni Srivasatava and Jayant Kumar 9.1 Introduction 199 9.2 Sustainable Fashion for Brands 203 9.3 Sustainability and Internal Organization-Marketing Strategies 204 9.4 Conclusions 210 10 Utilization of Natural Waste for Textile Coloration— Innovative Approach for Sustainability 215Pradnya Prashant Ambre and Pintu Pandit 10.1 Introduction 216 10.2 Natural Dyes for Their Soothing Shades 218 10.3 Research Studies for Potential Use of Natural Colorants 220 10.4 Functional Health Care Properties of Natural Dyes and Natural Mordants 222 10.5 Innovative Approach Towards Utilization of Natural Waste 225 10.6 Conclusion 230 11 Circular Economy in Fashion and Textile From Waste 235Subhankar Maity, Kunal Singha, Pintu Pandit and Amal Ray 11.1 Introduction 236 11.2 Linear Economy 236 11.3 Shortcomings of Linear Economy 238 11.4 Circular Economy 238 11.5 Principles of Circular Economy 241 11.6 Conclusion 248 12 Marketing Strategies for Upcycling and Recycling of Textile and Fashion 253Suruchi Pandey, Pintu Pandit, Ritu Pandey and Sanjay Pandey 12.1 Introduction 253 12.2 Marketing Mix 255 12.3 Market Analysis 259 12.4 Marketing Strategies for Upcycling and Recycling Textile and Fashion 263 12.5 Innovative Ways to Market 268 12.6 Conclusions 273 13 Economical and Sustainable Price Sensitive Fashion and Apparels Marketplace 277M. D. Teli, Pintu Pandit and Kunal Singha 13.1 Introduction 278 13.2 Sustainable Business Strategies for Fashion Industry 278 13.3 Materials and Methods 280 13.4 Low-Cost Sustainable Upcycling Based on Waste Natural Resources 289 13.5 The Sustainable Fashion Communication Model 290 13.6 Marketing Landscape of Low Cost Fashion and Apparel Consumable Products 291 13.7 Conclusions 295 14 Sustainability Innovations Coupled in Textile and Fashion 299Vikas Kumar, Kunal Singha, Pintu Pandit, Jayant Kumar and Subhankar Maity 14.1 Introduction 299 14.2 Life Cycle Perspective 300 14.3 Sustainability in Textile Industry 306 14.4 Future Textiles for Space Age Materials 315 14.5 Conclusions 317 15 Future Mobilizations and Paths of Waste—Towards Best Solution 321Subhankar Maity, Manoj Kumar Mondal, Pintu Pandit and Kunal Singha 15.1 Introduction 322 15.2 Waste Management Hierarchy 323 15.3 Textile Materials 325 15.4 Circular Economy/Zero Waste 327 15.5 Energy from Waste Strategies 336 15.6 Challenges 337 15.7 Conclusions 337 16 Golden Fiber Jute: A Treasurable Sustainable Material 341Amarish Dubey, Vinay Kumar Chauhan, Ritu Pandey, Mayank Manjul Dubey and Sanjoy Debnath 16.1 Introduction 342 16.2 Jute Cultivation, Distribution, and Production 343 16.3 Indian Jute Industry: An Overview of Glitches and Compensations 345 16.4 Environmental Aspects of Jute 346 16.5 Traditional Applications of Jute 347 16.6 Scientific Mechanical Applications of Jute 348 16.7 Electrical and Electrochemical Applications of Jute 349 16.8 Geotextile Application of Jute 350 16.9 Agro Textile Application of Jute 350 16.10 Medical Textiles Applications of Jute 351 16.11 Jute as a Replacement of Wood 352 16.12 Jute Paper Pulp 353 16.13 Bioenergy Application of Jute 353 16.14 Value Addition of Jute Fibers 355 16.15 Conclusion 356 17 Sustainable Isolation of Natural Dyes from Plant Wastes for Textiles 363Shahid Adeel, Nimra Amin, Fazal-ur-Rehman, Tanvir Ahmad, Fatima Batool and Atya Hassan 17.1 Introduction 364 17.2 Classification of Natural Dyes 364 17.3 Medicinal Uses of Natural Colorants 364 17.4 Mordanting of Natural Dye 376 17.5 Chemical Mordanting 377 17.6 Biomordanting 377 17.7 Recent Advances Used in Natural Dyes 378 17.8 Different Plant Source of Natural Dyes 381 17.9 Conclusion 385 18 Agro-Waste Applications for Bioremediation of Textile Effluents 391Shumaila Kiran, Tanvir Ahmad, Tahsin Gulzar, Asma Ashraf, Syed Ali Raza Naqvi and Saba Naz 18.1 Introduction 392 18.2 Wastewater Treatment 392 18.3 Agro-Waste Materials 393 18.4 Kinds of Agro-Waste Materials 395 18.5 Conclusion 412 19 An Insight Into Herbal-Based Natural Dyes: Isolation and Applications 423Shahid Adeel, Mahwish Salman, Ameer Fawad Zahoor, Muhammad Usama and Nimra Amin 19.1 Introduction 424 19.2 Classification of Natural Dye 424 19.3 Extraction of Natural Dye 426 19.4 Mordanting 427 19.5 Herbal-Based Dye Yielding Plants 428 19.6 Conclusion 448 References 448 Index 457

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Book SynopsisPRINCIPLES OF INORGANIC CHEMISTRY Discover the foundational principles of inorganic chemistry with this intuitively organized new edition of a celebrated textbook In the newly revised Second Edition of Principles of Inorganic Chemistry, experienced researcher and chemist Dr. Brian W. Pfennig delivers an accessible and engaging exploration of inorganic chemistry perfect for sophomore-level students. This redesigned book retains all of the rigor of the first edition but reorganizes it to assist readers with learning and retention. In-depth boxed sections include original mathematical derivations for more advanced students, while topics like atomic and molecular term symbols, symmetry coordinates in vibrational spectroscopy, polyatomic MO theory, band theory, and Tanabe-Sugano diagrams are all covered. Readers will find many worked examples throughout the text, as well as numerous unanswered problems at varying levels of difficulty. Informative, colorfTable of ContentsPreface to the Second Edition xv Acknowledgments xvii About the Companion Website xix Chapter 1The Structure of Matter 1 1.1 Science as an Art Form 1 1.2 Atomism 5 1.3 The Anatomy of an Atom 8 1.4 The Periodic Table of the Elements 14 1.5 The Nucleus 17 1.6 Nuclear Reactions 20 1.7 Radioactive Decay and the Band of Stability 23 1.8 The Shell Model of the Nucleus 29 1.9 The Origin of the Elements 32 1.9.1 The Big Bang 32 1.9.2 Big Bang Nucleosynthesis 32 1.9.3 Stellar Nucleosynthesis 33 1.9.4 The s-Process and the r-Process 37 Exercises 39 Bibliography 41 Chapter 2The Structure of the Atom 43 2.1 The Wave-Like Properties of Light 43 2.2 The Electromagnetic Spectrum 44 2.3 The Interference of Waves 45 2.4 The Line Spectrum of Hydrogen 48 2.5 Energy Levels in Atoms 51 2.6 The Bohr Model of the Atom 54 2.6.1 In-Depth: Derivation of the Bohr Model of the Atom 56 2.7 The Wave-Like Properties of Matter 60 2.8 Circular Standing Waves and the Quantization of Angular Momentum 62 2.9 The Classical Wave Equation 64 2.10 The Particle in a Box Model 65 2.10.1 In-Depth: The Quantum Mechanical Behavior of Nanoparticles 67 2.11 The Heisenberg Uncertainty Principle 68 2.12 The Schrödinger Equation 70 2.13 The Hydrogen Atom 74 2.13.1 The Radial Wave Functions 76 2.13.2 The Angular Wave Functions 79 2.14 The Spin Quantum Number 83 2.15 The Topological Atom 85 2.15.1 In-Depth: Atomic Units 87 Exercises 88 Bibliography 90 Chapter 3The Periodicity of the Elements 91 3.1 Introduction 91 3.2 Hydrogenic Orbitals in Polyelectronic Atoms 92 3.2.1 In-Depth: The Helium Atom 94 3.3 The Quantum Structure of the Periodic Table 95 3.4 Electron Configurations 98 3.5 Shielding and Effective Nuclear Charges 102 3.6 Ionization Energy 104 3.7 Electron Affinity 109 3.8 Theoretical Radii 111 3.8.1 In-Depth: How the Radius Affects Other Properties 114 3.9 Polarizability 116 3.10 The Metal–Nonmetal Staircase 118 3.11 Global Hardness 120 3.12 Electronegativity 121 3.13 The Uniqueness Principle 124 3.14 Diagonal Properties 125 3.15 Relativistic Effects 126 3.16 The Inert-Pair Effect 128 Exercises 129 Bibliography 131 Chapter 4 An Introduction to Chemical Bonding 133 4.1 The Definition of a Chemical Bond 133 4.2 The Thermodynamic Driving Force for Bond Formation 134 4.3 Lewis Structures and Formal Charges 138 4.3.1 Rules for Drawing Lewis Structures 140 4.4 Covalent Bond Lengths and Bond Dissociation Energies 143 4.5 Resonance 144 4.6 Electronegativity and Polar Covalent Bonding 147 4.7 Types of Chemical Bonds—The Triangle of Bonding 148 4.8 Atoms in Molecules 153 Exercises 159 Bibliography 160 Chapter 5 Molecular Geometry 163 5.1 X-Ray Crystallography and the Determination of Molecular Geometry 163 5.2 Linnett’S Double Quartet Theory 165 5.3 Valence-Shell Electron Pair Repulsion Theory 170 5.3.1 Rules for Determining the Geometry of a Molecule Using VSEPD Theory 171 5.4 The Ligand Close-Packing Model 183 5.5 A Comparison of the VSEPR and LCP Models 187 Exercises 188 Bibliography 190 Chapter 6 Symmetry and Spectroscopy 191 6.1 Symmetry Elements and Symmetry Operations 191 6.1.1 Identity, E 193 6.1.2 Proper Rotation, Cn 193 6.1.3 Reflection, σ 195 6.1.4 Inversion, i 196 6.1.5 Improper Rotation, Sn 196 6.2 Symmetry Groups 199 6.3 Molecular Point Groups 203 6.3.1 In-Depth: Dipole Moments 208 6.4 Representations of Symmetry Operations 210 6.5 Character Tables 217 6.5.1 Irreducible Representations and Characters 217 6.5.2 Degenerate Representations 218 6.5.3 Rules Regarding Irreducible Representations 219 6.5.4 Conjugate Matrices and Classes 220 6.5.5 Mulliken Symbols 222 6.6 Direct Products 224 6.7 Reducible Representations and the Great Orthogonality Theorem 229 6.8 Molecular Spectroscopy and the Selection Rules 234 6.8.1 Infrared Spectroscopy 236 6.8.2 Raman Spectroscopy 240 6.8.3 A Summary of the Selection Rules for Vibrational Spectroscopy 241 6.8.4 In-Depth: Resonance Raman Spectroscopy 241 6.9 Determining the Symmetries of the Normal Modes of Vibration 243 6.10 Determining a Molecule’s Likely Geometry from Its Spectroscopy 249 6.11 Generating Symmetry Coordinates Using the Projection Operator Method 252 Exercises 263 Bibliography 269 Chapter 7 Structure and Bonding in Molecules 271 7.1 Molecules as Unique Entities 271 7.2 Valence Bond Theory 272 7.2.1 Diatomic Molecules 272 7.2.2 In-Depth: A Mathematical Treatment of VBT 273 7.2.3 Polyatomic Atoms and Hybridization 275 7.2.4 Variable Hybridization 281 7.2.5 Bent’s Rule 283 7.2.6 Hypervalent Molecules 286 7.2.7 Sigma and pi Bonding 288 7.2.8 Transition Metal Compounds 289 7.2.9 Limitations of Valence Bond Theory 293 7.3 Molecular Orbital Theory 293 7.3.1 Homonuclear Diatomics 293 7.3.2 In-Depth: A Mathematical Treatment of MOT 294 7.3.3 Mixing 302 7.3.4 Heteronuclear Diatomics 307 7.3.5 The Covalent to Ionic Transition in MOT 310 7.3.6 Polyatomic Molecules: H3− and H3+ 312 7.3.7 Correlation Diagrams and the Prediction of Molecular Geometry 316 7.3.8 A Brief Introduction to the Jahn–Teller Effect 318 7.3.9 AHn Molecules and Walsh Diagrams 320 7.3.10 In-Depth: Pearson’s Symmetry Rules for Predicting the Structures of AHn Molecules 332 7.3.11 Polyatomic Molecules Having pi Orbitals 334 7.3.12 In-Depth: Pearson’s Symmetry Rules for Predicting the Structures of AXn Molecules 340 7.3.13 pi Molecular Orbitals and Hückel Theory 342 7.3.14 Combining VB Concepts into MO Diagrams 346 7.3.15 Hypercoordinated Molecules 349 7.3.16 MO Diagrams for Transition Metal Compounds 352 7.3.17 Metal–Metal Bonding 356 7.3.18 Three-Centered, Two-Electron Bonding in Diborane 358 7.4 The Complementarity of VBT and MOT 363 Exercises 365 Bibliography 367 Chapter 8 Structure and Bonding in Solids 369 8.1 Crystal Structures 369 8.1.1 The 14 Bravais Lattices 373 8.1.2 Closest-Packed Structures 377 8.1.3 The 32 Crystallographic Point Groups and 230 Space Groups 381 8.1.4 The Determination of Crystal Structures 386 8.1.5 The Bragg Diffraction Law 386 8.1.6 Miller Planes and Indexing Powder Patterns 387 8.1.7 In-Depth: Quasicrystals 392 8.2 Metallic Bonding 393 8.2.1 The Free Electron Model of Metallic Bonding 395 8.2.2 Band Theory of Solids 399 8.2.3 Conductivity in Solids 407 8.2.4 In-Depth: the p–n Junction and n–p–n Bipolar Junction Transistor 418 8.3 Ionic Bonding 421 8.3.1 In-Depth: High-Temperature Superconductors 429 8.3.2 Lattice Enthalpies and the Born–Haber Cycle 430 8.3.3 Ionic Radii and Pauling’s Rules 436 8.3.4 In-Depth: the Silicates 449 8.3.5 Defects in Crystals 450 8.4 Types of Crystalline Solids 453 8.4.1 Intermediate Types of Bonding in Solids 457 Exercises 465 Bibliography 475 Chapter 9 Chemical Structure and Reactivity 477 9.1 Acid–Base Chemistry 478 9.1.1 Definitions of Acids and Bases 478 9.1.2 Measuring the Strengths of Acids and Bases 485 9.1.3 Factors Affecting the Strengths of Acids and Bases 489 9.1.4 Pearson’s Hard–Soft Acid–Base Theory 495 9.1.5 The Relationship Between HSAB Theory and FMO Theory 497 9.2 Redox Chemistry 499 9.2.1 The Relationship Between Acid–Base and Redox Chemistry 499 9.2.2 Rationalizing Trends in Standard Reduction Potentials 500 9.2.3 Quantum Structure Property Relationships 505 9.2.4 The Drago–Wayland Parameters 507 9.3 A Generalized View of Chemical Reactivity 509 Exercises 515 Bibliography 519 Chapter 10 Coordination Chemistry 521 10.1 An Overview of Coordination Chemistry 522 10.1.1 The Historical Development of Coordination Chemistry 523 10.1.2 Types of Ligands and Proper Nomenclature 525 10.1.3 Stability Constants 527 10.1.4 Isomers 531 10.1.5 Common Coordination Geometries 534 10.1.6 In-Depth: Five-Coordinate Compounds 537 10.1.7 The Shapes of the d-Orbitals 540 10.2 Models of Bonding in Coordination Compounds 541 10.2.1 Crystal Field Theory 541 10.2.2 Ligand Field Theory 555 10.2.3 Quantitative Measures of LF Strength 562 10.3 Electronic Spectroscopy of Coordination Compounds 572 10.3.1 Term Symbols 572 10.3.2 Tanabe–Sugano Diagrams 578 10.3.3 Electronic Absorptions and the Selection Rules 584 10.3.4 Using Tanabe–Sugano Diagrams to Interpret or Predict Electronic Spectra 587 10.3.5 The Effect of Reduced Symmetry on Electronic Transitions 593 10.3.6 The Jahn–Teller Effect 594 10.3.7 Charge Transfer Transitions 596 10.3.8 Magnetic Properties of Coordination Compounds 598 10.3.9 Diamagnetism 601 10.3.10 Paramagnetism 602 10.3.11 Antiferromagnetism 602 10.3.12 Ferromagnetism 603 10.3.13 Ferrimagnetism 604 Exercises 605 Bibliography 610 Chapter 11 Reactions of Coordination Compounds 613 11.1 An Introduction to Kinetics and Reaction Coordinate Diagrams 613 11.1.1 Zero-Order Reactions 614 11.1.2 First-Order Reactions (Irreversible) 615 11.1.3 First-Order Reactions (Reversible and Coming to Equilibrium) 616 11.1.4 Simple Second-Order Reactions (Irreversible) 617 11.1.5 Complex Second-Order Reactions (Reversible and Coming to Equilibrium) 617 11.1.6 Complex Second-Order Reactions (Irreversible) 618 11.1.7 Pseudo First-Order Reactions 618 11.1.8 Consecutive First-Order Reactions and the Steady-State Approximation 619 11.1.9 Competing Mechanisms 619 11.1.10 Summary of the Common Rate Laws 620 11.1.11The Arrhenius Equation 620 11.1.12 Activation Parameters 621 11.2 Octahedral Substitution Reactions 623 11.2.1 Associative (A) Mechanisms 624 11.2.2 Interchange (I) Mechanisms 624 11.2.3 Dissociative (D) Mechanisms 625 11.2.4 Acid and Base Catalysis 628 11.2.5 Ligand Field Activation Energies 629 11.3 Square Planar Substitution Reactions 631 11.3.1 The Trans Effect 635 11.3.2 The Effects of the Leaving Group and the Nucleophile 637 11.3.3 MOT and Square Planar Substitution 638 11.4 Electron Transfer Reactions 640 11.4.1 Outer-Sphere Electron Transfer 641 11.4.2 The Franck–Condon Principle 641 11.4.3 Marcus Theory 645 11.4.4 Inner-Sphere Electron Transfer 648 11.4.5 Mixed-Valence Compounds 652 Exercises 655 Bibliography 657 Chapter 12 Organometallic Chemistry 659 12.1 Introduction to Organometallic Chemistry 659 12.2 Electron Counting and the 18-Electron Rule 660 12.3 Carbonyl Ligands 663 12.4 Nitrosyl Ligands 668 12.5 Hydride and Dihydrogen Ligands 670 12.6 Phosphine Ligands 672 12.7 Ethylene and Related Ligands 674 12.8 Cyclopentadiene and Related Ligands 678 12.9 Carbenes, Carbynes, and Carbidos 682 Exercises 684 Bibliography 687 Chapter 13 Reactions of Organometallic Compounds 689 13.1 Some General Principles 689 13.2 Organometallic Reactions Involving Changes at the Metal 690 13.2.1 Ligand Substitution Reactions 690 13.2.2 Oxidative Addition and Reductive Elimination 692 13.3 Organometallic Reactions Involving Changes at the Ligand 705 13.3.1 Insertion and Elimination Reactions 705 13.3.2 Nucleophilic Attack on the Ligands 709 13.3.3 Electrophilic Attack on the Ligands 710 13.4 Metathesis Reactions 711 13.4.1 π-Bond Metathesis 711 13.4.2 Ziegler–Natta Polymerization of Alkenes 712 13.4.3 σ-Bond Metathesis 713 13.5 A Summary of Organometallic Reaction Mechanisms 714 13.6 Organometallic Catalytic Cycles 714 13.6.1 Catalytic Hydrogenation 716 13.6.2 Hydroformylation 717 13.6.3 The Wacker–Smidt Process 719 13.6.4 The Monsanto Acetic Acid Process 720 13.6.5 Palladium-Catalyzed Cross-Coupling Mechanisms 721 13.7 The Isolobal Analogy and the Relationship to Main Group Chemistry 725 13.8 Closing Remarks 728 Exercises 729 Bibliography 732 Appendix: A Derivation of the Classical Wave Equation 733 Bibliography 734 Appendix: B Derivation of the Schrödinger Equation 735 Appendix: C Postulates of Quantum Mechanics 739 Bibliography 741 Appendix: D Atomic Term Symbols and Spin–Orbit Coupling 743 Extracting Term Symbols Using Russell–Saunders Coupling 744 Extracting Term Symbols Using jj Coupling 747 Correlation Between RS (LS) Coupling and jj Coupling 749 Appendix: E Character Tables 751 Bibliography 763 Appendix: F Direct Product Tables 765 Bibliography 769 Appendix: G Reducing Representations by the Process of Diagonalization 771 Appendix: H Correlation Tables 775 Bibliography 781 Appendix: I The Harmonic Oscillator Model 783 Bibliography 786 Appendix: J Molecular Term Symbols 787 Bibliography 789 Appendix: K The 230 Space Groups 791 Bibliography 795 Index 797

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Book SynopsisTable of ContentsPreface to the 3rd Edition xxi Acknowledgements xxiii Section I: Fundamentals 1 1 Introduction to Reverse Osmosis: History, Challenges, and Future Directions 3 1.1 Introduction 3 1.2 A Brief History of Reverse Osmosis 5 1.2.1 Early Development 5 1.2.2 Advances 1970s–1980s 10 1.2.3 Advances from 1990s through the Early 2000s 12 1.3 Challenges and Prospects 14 1.3.1 Membrane Materials Development 15 1.3.2 Modification of Element Construction for Ultra-High Pressure or High-Temperature Operation 17 1.3.2.1 Ultra-High Pressure Spiral Wound RO 17 1.3.2.2 High-Temperature Elements 18 1.3.3 Optimization of RO Element Feed Channel Spacer 19 1.3.4 Other Advances and Future Requirements 23 1.4 Summary 26 Symbols 26 Nomenclature 27 References 27 2 Principles and Terminology 33 2.1 Semipermeable Membranes 33 2.2 Osmosis 33 2.3 Reverse Osmosis 35 2.4 Basic Performance Parameters: Recovery, Rejection, and Flux 35 2.4.1 Recovery and Concentration Factor 35 2.4.2 Rejection 38 2.4.3 Flux 41 2.4.3.1 Water Flux 41 2.4.3.2 Solute Flux 43 2.5 Filtration 43 2.5.1 Dead-End Filtration 43 2.5.2 Cross-Flow Filtration 43 2.6 Concentration Polarization 45 Symbols 47 Nomenclature 48 References 48 3 Membranes: Transport Models, Characterization, and Elements 51 3.1 Membrane Transport Models 51 3.1.1 Solution-Diffusion Transport Model 52 3.1.2 Modified Solution-Diffusion Transport Models 55 3.1.2.1 Solution-Diffusion Imperfection Model 55 3.1.2.2 Extended Solution-Diffusion Model 56 3.1.3 Pore-Based Transport Models 56 3.1.4 Models Based on Non-Equilibrium Thermodynamics 57 3.2 Polymeric Membranes 57 3.2.1 Cellulose Acetate 57 3.2.2 Linear Polyamide (Aramids) 61 3.2.3 Fully Aromatic Polyamide Composite Membranes 63 3.2.3.1 NS-100 Membrane 64 3.2.3.2 FT-30 Composite Membrane 67 3.2.4 Characterization of CA and Composite Polyamide Membranes 73 3.2.4.1 Surface Roughness 73 3.2.4.2 Zeta Potential (Surface Charge) 76 3.2.4.3 Hydrophilicity 76 3.2.5 Other Membrane Polymers 78 3.3 Membrane Elements 80 3.3.1 Plate and Frame Elements 81 3.3.2 Tubular Elements 82 3.3.3 Hollow Fine Fiber Elements 83 3.3.4 Spiral Wound Elements 84 3.4 Specialty Membranes and Elements 91 3.4.1 Specialty Membranes 91 3.4.1.1 Dry Membranes 91 3.4.1.2 Boron-Rejecting Membranes 92 3.4.2 Specialty Elements 93 3.4.2.1 Sanitary Elements 93 3.4.2.2 Disc Tube Elements 94 3.4.2.3 Vibratory Shear Enhanced Processing (VSEP) Elements and System 94 3.4.2.4 Ultra-High Pressure and High Temperature Elements 95 Symbols 95 Nomenclature 96 References 97 Section II: System Design and Engineering 103 4 Basic Design Arrangements and Concentration Polarization Guidelines 105 4.1 Arrays and Stages 105 4.1.1 Recovery per System Array 106 4.1.2 Element-By-Element Flow and Quality Distribution 108 4.1.3 Flux Guidelines 109 4.1.4 Cross-Flow Velocity Guidelines for Array Design 111 4.1.5 Concentrate Recycle 112 4.2 Passes 113 Symbols 115 Nomenclature 115 References 115 5 RO System Design Using Design Software 117 5.1 RO System Design Guidelines 117 5.2 Step-by-Step Design—Sample Problem 118 5.2.1 Step 1—Water Flux 119 5.2.2 Step 2—Membrane Selection 119 5.2.3 Step 3—Number of Elements Required 119 5.2.4 Step 4—System Array 120 5.3 Design Software 121 5.3.1 Water Application Value Engine (WAVE)— DuPont Water Solutions 123 5.3.2 IMSDesign—Hydranautics 131 5.3.3 Q+ Projection Software LGChem 135 5.4 Optimum Design Result for the Sample Problem 140 Symbols 141 Nomenclature 141 References 142 6 Design Considerations 143 6.1 Feed Water Source and Quality 143 6.1.1 Feed Water Source 143 6.1.2 Feed Water Quality and Guidelines 145 6.1.3 pH 147 6.1.3.1 pH Profile Through an RO System— Alkalinity Relationships 148 6.1.3.2 pH and Membrane Scaling Potential 148 6.1.3.3 pH Effects on Solute Rejection and Water Permeability 149 6.2 System Operations 149 6.2.1 Pressure 149 6.2.2 Compaction 151 6.2.3 Temperature 155 6.2.4 Balancing Flows 156 6.2.5 Designing for Variable Flow Demand 157 6.3 Existing RO System Design Considerations 157 6.3.1 Changing Membranes 157 6.3.1.1 Changing Membrane Area 158 6.3.1.2 Changing Membrane Types 158 6.3.1.3 Mixing Membrane Types 158 6.3.2 Increasing Recovery 159 6.3.3 Changing Feed Water Sources 160 6.3.4 Reducing Permeate Flow 161 Symbols 161 Nomenclature 161 References 162 7 RO Equipment 163 7.1 Basic RO Skid Components 163 7.1.1 Cartridge Filters 164 7.1.2 High Pressure Feed Pump 172 7.1.3 Pressure Vessels 177 7.2 Skid Design Considerations 181 7.2.1 Piping Materials of Construction 181 7.2.2 Feed Distribution Headers 183 7.2.3 Stage-by-Stage Cleaning 184 7.2.4 Sampling and Profiling/Probing Connections 187 7.2.5 Instrumentation 188 7.2.6 Controls and Data Acquisition/Analysis 193 7.2.6.1 System Control 193 7.2.6.2 Data Acquisition and Analysis 194 7.2.7 Designs for Variable Permeate Flow Demand 195 7.3 Energy Recovery Devices (ERDs) 196 7.3.1 ERD Types 196 7.3.2 ERD Applications for RO 197 7.3.2.1 Single-Stage RO 197 7.3.2.2 Multi-Stage RO 197 7.4 Clean-In-Place (CIP) Equipment 200 7.5 Mobile RO Equipment 203 Symbols 205 Nomenclature 205 References 206 Section III: Membrane Deposition and Degradation: Causes, Effects, and Mitigation via Pretreatment and Operations 207 8 Membrane Scaling 211 8.1 What is Membrane Scale? 211 8.2 Effects of Scale on Membrane Performance 212 8.3 Hardness Scales 215 8.3.1 Types of Hardness Scale 215 8.3.1.1 Carbonate-Based Hardness Scales 215 8.3.1.2 Sulfate-Based Hardness Scales 216 8.3.1.3 Other Calcium Scales: Calcium Phosphate and Calcium Fluoride 218 8.3.2 Mitigation of Hardness Scales 219 8.3.2.1 Chemical Pretreatment—Acid and Antiscalant Dosing 220 8.3.2.2 Non-Chemical Pretreatment—Sodium Softening and Nanofiltration 221 8.3.2.3 Operational Techniques—Flushing, Reverse Flow, and Closed Circuit Desalination 225 8.4 Silica Scale 226 8.4.1 Forms and Reactions of Silica 227 8.4.2 Factors Affecting Silica Scale Formation 228 8.4.3 Mitigation of Silica Scale 232 8.5 Struvite 236 8.5.1 What is Struvite? 236 8.5.2 Mitigation of Struvite 238 8.6 Scaling Mitigation Guidelines—Summary 239 Symbols 240 Nomenclature 240 References 240 9 Generalized Membrane Fouling 249 9.1 What is Membrane Fouling? 249 9.2 Classification and Measurement of Potential Foulants 250 9.2.1 Settleable and Supra-Colloidal Particulates 251 9.2.2 Colloids 252 9.2.2.1 Measurement of Colloids for RO Applications—Silt Density Index (SDI15) 252 9.2.2.2 Measure of Colloids—Modified Fouling Indices 255 9.2.2.3 Summary of Colloidal Fouling Indices 257 9.2.3 Natural Organic Material (NOM) 257 9.2.4 Other Organics 259 9.2.5 Other Foulants: Cationic Coagulants and Surfactants, and Silicone-Based Antifoams 259 9.2.6 Metals: Aluminum, Iron, Manganese, and Sulfur 259 9.2.6.1 Aluminum 259 9.2.6.2 Iron and Manganese 261 9.2.6.3 Hydrogen Sulfide 262 9.3 Effects of Fouling on Membrane Performance 265 9.3.1 Effects of Inorganic Foulants 266 9.3.1.1 Fouling with Larger Settleable and Supra-Colloidal Solids 266 9.3.1.2 Cake Layer Surface Fouling with Colloids 266 9.3.1.3 Feed Channel Fouling 268 9.3.1.4 Summary of Fouling Effects of Inorganic Particulates and Colloids 271 9.3.2 Effects of NOM and Other Organics 273 9.3.2.1 Effects of NOM—Humic Acids 273 9.3.2.2 Effects of Hydrocarbons 276 9.3.2.3 Effects of Cationic Coagulants and Surfactants 278 9.3.2.4 Summary of the Effects of Organic Surfactant and Antifoam Fouling on Membrane Performance 279 9.4 Pretreatment to Minimize Membrane Fouling 279 9.4.1 Primary Pretreatment—Clarification for Colloids and Organics (NOM) Removal 280 9.4.1.1 Coagulation 280 9.4.1.2 Flocculation 283 9.4.2 Pressure Filtration: Particles, SDI15 , and Organics Removal 283 9.4.2.1 Multimedia Pressure Filters: Suspended Solids Removal 283 9.4.2.2 Catalytic Filters: Soluble Iron, Manganese, and Hydrogen Sulfide Removal 287 9.4.2.3 Carbon Filters: TOC Removal 292 9.4.2.4 Walnut Shell Filters: Hydrocarbon Oil Removal 296 9.4.2.5 Cartridge Filters: What is Their Purpose? 299 9.4.3 Membrane Filtration Turbidity, SDI 15 , and Metal Hydroxide Removal 300 9.4.3.1 Membrane Materials and Elements 301 9.4.3.2 Membrane Filtration Operations— Polymeric Membranes 306 9.4.3.3 Membrane Filtration as Pretreatment for RO 311 9.4.4 Nanofiltration (NF): Organics and Color Removal 321 9.5 Feed Water Quality Guidelines to Minimize Membrane Fouling 323 Symbols 324 Nomenclature 324 References 326 10 RO Membrane Biofouling 335 10.1 What is RO Membrane Biofouling? 335 10.2 Factors Affecting Membrane Biofouling 339 10.2.1 Polyamide RO Membrane Characteristics 339 10.2.1.1 Membrane Surface Roughness 339 10.2.1.2 Surface Charge and Zeta Potential 339 10.2.1.3 Membrane Hydrophilicity 339 10.2.2 Feed Water Matrix 340 10.2.2.1 Concentration of Microorganisms and Nutrients 340 10.2.2.2 Feed Water Ionic Strength and pH 341 10.2.2.3 Pretreatment Antiscalants 341 10.2.2.4 Feed Water Organic Concentration and Fouling 341 10.2.3 RO System Hydrodynamics 341 10.3 Effects of Biofouling on Membrane Performance 342 10.3.1 Scale Formation 342 10.3.2 Hydrodynamic Effects on Performance 342 10.4 Measurement of Biofouling 343 10.4.1 Predictive Techniques 343 10.4.1.1 Assimilable Organic Carbon (AOC) 343 10.4.1.2 Adenosine Triphosphate (ATP) and the Biofilm Formation Rate (BFR) 344 10.4.2 Plate Counts 344 10.4.2.1 Heterotrophic Plate Counts (HPC) 344 10.4.2.2 Total Direct Counts (TDC) 345 10.5 Mitigation Techniques 345 10.5.1 Pretreatment 346 10.5.1.1 Reduction of Feed Water Nutrients and Microorganisms 346 10.5.2 Disinfection 348 10.5.2.1 Physiochemical Disinfection Method— Ultraviolet (UV) Light 348 10.5.2.2 Chemical Disinfection—Oxidizing Biocides 353 10.5.2.3 Chemical Disinfection—Non-Oxidizing Biocide 368 10.5.2.4 Biocides Not Recommended for Use with Polyamide RO Membranes 370 10.5.2.5 Chemical Disinfection—Prospective Biocides for RO 370 10.5.3 Membrane Cleaning for Biofouling Removal 373 10.5.4 Membrane “Sterilization” 375 10.5.5 Biocide Flushing 375 10.6 Biofouling and Mitigation Summary 376 Symbols 378 Nomenclature 378 References 379 11 Membrane Degradation 387 11.1 Chemical Degradation 388 11.1.1 Polyamide Layer Degradation—Oxidation 388 11.1.1.1 Chlorine 388 11.1.1.2 Chloramine 396 11.1.1.3 Chlorine Dioxide 398 11.1.2 Polysulfone Support Layer Degradation 400 11.1.3 Polyester Fabric Degradation—Hydrolysis 402 11.1.4 Prevention of Chemical Damage 402 11.1.4.1 Removal of Oxidizers 402 11.1.4.2 Protection of Membrane Support Layers 404 11.2 Mechanical Damage 404 11.2.1 Physical Membrane Damage Due to Abrasion 404 11.2.2 Physical Membrane Damage Resulting from Operational Factors 407 Symbols 412 Nomenclature 412 References 412 Section IV: System Monitoring, Normalization, and Troubleshooting 417 12 Data Collection and Normalization 419 12.1 Data Collection 419 12.2 Data Normalization 422 Symbols 427 Subscripts 428 Nomenclature 428 References 428 13 Membrane Issues and Troubleshooting 431 13.1 Observed Performance Issues 432 13.1.1 High Permeate Solute Concentration 432 13.1.1.1 Increase in Feed Water Concentration of Ions 433 13.1.1.2 Hardness Scaling 433 13.1.1.3 Membrane Damage 434 13.1.1.4 Temperature Increase/Pressure Decrease 435 13.1.1.5 System Operations and Mechanical Issues 438 13.1.2 Changes in Permeate Flow 439 13.1.3 Changes in Feed Pressure 439 13.1.4 High Differential Pressure 440 13.2 Common Causes of Performance Failures 445 13.2.1 Mechanical Failures 445 13.2.2 RO Equipment Design 445 13.2.3 Operational Problems 446 13.2.4 Feed Water Quality Issues 446 13.2.5 Membrane Issues 446 13.3 Troubleshooting Techniques 447 13.3.1 Mechanical Inspection 447 13.3.2 Cartridge Filter Inspection 447 13.3.3 Water Analyses 448 13.3.4 RO Projections 449 13.3.5 Profiling and Probing 449 13.3.5.1 Profiling 449 13.3.5.2 Probing 452 13.3.6 Normalized Data Analysis 455 13.3.7 Autopsy 457 13.3.7.1 Visual Inspection—External 458 13.3.7.2 Visual Inspection—Internal 459 Symbols 471 Nomenclature 471 References 472 Section V: Off-Line Activities: Membrane Cleaning, Flushing, and Layup 475 14 Membrane Cleaning 477 14.1 When to Clean 478 14.2 Cleaning Chemicals 479 14.2.1 High pH Cleaning 480 14.2.2 Low pH Cleaning 481 14.3 Cleaning Equipment Design 483 14.3.1 Design of the RO Skid for Effective Cleaning 483 14.3.2 Design of the Cleaning Skid 484 14.3.2.1 Cleaning Tank 484 14.3.2.2 Cartridge Filters 486 14.3.2.3 Cleaning Pump 486 14.4 Cleaning Techniques 487 14.4.1 Conventional Cleaning 487 14.4.2 Two-Phase Cleaning 489 14.4.3 Reverse Cleaning 490 14.4.4 Preventative Cleaning 490 14.4.4.1 Extrapolative Preventative Cleaning 491 14.4.4.2 Direct-Osmosis High-Salinity (DO-HS) On-Line Cleaning Technique 491 14.5 Determining the Efficacy of Cleaning 493 14.6 Clean-In-Place (CIP) Versus Offsite Cleaning 494 14.6.1 CIP 494 14.6.2 Off-Site Cleaning 494 14.7 Membrane Disinfection 495 14.7.1 Hydrogen Peroxide/Peroxyacetic Acid 495 14.7.2 Non-Oxidizing Biocides 497 14.7.2.1 DBNPA 497 14.7.2.2 Isothiazolones—CMIT/MIT 499 14.7.2.3 Other Non-Oxidizing Biocides 500 Symbols 500 Nomenclature 500 References 501 15 Controlling Off-Line Membrane Deposition via Flushing and Layup 505 15.1 Membrane Flushing 505 15.1.1 End of Service Flush 506 15.1.2 Stand-By Flush 506 15.1.3 Return to Service Flush 507 15.2 Membrane Layup 508 15.2.1 Short-Term Layup 508 15.2.2 Long-Term Layup 508 15.2.2.1 Sodium Metabisulfite (SMBS) 508 15.2.2.2 DBNPA 510 15.2.2.3 CMIT/MIT 510 15.3 Membrane Preservation 510 Nomenclature 512 References 512 Section VI: Sustainability and Future Prospects 515 16 Concentrate Management 517 16.1 Discharge 517 16.1.1 Discharge to Surface Waters 517 16.1.2 Discharge to Sewer 518 16.1.3 Discharge to On-Site Treatment Facility 518 16.1.4 Deep Well Injection 518 16.2 Land Application 519 16.2.1 Irrigation 519 16.2.2 Evaporation Ponds 519 16.3 Reuse 519 16.3.1 Direct Reuse 520 16.3.1.1 Wash Down Systems 520 16.3.1.2 Cooling Tower Make-Up 520 16.3.2 Treated Concentrate for Reuse—Brine Minimization 520 16.3.2.1 Recovery RO Systems 520 16.3.2.2 Zero Liquid Discharge (ZLD) 522 16.4 Off-Site Disposal 523 16.5 Emerging Technologies for Concentrate Management 523 16.5.1 Membrane Distillation (MD) 524 16.5.2 Forward Osmosis (FO) 526 Symbols 529 Nomenclature 529 References 529 17 High-Recovery Reverse Osmosis 531 17.1 Single-Step High Recovery Processes 531 17.1.1 Closed Circuit RO (CCRO) 531 17.1.1.1 Managing Scale Formation 533 17.1.1.2 Managing Membrane Fouling 535 17.1.1.3 Energy Savings 536 17.1.2 Osmotically-Assisted RO (OARO) 538 17.1.3 Pulse Flow RO (PFRO ™) 542 17.1.4 Feed Flow Reversal (FFR) 545 17.2 Enhanced High Recovery Processes with Interstage Solute Precipitation 548 17.2.1 Intermediate Concentrate Demineralization (ICD) 549 17.2.2 Accelerated Seeded Precipitation (ASP) 551 17.3 Multi-Step High Recovery Membrane Processes 552 17.3.1 Toward Zero Liquid Discharge (ZLD) 552 17.3.2 Challenging Waters and Wastewaters 553 17.3.3 Commercialized Multi-Step, High-Recovery RO Processes 553 17.3.3.1 Optimized Pretreatment and Unique Separation (OPUS®) 554 17.3.3.2 High Efficiency Reverse Osmosis (HERO®) 556 Symbols 558 Nomenclature 558 References 559 18 New and Alternative Membrane Materials For Sustainability 565 18.1 Specific Requirements to Improve Sustainability 566 18.1.1 Membrane Performance 566 18.1.2 Fouling Resistance 568 18.1.3 Chlorine (Oxidant) Tolerance 570 18.1.4 Energy-Water Nexus 570 18.2 Membrane Materials to Meet RO Demineralization Challenges 571 18.2.1 Modification of Polyamide Interfacial Polymerization (IP) Preparation Chemistries and Techniques 572 18.2.2 Membrane Surface Modifications 575 18.2.3 Nanotechnology and Nanoparticle Membranes 578 18.2.3.1 Carbon Nanotube (CNT) Nanocomposite Membranes 578 18.2.3.2 Thin Film Nanoparticle (TFN) Membranes 584 18.2.4 Graphene Oxide (GO)-Based Membranes 586 18.2.5 Biomimetic Aquaporin Membranes 591 Symbols 594 Nomenclature 594 References 595 Index 601

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Book SynopsisThe field of chemical engineering is undergoing a global renaissance, with new processes, equipment, and sources changing literally every day. It is a dynamic, important area of study and the basis for some of the most lucrative and integral fields of science. Introduction to Chemical Engineering offers a comprehensive overview of the concept, principles and applications of chemical engineering. It explains the distinct chemical engineering knowledge which gave rise to a general-purpose technology and broadest engineering field. The book serves as a conduit between college education and the real-world chemical engineering practice. It answers many questions students and young engineers often ask which include: How is what I studied in the classroom being applied in the industrial setting? What steps do I need to take to become a professional chemical engineer? What are the career diversities in chemical engineering and the engineering knowledge required? How is chemical enginTable of ContentsPreface xiii Foreword xv Acknowledgements xvii 1 Introduction 1 1.1 Definition of Chemical Engineering 1 1.1.2 Chemical Engineers 3 1.2 It is the Broadest Branch of Engineering 6 1.3 Chemical Engineering – a General Purpose Technology 7 1.4 Relationship Between Chemical Engineering and the Science of Chemistry 7 1.4.1 Chemical Engineers Take Chemistry Out of the Laboratory and Into the World 10 1.5 Historical Development of Chemical Engineering 12 1.5.1 Industrial Chemistry and Mechanical Engineering 13 1.5.2 Unit Operations 19 1.5.3 Chemical Engineering Science 22 1.5.4 Chemical Systems Engineering 23 1.6 Anatomy of a Chemical Engineering Plant 23 1.6.1 Overview 23 1.6.2 Process Units 25 1.6.3 Process Interconnecting Piping (Pumps, Piping & Valves) 27 1.6.4 Power/Electrical Unit 27 1.6.5 Process Laboratory 28 1.6.6 Process Control 29 1.6.7 Storage Tanks 31 1.6.8 Flare and Atmospheric Ventilation Unit 32 1.6.9 Workshop and Lay-down Area 34 1.6.10 Office Building and Others 34 1.6.11 Warehouse and Storage 35 1.6.12 Firefighting Unit 35 1.6.13 Water Generation Unit 36 1.6.14 Waste Treatment and Disposal Unit 36 2 Chemical Engineering Basic Education and Training 37 2.1 Introduction 37 2.2 Chemical Engineering Education Model 37 2.3 Objectives of Chemical Engineering Education 39 2.4 Academic Shift from Science to Engineering 40 2.5 Chemical Engineering Core Subjects and Applications 44 2.5.1 Chemical Reaction Engineering 44 2.5.1.1 Applications of Reaction Engineering 45 2.5.1.2 The Chemical Reactor 46 2.5.2 Thermodynamics for Chemical Engineers 49 2.5.2.1 Applications of Thermodynamics 50 2.5.3 Transport Phenomena (Transport Processes) 52 2.5.3.1 Applications of Transport Phenomenon 53 2.5.4 Separation Processes 55 2.5.4.1 Applications of Separation Processes 57 2.5.5 Process Dynamics and Control 60 2.5.5.1 Applications of Process Dynamics and Control 62 2.6 General Skills in Chemical Engineering Education 63 2.7 New Chemical Engineering Hire 63 2.7.1 Transitioning from the University to Professional Engineering Career 64 2.7.2 Job Assignment of a Trainee Chemical Engineer 65 2.7.3 Required On-the-Job Training and Skills 66 2.7.4 Expected Challenges for the New Chemical Engineer 68 2.7.5 Career Growth Path and Success Factors 70 2.8 Registration of Engineers 71 2.8.1 Institution of Chemical Engineers (IChemE) 72 2.8.1.1 IChemE Membership Grades 74 2.8.2 American Institution of Chemical Engineers (AIChE) 76 2.8.2.2 AIChE Membership Grades 77 3 Chemical Engineers’ Areas of Expertise 79 3.1 Introduction 79 3.2 Energy and Sustainability Segment 81 3.2.1 Petroleum Refining 82 3.2.2 Synthetic Liquid Fuels 84 3.2.2.1 Fuels from Biomaterials 84 3.2.2.2 Electricity Generation from Coal 86 3.2.3 Hydrogen Fuel 87 3.2.4 Solar and Wind Energy 88 3.2.5 Nuclear Energy 89 3.3 Food Segment 90 3.4 Biomedicine (BME)/Biotechnology/Bioengineering Segment 95 3.4.1 Biomedical or Tissue Engineering 95 3.4.2 Biotechnology-Based Chemicals 96 3.4.3 Pharmaceutical Engineering 97 3.4.4 Kidney Dialysis, Diabetes Treatment, and Drug Delivery Systems 98 3.5 Electronics Segment 99 3.6 Materials Segment 101 3.6.1 Biomaterials 103 3.6.2 Plastics Materials 103 3.6.3 Telecommunications Materials 104 3.6.4 Computer Chips Materials 105 3.6.5 New Researches 105 3.7 Space Program 106 3.8 The Environment Segment 108 3.8.1 Green Engineering 110 3.9 Summary of Industry Segments Served by Chemical Engineers 111 4 Career Diversities in Chemical Engineering 115 4.1 Introduction 115 4.2 Career Development Leading to Specialization 115 4.3 Chemical Engineering Job Titles/Options 118 4.3.1 Biochemical Engineer 118 4.3.2 Chemical and Process Engineers (Design Engineers) 119 4.3.3 Refinery Engineer 123 4.3.4 Chemical Development Engineer 124 4.3.5 Commissioning Engineer 126 4.3.6 Maintenance Engineer/Maintenance Planning Engineer/Process Maintenance Engineer 127 4.3.7 Process Control/Automation Engineer 129 4.3.8 Process Safety Engineer 131 4.3.9 Biomedical Engineer 134 4.3.10 Research & Development Engineer 136 4.3.11 Sales Engineer 138 4.3.12 Performance Control Engineer 139 4.3.13 Planning Engineer 140 4.3.14 Facilities Process/Plant Engineer 141 4.3.15 Pharmaceutical Engineer/Pharmaceutical Process Engineer 142 4.3.16 Site Engineer 144 4.3.17 Production Engineer 146 4.3.18 Pipeline Engineer 147 4.3.19 Petroleum (Production, Reservoir and Drilling) Engineer 149 4.3.20 Environment Engineer 151 4.3.21 Materials Engineer 152 4.3.22 Piping and Lay-out Engineer 153 4.3.23 Project Engineer 155 4.3.24 Cost Control/Cost Engineer 156 4.3.25 Contracts Engineer 158 4.3.26 Chemical Manufacturing Engineer 159 4.3.27 Quality Process Engineer/Quality Control Engineer 160 4.3.28 Others 162 4.4 Chemical Engineering Professional Critical Success Factors 163 5 Design and Chemical Engineering Practice 165 5.1 Introduction 165 5.2 Chemical Process and Plant Development Steps 166 5.2.1 General 166 5.2.2 Process and Technology Development 168 5.2.3 Engineering Design 177 5.2.3.1 General 177 5.2.3.2 Conceptual/Basic Engineering Design/Feasibility Study 178 5.2.3.3 Front-End Engineering Design (FEED) 185 5.2.3.4 Description of the Key Process Engineering Deliverables/Activities 187 5.2.3.5 Process Narrative/Description 197 5.2.3.6 PFD Review 198 5.2.3.7 Chemical Engineering Equipment Descriptions for PFD and P&IDs 204 5.2.3.8 Detailed Process and Engineering Design 208 5.3 Construction, Pre-Commissioning, Commissioning & Startup 217 5.4 Case Study of Chemical Engineering Equipment Design –Horizontal KOD Liquid-Vapor Separator 218 5.4.1 Introduction 218 5.4.2 Knock-Out Drum Separator Design 221 5.4.2.1 Scientific Principles Applied 221 5.4.2.2 Design Parameters 225 5.4.2.3 Design Data and Solution 228 5.4.2.4 Conclusion 241 5.5 Economic Study of a Chemical Engineering Process 241 5.6 Case History Related to the Development of a New Chemical Process 247 5.6.1 Conceptual and Front-End Engineering Design 247 5.6.2 Detailed Engineering Design and Construction 248 5.6.3 Pre-Commissioning and Commissioning 251 5.6.4 Plant Operation 252 6 Chemical Process Safety Engineering and Management 253 6.1 Introduction 253 6.2 Chemical Engineering Design for Process Safety 255 6.2.1 Selection of Inherently Safer Process Route 255 6.2.2 Process Design 256 6.2.3 Incorporating Process Safety into Process Equipment Design 259 6.2.4 Preventive and Protective Design Features 261 6.2.5 Safety Administrative or Procedural Control (Active Solutions) 264 6.3 Process Hazard Analysis Techniques 264 6.3.1 Hazard and Operability Study (HAZOP) 265 6.3.2 Process Safety Design Verification 273 6.4 Process Safety Management 274 7 Sustainability in Chemical Engineering Design 277 7.1 Introduction 277 7.2 Sustainability Model 279 7.2.1 Sustainable Raw Materials 282 7.2.2 Sustainable Manufacturing Process 283 7.2.3 Sustainable Consumption/Behavior 285 7.3 Sustainability in Chemical Engineering 286 7.4 Chemical Engineering Sustainability Design and Research Problems 290 7.4.1 Key Challenges 292 7.4.2 Technologies for Sustainability 292 8 Chemical Engineering Computer Software Tools and Applications 295 8.1 Introduction 295 8.2 Development of Chemical Engineering Computer Software 295 8.3 Process Engineering Design Software (HYSYS and PRO II) 297 8.3.1 HYSYS Process Engineering Design Software 297 8.3.2 PRO II Process Engineering Design Software 298 8.4 Statistical and Numerical Analysis Software 301 8.4.1 Engineering Computations Using Microsoft Excel 301 8.5 Computer Programming and Control Software (MATLAB and Visual Basic) 303 8.6 Computer-Aided Design & Drafting (Auto-CAD) 309 8.7 Piping and Equipment Design Software 311 8.8 Others 313 8.8.1 Presentation Software (Power Point) 313 9 Graduate Programs in Chemical Engineering 315 9.1 Introduction 315 9.1.1 Master’s Degrees 316 9.1.2 Doctoral-Level Degrees 317 9.2 Requirements for Graduate Program in Chemical Engineering 318 9.3 Options in Chemical Engineering Postgraduate Programs 319 9.3.1 Advanced Chemical Engineering with Biotechnology/Biochemical/Medical/(Bio) Engineering 320 9.3.2 Engineering Management in Chemical Engineering 321 9.3.3 Advanced Materials Engineering Option 322 9.3.4 Process Systems Engineering (PSE) Option 323 9.3.5 Chemical Process Engineering 325 9.3.6 Oil and Gas Engineering 325 9.3.7 Advanced Chemical Engineering with Polymer Engineering 326 9.3.8 Advanced Chemical Engineering with Structured Product Engineering (SPE) 327 9.3.9 Process Automation, Instrumentation and Control Option 328 9.3.10 Process and Equipment Design Option 329 9.3.11 Advanced Chemical Engineering with Information Technology and Management 329 9.3.12 Innovative and Sustainable Chemical Engineering 330 9.3.13 Catalysis, Kinetics & Reaction Engineering 330 9.4 Chemical Engineering Research Needs and Opportunities 330 References 337 Index 345

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Book SynopsisBecause of increasing antibiotic resistance, stronger antibiotics are reserved for serious active infection, paving the way for a greater use of herbal antibiotics. This book helps dentists in implementing safe and effective natural medicine therapies to complement the current practice guidelines. Oral diseases continue to be a major health problem world-wide. Oral health is integral to general well-being and relates to the quality-of-life that extends beyond the functions of the craniofacial complex. The standard Western medicine has had only limited success in the prevention of periodontal disease and in the treatment of a variety of oral diseases. The dentist needs to be more informed regarding the use, safety and effectiveness of the various traditional medicines and over-the-counter products. Herbal extracts have been used in dentistry for reducing inflammation, as antimicrobial plaque agents, for preventing release of histamine and as antiseptics, antioxidants, antimicroTable of ContentsPreface xix Foreword xxiii Part I: Natural Oral Care 1 1 Natural Oral Care in Dental Therapy: Current and Future Prospects 3Durgesh Nandini Chauhan, Prabhu Raj Singh, Kamal Shah and Nagendra Singh Chauhan 1.1 Introduction 3 1.2 Safety of Natural Oral Care 15 1.3 Advantage of Natural Oral Care 15 1.4 Limitations of Natural Oral Care 16 1.5 Future Prospects of Natural Oral Care 16 References 17 2 Herbal Products for Oral Hygiene: An Overview of Their Biological Activities 31Ummuhan Sebnem Harput 2.1 Introduction 31 2.2 Oral Hygiene and Current Treatments 33 2.3 Plants Traditionally Used in Oral Hygiene 33 2.4 Clinically Studied Plant Product for Oral Hygiene 35 2.5 In Vitro Studied Herbal Product for Oral Hygiene 37 2.6 Discussion 40 2.7 Conclusion 41 References 41 3 Go Green—Periodontal Care in the Natural Way 45Siddhartha Varma and Sameer Anil Zope 3.1 Introduction 45 3.2 Plaque Control 46 3.3 Dant Dhavani (Brushing) 46 3.4 Jivha Lekhana (Tongue Scrapping) 47 3.5 Gandusha (Gargling) or Oil Pulling 48 3.6 Oxidative Stress in Periodontitis 48 3.7 Green Tea 48 3.7.1 Components 48 3.7.2 Beneficial Effects of Various Tea Components 49 3.7.2.1 Antioxidative Effect 49 3.7.3 Role in Managing Periodontitis 49 3.8 Turmeric (Curcumin longa, Haldi) 49 3.8.1 Applications of Turmeric in Dentistry 49 3.9 Amala (Emblica officinalis, Amalaki, Phyllanthus emblica, Indian Gooseberry, Dhatriphala) 50 3.10 Anar/Dalima (Punica granatum) 50 3.11 Launga/Clove (Syzygium aromaticum) 50 3.12 Gotu Kola (Centella asiatica) 51 3.13 Amra/Mango (Magnifera indica) 51 3.14 Neem (Azadirachta indica) 51 3.15 Tulsi (Ocimum sanctum) 51 3.16 Nilgiri (Eucalyptus globulus) 52 3.17 Tila/Sesame (Sesamum indicum) 52 3.18 Triphala 52 3.19 Tea Tree Oil (Melaleuca Oil) 52 3.20 Rumi Mastagi/Mastic Gum (Pistacia lentiscus) 53 3.21 Wheat Grass 53 3.22 Goldenseal (Hydrastis canadensis) 53 3.23 Licorice Root 53 3.24 Myrrh (Commiphora glileadenis) 54 3.25 Psidium guajava 54 3.26 Ginkbo Biloba 54 3.27 Honey 54 3.28 Other Herbs Which Can Be Potentially Used for Treating Periodontitis 55 3.29 Conclusion 55 References 56 4 Role of Herbal and Natural Products in the Management of Potentially Malignant Oral Disorders 61P. Kalyana Chakravarthy, Komal Smriti and Sravan Kumar Yeturu 4.1 Introduction 61 4.2 Oral Submucous Fibrosis (OSMF) 62 4.2.1 Background 62 4.2.2 Beta-Carotene 63 4.2.3 Lycopene 64 4.2.4 Aloe Vera 65 4.2.5 Colchicine 66 4.2.6 Tea Pigments 66 4.2.7 Spirulina 66 4.2.8 Chinese Herbal Medicines 67 4.2.9 Turmeric and Derivatives, Nigella sativa, Ocimum 68 4.2.10 Polyherbal Formulations 68 4.2.11 Ayurvedic Formulations 69 4.2.12 Conclusion 69 4.3 Oral Leukoplakia (OL) 70 4.3.1 Background 70 4.3.2 Green Tea and Extracts 70 4.3.3 Beta-Carotene (βC) 71 4.3.4 Lycopene 72 4.3.5 Curcumin 72 4.3.6 Miscellaneous 73 4.3.6.1 Alpha-Tocopherol 73 4.3.6.2 Chinese Herbs 73 4.3.6.3 Bowman–Birk Inhibitor Concentrate (BBIC) 73 4.3.7 Conclusion 73 4.4 Oral Lichen Planus (OLP) 74 4.4.1 Conclusion 75 References 75 Part II: Studies of Plants Used in Dental Disease 81 5 Studies on the Anticariogenic Potential of Medicinal Plant Seed and Fruit Extracts 83Disha M. Patel, Jenabhai B. Chauhan and Kalpesh B. Ishnava 5.1 Introduction 83 5.2 Materials and Methods 85 5.2.1 Plant Materials 85 5.2.2 Preparation of Plant Seed and Fruit Extracts 85 5.2.3 Cariogenic Bacterial Strains 85 5.2.4 Preparation of Inoculums 86 5.2.5 Anticariogenic Activity Screening of Plant Extracts 87 5.2.5.1 Agar Well Diffusion Assay 87 5.2.5.2 Determination of Minimum Inhibitory Concentration (MIC) 87 5.2.6 Preliminary Phytochemical Analysis 87 5.2.7 Analytical Thin Layer Chromatography 87 5.2.8 TLC—Bioautography 88 5.3 Result and Discussion 88 5.3.1 MIC Value of Effective Plant Extracts 91 5.3.2 Phytochemical Screening and Bioautography 92 5.4 Conclusion 94 Acknowledgments 95 References 95 6 Cytotoxic and Anti-Inflammatory Effect of Turmeric and Aloe Vera in a Gingivitis Model 97Karen Esperanza Almanza-Aranda, Miguel Aranda-Fonseca, Gabriela Velazquez-Plascencia and Rene Garcia-Contreras 6.1 Introduction 97 6.2 Gingivitis and Periodontitis 98 6.3 Aloe Vera 99 6.3.1 Aloe Vera for Gingivitis and Periodontitis 100 6.3.2 Aloe Vera: Other Oral Applications 100 6.4 Turmeric 100 6.4.1 Turmeric for Gingivitis and Periodontitis 101 6.4.2 Turmeric: Other Oral Applications 101 6.5 Methodology 102 6.5.1 Materials and Methods 102 6.5.1.1 Authorization 102 6.5.1.2 Cell Culture 102 6.5.1.3 Cell Subculture 102 6.5.1.4 Cytotoxicity Test 103 6.5.1.5 Anti-Inflammatory Activity in a Gingivitis Model 103 6.5.1.6 Statistical Analysis 104 6.5.2 Results 104 6.5.2.1 Cytotoxicity 104 6.5.2.2 Anti-Inflammatory Activity in a Gingivitis Model 105 6.5.3 Discussion 105 6.5.3.1 Cytotoxicity 105 6.5.3.2 Anti-Inflammatory Activity 106 6.6 Perspectives for the Future 107 6.7 Conclusions 107 References 107 7 Effects of Bauhinia forficata Link in Reducing Streptococcus mutans Biofilm on Teeth 111Julio Cesar C. Ferreira-Filho, Mariana Leonel Martins, Andressa Temperini de Oliveira Marre, Juliana Soares de Sá Almeida, Leandro de Araújo Lobo, Adriano Gomes Cruz, Marlon Máximo de Andrade, Thiago Isidro Vieira, Maria Teresa Villela Romanos, Lucianne Cople Maia, Ana Maria Gondim Valença and Andréa Fonseca-Gonçalves 7.1 Introduction 112 7.2 Materials and Methods 112 7.2.1 Recognition, Production, and Chemical Characterization of Ethanolic Tincture From B. forficata L. Leaves 112 7.2.2 Microbial Strains and Preparation of Inoculum 113 7.2.3 Minimum Inhibitory Concentration and Minimum Bactericidal Concentration (MBC) 113 7.2.4 Kill-Kinetic Assay 113 7.2.5 Cytotoxic Potential 114 7.2.6 Tooth Selection and Preparation for Microbiologic Assay Using an S. mutans Biofilm 114 7.2.7 Statistical Analysis 115 7.3 Results and Discussion 115 7.4 Final Considerations 118 Acknowledgments 118 References 119 8 Antimicrobial Effect of a Cardamom Ethanolic Extract on Oral Biofilm: An Ex Vivo Study 121Marina Fernandes Binimeliz, Mariana Leonel Martins, Julio Cesar Campos Ferreira Filho, Lucio Mendes Cabral, Adriano Gomes da Cruz, Lucianne Cople Maia and Andréa Fonseca-Gonçalves 8.1 Introduction 121 8.2 Materials and Methods 122 8.2.1 Cardamom Extract Production 122 8.2.2 Physical Analyses 123 8.2.3 Bacterial Strains and Determination of Minimum Inhibitory Concentration and Minimum Bactericidal Concentration 123 8.2.4 Salivary Collection for Biofilm Formation (Ex Vivo Experiment) 124 8.2.5 Biofilm Formation and Treatment 124 8.2.6 Statistical Analyses 127 8.3 Results and Discussion 127 8.4 Final Considerations 129 Acknowledgment 129 References 129 9 Effect of Punica granatum Peel Extract on Growth of Candida albicans in Oral Mucosa of Diabetic Male Rats 133Maryam Eidi and Fatemeh Noorbakhsh 9.1 Introduction 133 9.2 Materials and Methods 134 9.2.1 Hydro-Methanolic Extract 134 9.2.2 Candida albicans Inoculation 134 9.2.3 Animal 134 9.2.4 Statistical Analysis 135 9.3 Results and Discussion 135 9.4 Conclusion 136 Acknowledgment 136 References 137 Part III: Applications of Natural Products in Oral Care 139 10 Effect of Oil Pulling on Oral Health 141Sameer Anil Zope and Siddhartha Varma 10.1 Introduction 141 10.2 What is Oil Pulling (Snaihik Gandoosh)? 142 10.3 How Does Oil Pulling Work? 143 10.4 Composition and Various Activities of Most Commonly Used Oils for Oil Pulling 143 10.4.1 Sesame Oil 143 10.4.1.1 Antioxidant Activity 143 10.4.1.2 Antimicrobial Activity 144 10.4.2 Coconut Oil 145 10.4.2.1 Antibacterial, Antifungal, and Antiviral Activity 145 10.4.2.2 Antinociceptive, Anti-Inflammatory, Antioxidant, and Anti-Ulcer Activity 145 10.5 Procedure of Oil Pulling 146 10.6 Effects of Oil Pulling on Oral Health 146 10.6.1 Dental Caries 146 10.6.2 Plaque-Induced Gingivitis 147 10.6.3 Halitosis 148 10.6.4 Oral Thrush 149 10.6.5 Xerostomia and Burning Mouth Syndrome 149 10.7 Drawbacks of Oil Pulling 150 References 150 11 Role of Proteolytic Enzymes in Dental Care 153P. Kalyana Chakravarthy and Sravan Kumar Yeturu 11.1 Introduction 153 11.2 Role of Proteolytic Enzymes in Oral Surgery 154 11.2.1 Post-Extraction Management 154 11.2.2 Post-Surgical Facial Ecchymosis and or Edema 155 11.2.3 Enhanced the Action of Antibiotics 156 11.2.4 Effect of Bromelain on Blood Coagulation and Fibrinolysis 156 11.3 Role of Proteolytic Enzymes in Cancer and Oral Mucositis 156 11.3.1 Cancer 156 11.3.2 Management in Oral Mucositis 157 11.4 Osteoarthritis 157 11.5 Anti-Microbial Action 158 11.6 Treatment of Dental Carious Lesions 159 11.6.1 Laboratory Studies 159 11.6.2 Clinical Studies 160 11.7 Improvement in Bonding of Orthodontics Brackets 161 11.8 Role on Biofilm Control (Plaque, Gingivitis, and Oral Malodor) 163 11.9 Extrinsic Stain Removal on the Teeth 164 11.10 Role in Replantation of the Avulsed Tooth 165 11.11 Effect of Bromelain on Immunogenicity 165 11.12 Other Possible Applications and Scope for Future Research 165 References 165 12 The Effect of Probiotic on Oral Health 171Patricia Nadelman, Marcela Baraúna Magno, Mariana Farias da Cruz, Adriano Gomes da Cruz, Matheus Melo Pithon, Andréa Fonseca-Gonçalves and Lucianne Cople Maia 12.1 Introduction 171 12.2 Overview of Oral Communities and Probiotic-Based Therapy to Oral Dysbiosis 172 12.3 Probiotics Mechanisms of Action 175 12.4 Dental Caries 176 12.4.1 Definition and Etiopathology 176 12.4.2 Probiotics and Dental Caries 179 12.4.3 Probiotic-Contained Dairy Products and Dental Caries 179 12.4.4 Probiotic Powder and Dental Caries 180 12.4.5 Probiotic Tablets and Lozenges and Dental Caries 180 12.4.6 Probiotic Mouthwashes and Dental Caries 181 12.5 Periodontal Disease 181 12.5.1 Definition and Etiopathology 181 12.5.2 Probiotics and Periodontal Diseases 182 12.6 Oral Candidiasis 183 12.6.1 Definition and Etiopathology 183 12.6.2 Probiotics and Oral Candidiasis 184 12.7 Halitosis 185 12.7.1 Definition and Etiopathology 185 12.7.2 Probiotics and Halitosis 185 12.8 Conclusion 186 Acknowledgments 186 References 186 13 Charcoal in Dentistry 197Abhilasha Thakur, Aditya Ganeshpurkar and Anupam Jaiswal 13.1 Introduction 197 13.2 Charcoal Production Methods 199 13.2.1 The Traditional Method 199 13.2.2 The Modern Methods 199 13.3 Uses of Charcoal 200 13.3.1 Medicinal Uses 200 13.3.2 Non-Medicinal Uses 201 13.4 Charcoal Containing Oral and Dental Care Products 201 13.5 Benefits of Using Charcoal Containing Oral and Dental Care Products 204 13.5.1 Removes Stains and Whitens Teeth 204 13.5.2 Removes Acidic Plaque 204 13.5.3 Gives Fresh Breath and Improves Halitosis 204 13.5.4 Remineralize Teeth 205 13.5.5 Helps Overall Dental Health 205 13.5.6 Protects From Infection 205 13.5.7 Cost Effective for Regular Basis Use 205 13.6 Precautions to be Taken While Using Charcoal Containing Oral and Dental Care Products 206 13.7 Conclusion 207 References 207 14 Propolis Benefits in Oral Health 211Mariana Leonel Martins, Karla Lorene de França Leite, Yuri Wanderley Cavalcanti, Lucianne Cople Maia and Andréa Fonseca-Gonçalves 14.1 Introduction 211 14.2 Types of Propolis 213 14.2.1 Brown Propolis 213 14.2.2 Green Propolis 214 14.2.3 Red Propolis 214 14.3 Biological Properties of Propolis 215 14.3.1 Oral Antibacterial Activity 216 14.3.2 Oral Antifungal Activity 219 14.4 Other Biological Properties of Propolis 220 14.4.1 Anti-Inflammatory Activity 220 14.4.2 Antioxidant Activity 221 14.4.3 Anticancer Activity 221 14.5 Benefits for Oral Health and Applications in Dentistry 221 14.6 Final Considerations 222 Acknowledgment 223 References 223 15 Grape Seed Extract in Dental Therapy 229Anusuya V, Ashok Kumar Jena and Jitendra Sharan 15.1 Introduction 229 15.2 Part I: Basics About Grape Seed Extracts 230 15.2.1 Components of Grape Seed Extracts 230 15.2.2 Chemical Structure 231 15.2.3 Types of GSEs 232 15.2.4 Methods of Separation 232 15.2.5 Factors Influencing the Quality and Quantity of Polyphenols in the GSEs 234 15.2.6 Physical Properties of Polyphenols 235 15.2.7 Biochemical Properties (Biological and Pharmacological) 236 15.3 Part II: Biological Applications in Dentistry 240 15.3.1 GSEs in Dental Caries 240 15.3.2 Anti-Erosive Agent (Prevention of Enamel erosion) 242 15.3.3 Antiplaque Effect 243 15.3.4 Antibacterial Agent 244 15.3.5 Biomodifier 245 15.3.6 GSEs as a Remineralizing Agent—Existing Dilemma 247 15.4 GSEs in Restorative Dentistry 248 15.4.1 GSE as Cross-Linking Agent 248 15.4.2 GSE in Bonding 249 15.5 GSEs in Endodontic Treatment 250 15.5.1 Endodontic Irrigants 250 15.5.2 Post Endodontic Restorations 251 15.6 GSEs in Periodontics 251 15.6.1 Anti-Inflammatory Action in Periodontitis 252 15.6.2 Anti-Oxidative Action in Periodontitis 252 15.6.3 Antibacterial Action Against Periodontal Pathogens 253 15.6.4 Antimicrobial Activity in Peri-Implantitis 253 15.7 GSEs in Oral Cancer 254 15.8 Conclusion 254 References 255 16 Ocimum Sanctum L: Promising Agent for Oral Health Care Management 259Trinette Fernandes, Anisha D’souza and Sujata P. Sawarkar 16.1 Introduction 259 16.2 History of Ocimum sanctum 260 16.3 Chemical Constituents of Ocimum sanctum 260 16.4 Therapeutic Significance of Ocimum in Dental Health and Preventive Care Management 262 16.5 Novel Drug Delivery Formulations and Its Application in Dentistry 264 16.5.1 Nanofibers 264 16.5.2 β-Cyclodextrin Complexes 264 16.5.3 Nanoparticles of Biocompatible Ocimum sanctum-Coated Silver Nanoparticles 264 16.6 Conclusion 265 References 266 17 Coconut Palm (Cocos nucifera L.): A Natural Gift to Humans for Dental Ministrations 271Navneet Kishore and Akhilesh Kumar Verma 17.1 Introduction 271 17.2 Traditional Usage and Ethnopharmacological Relevance 272 17.3 Pharmacological Properties of Coconut 273 17.4 Role of Coconut Tree in Dental Ministrations 274 17.5 Exemplary Potential of Coconut Water in Dentistry 275 17.6 Other Significance of Coconut 276 17.6.1 Economic Value of Coconut Leaves 276 17.6.2 Use of Coconut Heart 277 17.6.3 Significance of Spathe and Inflorescence 277 17.6.4 Potential of Coconut Fruits 277 17.6.5 Usage of Coconut Milk 277 17.6.6 Importance of Coconut Shell 277 17.6.7 Commercial Usage of Husk Fibers 278 17.6.8 Economic Importance of Coconut Stems 278 17.6.9 Convention of Coconut Roots 278 17.7 Active Constituent Identified from Coconut 278 17.8 Future Prospective 279 17.9 Conclusions 280 Acknowledgments 280 References 281 18 Salvadora persica L. (Miswak): An Effective Folklore Toothbrush 285Sujata P. Sawarkar, Anisha D’souza and Trinette Fernandes 18.1 Introduction 285 18.2 History 286 18.3 Chemical Constituents 286 18.4 Extraction, Isolation, Identification of Chemical Constituents 287 18.5 Pharmacology—Therapeutic Activity of Salvadora persica L. 287 18.5.1 Theories for Miswak Activities 287 18.5.2 Antibacterial and Antifungal 288 18.5.3 Anti-Viral Effect 290 18.5.4 Anti-Cariogenic Effect 290 18.5.5 Antiplaque Effect 290 18.5.6 Antiperiodontitis Effect 290 18.5.7 Whitening Effect 291 18.6 Conclusion 292 References 292 19 Triphala and Oral Health 297Kamal Shigli, Sushma S Nayak, Mrinal Shete, Vasanti Lagali Jirge and Veerendra Nanjwade 19.1 Introduction 297 19.2 Taxonomical Classification 298 19.3 Chief Phytoconstituents 298 19.4 Role of Triphala in Dentistry 300 19.4.1 Anti-Caries Activity 300 19.4.2 Triphala as a Root Canal Irrigant 300 19.4.3 Anti-Microbial and Anti-Oxidant Effect of Triphala 306 19.4.4 Role of Triphala in Periodontal Diseases 306 19.4.5 Triphala as a Mouth Rinse 306 19.4.6 Anti-Candida Activity of Triphala 306 19.4.7 Anti-Collagenase Activity of Triphala 306 19.5 Pharmacological Activities of Triphala and Future Research 307 19.5.1 Anticancer and Antioxidant Activity of Triphala 307 19.5.2 Wound Healing Properties 307 19.5.3 Antibacterial Activity of Triphala 307 19.5.4 Anti-Diabetic Effect 307 19.5.5 Anti-Inflammatory, Analgesic, and Antipyretic Effect 307 19.5.6 Immunomodulatory Effect 308 19.6 Public Health Importance 308 19.7 Formulation Using Triphala 308 19.6 Conclusion 308 References 309 20 Azadirachta indica (Neem): An Ancient Indian Boon to the Contemporary World of Dentistry 313Sri Chandana Tanguturi, Sumanth Gunupati and Sreenivas Nagarakanti 20.1 Introduction 313 20.2 Vital Bioactive Compounds of Neem 314 20.2.1 Nimbidin 314 20.2.2 Azadirachtin 315 20.2.3 Nimbolide 315 20.2.4 Gedunin 315 20.2.5 Mahmoodin 315 20.2.6 Tannins 315 20.2.7 Diterpenoids 315 20.3 How to Distinguish Azadirachta Indica (Neem) from its Common Adulterant Melia Azedarach 316 20.4 Therapeutic Applications of Neem 316 20.4.1 Neem as an Anti-Inflammatory, Analgesic Agent 317 20.4.2 Antioxidant Activity 317 20.4.3 Anticancerous Activity 317 20.4.4 Antimicrobial Activity 318 20.4.4.1 Antibacterial Activity 318 20.4.4.2 Antiviral Activity 318 20.4.4.3 Antifungal Activity 318 20.4.4.4 Antimalarial Activity 318 20.4.5 Wound Healing Effect 318 20.5 Applications of Neem in Dentistry 318 20.5.1 Neem in Treatment of Periodontal Diseases 319 20.5.2 Role of Neem in Endodontics 319 20.5.3 Potent Role of Neem in Preventive Dentistry 320 20.5.3.1 Application in Dental Erosion Therapy 320 20.5.3.2 Anti-Microbial Activity 320 20.5.3.3 Anticaries Activity of Neem 320 20.5.3.4 Anti-Candidiasis Property 321 20.5.3.5 Anti-Cancer Property 321 20.6 Literature Supporting the Use of Neem in Dentistry 321 20.7 Toxicity and Safety 322 20.8 Contamination and Adulteration 322 20.9 Drug Interactions 322 20.10 Neem’s Prospects in Dentistry 323 20.11 Action Points and Recommendations for Health Care Professionals 323 20.12 Conclusion 323 References 324 21 Ginger in Oral Care 329Aditya Ganeshpurkar, Abhilasha Thakur and Anupam Jaiswal 21.1 Introduction 329 21.2 Description 330 21.3 Macroscopic Characteristics 330 21.4 Pharmacognostic Standards 330 21.5 Nutrient Composition 331 21.6 Pharmacological and Medicinal Effects 331 21.6.1 Oral Analgesic Effect 331 21.6.2 Antimicrobial Effect 332 21.6.3 Anti-Carries Activity 333 21.6.4 Anti-Decay Effect 333 21.6.5 Healing Effect in Root Canal Therapy 334 21.6.6 Anti-Xerostomia Effect 334 21.6.7 Anti-Pyorrhea Effect 335 21.6.8 Anti-Thrush Effect 335 21.6.9 Anti-Herpes Effect 336 21.6.10 Tooth Polishing 336 21.6.11 Mouth Deodorizing Effect 336 21.6.12 Anticancer Effect 338 21.6.13 Protection Against Aphthous Stomatitis 338 21.6.14 Effect on Dentin Hardness 338 21.7 Pharmacokinetics 339 21.8 Toxicological Studies 339 21.9 Conclusion 339 References 340 22 Effectiveness of Allium sativum on Bacterial Oral Infection 345Vesna Karic, Anupam Jaiswal, Heidi Abrahamse, Abhilasha Thakur and Aditya Ganeshpurkar 22.1 Introduction 345 22.1.1 History and Origin of Garlic 347 22.1.2 Medicinal Values of Garlic 348 22.2 Types of Allium sativum 349 22.2.1 Allium sativum Ophisocorodon/Hard-Necked Garlic 349 22.2.2 Allium sativum Sativum/Soft-Necked Garlic 349 22.3 Chemical Constituents 351 22.3.1 Allicin 351 22.3.2 Ajoenes 351 22.3.3 Alliin 351 22.4 Dental Infections and Epidemiology 352 22.5 Dental Infection and Antibiotic Resistance 352 22.6 The Antibacterial Application of Garlic in Dentistry 354 22.6.1 The Use of Garlic to Treat Oral Infections 354 22.6.1.1 Periodontitis 354 22.6.1.2 Pediatric Endodontitis 356 22.6.1.3 Dental Caries 357 22.6.1.4 Denture Stomatitis 358 22.6.1.5 Protection Against Fibrosis 359 22.6.1.6 Garlic Chewing Gum 359 22.6.1.7 Garlic Used as a Breath-Freshening Agent 359 22.7 Additional Use of Garlic in Dentistry—Oral Cancer 360 22.7.1 High Blood Pressure 361 22.7.2 Skin Disorders 362 22.7.3 Anti-Allergic 362 22.7.4 Anti-Obesity 362 22.8 Garlic Mechanism of Action 362 22.9 Conclusions and Recommendations 362 Acknowledgments 364 References 364 Part IV: Ethnobotany and Ethanopharmacology 371 23 Curative Plants Worn in the Healing of Mouth Evils 373P. Shivakumar Singh, Pindi Pavan Kumar and D. Srinivasulu 23.1 Introduction 373 23.2 Materials and Methods 374 23.3 Results and Discussion 375 23.4 Conclusion 381 Acknowledgment 381 References 381 24 Ethnopharmacological Applications of Chewing Sticks on Oral Health Care 383E. A. Akaji and U. Otakhoigbogie 24.1 Introduction 383 24.1.1 Background 383 24.1.2 Historical Perspectives 384 24.1.3 Sources and Types of Chewing Sticks 384 24.2 Applications of Chewing Sticks in Oral Health Care 384 24.2.1 Chewing Sticks for Oral Hygiene 384 24.2.2 Ethnopharmacological Applications of Chewing Sticks in Oral Health 387 24.2.2.1 Dental Caries (Tooth Decay) 387 24.2.2.2 Periodontal Disease 389 24.2.2.3 Oral Candidiasis 389 24.2.2.4 Oral Ulcers and Halitosis 390 24.2.2.5 Other Oral Conditions 390 24.3 Conclusions 390 References 391 25 Ethnomedicine and Ethnopharmacology for Dental Diseases in Indochina 393Viroj Wiwanitkit 25.1 Introduction 393 25.2 Ethnomedicine and Ethnopharmacology in Indochina 394 25.3 Locally Available Naturally Derived Dental Products in Indochina 396 25.4 Ethnopharmacology for Dental Diseases in Indochina 397 25.5 Ethnomedicine for Dental Diseases in Indochina 402 25.6 Future Trend of Ethnomedicine and Ethnopharmacology for Dental Diseases in Indochina 403 25.7 Conclusion 404 References 404 26 Traditional Medicinal Plants Used in Anti-Halitosis 407P. Shivakumar Singh, Pindi Pavan Kumar and D. Srinivasulu 26.1 Introduction 407 26.2 Materials and Methods 408 26.3 Results and Discussion 409 26.4 Conclusion 412 Acknowledgment 413 References 413 Index 415

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Book SynopsisTable of Contents1 Space 1.1 The exponential function 1.2 The two-dimensional plane 1.3 Calculus and operators 1.4 Function space for rotation in a plane 1.5 Three-dimensional space 1.6 Spinors 1.7 Pauli matrices 1.8 Rotation matrices 1.9 Projections 1.10 Function space in three dimensions 1.11 Fourier transform and translation 1.12 Dual bases 1.13 Dual basis obtained via matrix inversion 1.14 The unit sphere 1.15 Function space for rotation in three dimensions 1.16 Higher-order operators 1.17 Operator techniques for angular momentum 1.18 Chapter summary 2 Spacetime 2.1 Introduction 2.2 The four-vector 2.3 Four-momentum for particles 2.4 Function space for spacetime 2.5 Spacetime spinors 2.6 γ matrices 2.7 Motion in an electromagnetic field 2.8 Creation of electromagnetic fields: Maxwell’s equations 2.9 Nonrelativistic limit of Dirac equation 2.10 Interactions between particles and electromagnetic field 2.11 Spin-orbit coupling 2.12 Spin-orbit coupling 2.13 Schrödinger/Heisenberg equations and propagators 2.14 Electroweak interaction 3 Single-particle problems 3.1 Introduction 3.2 Quantum harmonic oscillator 3.3 Perturbed harmonic oscillator 3.4 Two-dimensional harmonic oscillator via differential equation 3.5 Two-dimensional harmonic oscillator via unit vectors 3.6 Radial equation for hydrogen atom 3.7 Transitions on atoms 3.8 Molecules and solids 3.9 Periodic potential in a solid 3.10 Scattering from local potential 3.11 Single state and a band 4 Many-particle systems 4.1 Introduction 4.2 Wavefunctions for many-body systems 4.3 Quantum statistics 4.4 The Fermi sea in solids 4.5 Tensors 4.6 Electon interactions on an atom 4.7 Strong interaction: mesons 4.8 Strong interaction: baryon 4.9 Nuclear structure 5 Collective and emergent phenomena 5.1 Magnetism 5.2 Superconductivity 5.3 Mass generation 5.4 Symmetry breaking 5.5 Screening in solids 5.6 Plasmons in solids 5.7 Superfluidity

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Book SynopsisPhotocatalysts in Advanced Oxidation Processes for Wastewater Treatment comprehensively covers a range of topics aiming to promote the implementation of photocatalysis at large scale through provision of facile and green methods for catalysts synthesis and elucidation of pollutants degradation mechanisms. This book is divided into two main parts namely Synthesis of effective photocatalysts (Part I) and Mechanisms of the photocatalytic degradation of various pollutants (Part II). The first part focuses on the exploration of various strategies to synthesize sustainable and effective photocatalysts. The second part of the book provides an insights into the photocatalytic degradation mechanisms and pathways under ultraviolet and visible light irradiation, as well as the challenges faced by this technology and its future prospects.Table of ContentsPreface xi Part 1: Synthesis of Effective Photocatalysts 1 1 Biogenic Synthesis of Metal Oxide Nanoparticle Semiconductors for Wastewater Treatment 3Nkgaestsi M. Ngoepe, Mpitloane J. Hato, Kwena D. Modibane and Nomso C. Hintsho-Mbita 1.1 Introduction 4 1.2 Classifications of Semiconductor Nanostructured Materials 6 1.2.1 Zinc Oxide (ZnO) Nanostructures 6 1.2.2 Titanium Dioxide Nanostructures 7 1.3 Biological Synthesis of ZnO and TiO2 Nanostructures 9 1.3.1 Synthesis of ZnO and TiO2 Using Bacteria 10 1.3.2 Preparation of ZnO and TiO2 from Plants 13 1.4 Photocatalytic Degradation of Dyes 17 1.5 Challenges of Photocatalysis 22 1.6 Conclusions: Future and Scope 23 Acknowledgments 24 References 24 2 Wastewater Treatment: Synthesis of Effective Photocatalysts Through Novel Approaches 33Tahira Qureshi, Monireh Bakhshpour, Kemal Çetin, Aykut Arif Topçu and Adil Denizli List of Abbreviations 34 2.1 Introduction 35 2.1.1 Miscellaneous Methods in Wastewater Treatment 36 2.1.2 Homogeneous Photo-Fenton for Wastewater Treatment 38 2.1.3 Heterogeneous Photocatalysis Processes for Wastewater Treatment 42 2.2 Synthesis of Photocatalytic Materials 44 2.2.1 Sol–Gel Synthesis 44 2.2.2 Hydrothermal Synthesis Process 46 2.2.3 Solvothermal Synthesis Process 47 2.2.4 Direct Oxidation Synthesis 48 2.2.5 Sonochemical Synthesis Method 48 2.2.6 Chemical Vapor Deposition Synthesis Method 49 2.2.7 Physical Vapor Deposition 50 2.2.8 Microwave Synthesis Process 51 2.2.9 Electrochemical Deposition Synthesis Process 52 2.3 Support Materials for Photocatalysis 53 2.3.1 Zeolites 53 2.3.2 Clays 54 2.3.3 Carbon Nanotubes (CNTs) 54 2.3.4 Additional Supports 55 2.4 Life Cycle Assessment of Photocatalytic Water Treatment Processes 56 2.5 Summary 57 References 58 3 Metal–Organic Frameworks as Possible Candidates for Photocatalytic Degradation of Dyes in Wastewater 65Thabiso C. Maponya, Mpitloane J. Hato, Kwena D. Modibane and Katlego Makgopa 3.1 Introduction 66 3.2 Wastewater Treatment Methods 67 3.3 Photocatalysis 69 3.3.1 Background 69 3.3.2 Photocatalysts for Wastewater Treatment 69 3.4 Metal–Organic Frameworks 71 3.4.1 History and Discovery of MOFs 72 3.4.2 Structure of Metal–Organic Frameworks 72 3.4.3 Preparation of Metal–Organic Frameworks 75 3.4.3.1 Hydro/Solvothermal Synthesis 75 3.4.3.2 Microwave-Assisted Synthesis 76 3.4.3.3 Mechanochemical Process 77 3.4.3.4 Post Synthesis 78 3.4.5 Applications 79 3.4.6 MOFs for Photocatalytic Degradation 79 3.5 Conclusions 83 Acknowledgments 83 References 84 Part 2: Mechanisms of the Photocatalytic Degradation of Various Pollutants 93 4 Photocatalytic Degradation of Toxic Pesticides: Mechanistic Insights 95Akeem Adeyemi Oladipo, Mustafa Gazi, Ayodeji Olugbenga Ifebajo, Adewale Sulaiman Oladipo and Edith Odinaka Ahaka 4.1 Introduction 96 4.1.1 Global Production, Consumption, and Distribution of Pesticides 97 4.1.2 Pesticide Remediation Technologies 98 4.2 Advanced Oxidation Processes 99 4.2.1 Heterogeneous Advanced Oxidation Processes 101 4.2.2 Homogeneous Advanced Oxidation Processes 102 4.3 Photobased Treatment Approaches for Pesticides 103 4.3.1 Photolytic Degradation of Pesticides 104 4.3.2 Photolytic Degradation of Pesticides Combined With Oxidants 106 4.4 Photocatalytic Degradation of Pesticides 106 4.4.1 Metal Oxide Semiconductors for Photocatalytic Degradation of Pesticides 114 4.4.2 Photocatalytic Degradation of Pesticides by Metal–Organic Frameworks 124 4.5 Mechanistic Insights Into Photocatalytic Degradation of Pesticides 128 4.6 Conclusions and Future Directions 131 References 132 5 Sustainable Photo- and Bio-Catalysts for Wastewater Treatment 139Nour Sh. El-Gendy and Hussein N. Nassar 5.1 Introduction 139 5.2 Natural Apatite and Its Applications 141 5.3 Natural Apatite as a Photo-Bio-Catalyst for Wastewater Treatment 141 5.3.1 Photodegradation by Pure Apatite 142 5.3.2 Photodegradation by Titania/Apatite Nanocomposite 143 5.3.3 Photodegradation by Zinicate/Apatite Nanocomposite 147 5.3.4 Photodegradation by Other Metal/Apatite Nanocomposite 152 5.4 Photodegradation of Pharmaceutical Pollutants 157 5.5 Challenges and Opportunities 159 References 160 6 Recent Advancement in Visible-Light-Responsive Photocatalysts in Heterogeneous Photocatalytic Water Treatment Technology 167Sadanand Pandey, Kotesh Kumar Mandari, Joonwoo Kim, Misook Kang and Elvis Fosso-Kankeu 6.1 Introduction 168 6.1.1 Technologies for Dye Removal From Contaminated Water 170 6.1.2 Photocatalysis 171 6.1.3 General Mechanism of Photocatalysis 172 6.1.4 Parameters Affecting the Photocatalytic Degradation of Dyes 177 6.1.4.1 Influence of pH on Photocatalytic Degradation of Dyes in Wastewaters 177 6.1.4.2 Crystal Composition and Catalyst Type 181 6.1.4.3 Pollutant Type and Concentration 183 6.1.4.4 Influence of Catalyst Loading 184 6.2 Conclusion and Future Research 186 Funding 187 Acknowledgments 187 References 187 7 Degradation Mechanism of Organic Dyes by Effective Transition Metal Oxide 197Barkha Rani, G Thamizharasan, Arpan Kumar Nayak and Niroj Kumar Sahu 7.1 Introduction 198 7.2 Types of Dyes and Their Sources 198 7.3 Environmental Hazards 199 7.4 Conventional Dye Degradation Process 200 7.4.1 Coagulation/Flocculation Process 201 7.4.2 Membrane Separation Process 201 7.4.3 Ion Exchange Process 202 7.4.4 Adsorption on Activated Carbon 202 7.4.5 Advance Oxidation Process 202 7.5 Mechanism of Photocatalytic Dye Degradation 202 7.5.1 Adsorption Process 203 7.5.1.1 Langmuir Isotherm 203 7.5.1.2 Freundlich Isotherm 204 7.5.1.3 Temkin Isotherm 204 7.5.1.4 Dubinin Radushkevich Isotherm 205 7.5.2 Photocatalytic Dye Degradation 206 7.6 Nanomaterial Aspect for Dye Degradation Process 207 7.7 Transition Metal Oxide-Based Nanomaterials for Dye Degradation 208 7.7.1 Co-Precipitation Process 210 7.7.2 Hydrothermal/Solvothermal Technique 211 7.7.3 Thermal Decomposition Process 211 7.8 Challenges and Future Scope 219 7.9 Conclusions 220 References 221 8 Factors Influencing the Photocatalytic Activity of Photocatalysts in Wastewater Treatment 229Rashi Gusain, Neeraj Kumar and Suprakas Sinha Ray 8.1 Introduction 230 8.2 Photocatalysis in Water Treatment 232 8.3 General Mechanism of Photocatalysis 233 8.4 Parameters Influencing Photocatalysis 235 8.4.1 Amount of Catalyst 235 8.4.2 Amount of Pollutant 235 8.4.3 Effect of pH 236 8.4.4 Effect of Oxidants 237 8.4.4.1 Effect of H2O2 239 8.4.4.2 Effect of KBrO3 240 8.4.4.3 Effect of (NH4)2S2O8 and K2S2O8 240 8.4.5 Effect of Temperature 241 8.4.6 Effect of Reaction Light Intensity 244 8.4.7 Effect of Doping 245 8.4.7.1 Noble Metal Doping 247 8.4.7.2 Metal Doping 248 8.4.7.3 Rare Earth Metal Doping 250 8.4.7.4 Non-Metallic Doping 251 8.4.7.5 Co-Doping 253 8.4.7.6 Self-Doping 253 8.4.8 Effect of Inorganic Ions 254 8.4.9 Effect of Size, Morphology, and Surface Area 255 8.5 Summary 257 Acknowledgment 258 References 258 9 Removal of Free Cyanide by a Green Photocatalyst ZnO Nanoparticle Synthesized via Eucalyptus globulus Leaves 271L.C. Razanamahandry, J. Sackey, C.M. Furqan, S.K.O. Ntwampe, E. Fosso-Kankeu, E. Manikandan and M. Maaza List of Abbreviations 272 9.1 Introduction 272 9.2 Materials and Methods 274 9.2.1 Eucalyptus globulus Leaves Extract Preparation 274 9.2.2 Zinc Oxide Nanoparticle Synthesis 274 9.2.3 Zinc Oxide Characterizations 274 9.2.4 Free Cyanide Removal 275 9.3 Results and Discussion 276 9.3.1 Zinc Oxide Nanoparticle Characteristics 276 9.3.2 Free Cyanide Adsorption 281 9.4 Conclusion 284 References 285 Index 289

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Book SynopsisGeospatial technology (GT) is a combination of geographic information systems (GIS), remote sensing (RS), and the global position system (GPS) for the mapping, visualization, and analysis of natural resource planning. Nowadays, GIS is widely used throughout the globe for a wide range of applications. GIS is a system that combines locations, geography, hardware, software, statistics, planning, and digital mapping. GIS is a system in which one can store, manipulate, analyze, and visualize or display spatial data. The basic components of GIS are hardware, software, data, input, and manpower. One can develop spatial, temporal, and dynamic models using GIS, which may help in effective decision-making tools. Geospatial information is a computer programme that collects, stores, verifies, and presents information on locations on the surface of the Earth. Geographical information systems play a key role in sustainable development. Geospatial technology combines traditional database op

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Book SynopsisThis book details recent advances in the applications of nanobiofertilizers as a substitute for synthetic fertilizers in boosting food production. With the steady rise of the world's population, there is a need to increase the production of safe and nutritious food. The constant loss of arable land, as a result of various anthropogenic activities from human action, has become a threat to global biodiversity and ecosystems. Additionally, the issue of climate change has imposed many obstacles to increasing agricultural productivity, especially from biotic and abiotic stressors and temperature-limited environments, such as in high altitudes or seasonally hot regions. Because of these factors, there is a need to adopt sustainable and modern technologies that can boost and improve the rate of food production. One of the cheapest means of enhancing sustainable food production is to explore natural and unlimited beneficial microorganisms, particularly those that can increase the level of soi

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Book SynopsisComprehensive resource covering computational tools and techniques for the development of cost-effective drugs to combat diseases, with specific disease examples Computational Methods for Rational Drug Design covers the tools and techniques of drug design with applications to the discovery of small molecule-based therapeutics, detailing methodologies and practical applications and addressing the challenges of techniques like AI/ML and drug design for unknown receptor structures. Divided into 23 chapters, the contributors address various cutting-edge areas of therapeutic importance such as neurodegenerative disorders, cancer, multi-drug resistant bacterial infections, inflammatory diseases, and viral infections. Edited by a highly qualified academic with significant research contributions to the field, Computational Methods for Rational Drug Design explores topics including: Computer-assisted methods and tools for structure- and ligand-based drug design, virtual screening and lead disco

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Book SynopsisUnderstand the future of clean energy with this timely introduction Hydrogen is a clean fuel that can be used to power fuel cells whose only biproduct is water. It is a flexible energy carrier that can be produced from a range of natural processes and domestic energy resources, and it has potentially widespread applications. In an era defined by global climate change and the search for sustainable energy, hydrogen energetics is a field with transformative potential. Hydrogen Energetics provides a cutting-edge overview of current research and applications in this vital field. It offers an overview of hydrogen energy usage, including both positives and negatives, with a particular emphasis on the economic and infrastructural dimensions. Its up-to-date view of the state of the field and balance of theoretical and practical knowledge make it an essential resource. Hydrogen Energetics readers will also find: A one-stop resource for understanding the

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Book SynopsisSmart Grids as Cyber Physical Systems, a new two-volume set from Wiley-Scrivener, provides a comprehensive overview of the fundamental security of supervisory control and data acquisition (SCADA) systems, offering clarity on specific operating and security issues that may arise that deteriorate the overall operation and efficiency of smart grid systems. It also provides techniques to monitor and protect systems, as well as aids for designing a threat-free system. This title discusses how artificial intelligence (AI) may be extensively deployed in the prediction of energy generation, electric grid-related line loss prediction, load forecasting, and for predicting equipment failure prevention. It also discusses power generation systems, building service systems, and explores advances in machine learning, artificial neural networks, fuzzy logic, genetic algorithms, and hybrid mechanisms. Additionally, we will explore research contribution of experts in CPS infrastructure systems

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Book SynopsisComprehensive approach to designing safety valves used in oil and gas plants, featuring case studies throughout the text Safety Valves in Oil and Gas Plants delivers a comprehensive overview of the various aspects of safety valves in the oil and gas industries, including their design and accessories. To help reinforce learning, case studies included throughout the text and multiple-choice questions and answers are included at the end of each chapter. Written by an industry veteran with extensive publishing and speaking experience, this book includes information on: Design details such as sizing and reaction forces, inspection, maintenance, codes and standards, and packing and preservationDaily industrial challenges regarding the resizing of existing pressure safety valves (PSVs) or the proper sizing of new PSVsProcess safety standards for all new operative installations or existing ones in the chemical industryCatalysts that can increase the pressure of fluids, including human error an

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Book SynopsisShowing how ideas about race and reproduction were central to early sustainability thinking, Abby Goode unearths an alternative environmental archive that ranges from gothic novels to Black nationalist manifestos, from Waco, Texas, to the West Indies, from city tenements to White House kitchen gardens.

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Book SynopsisThis volume explores the chemical basis of lithography, with the goal of deconstructing lithography into its essential chemical principles and to situate its various aspects in specific fields of chemistry. It is organized in five parts, comprising: lithographic process chemistry, lithographic materials chemistry, lithographic photo- and radiation chemistry, chemistry of lithographic imaging mechanisms, and lithographic process-induced chemistry.With the successful implementation of EUV lithography in manufacturing at the 10-nm and 7-nm technology nodes, patterning challenges have shifted from resolution to mostly noise and sensitivity. This is a regime where the resist suffers from increased stochastic variation and the attendant effects of shot noise—a consequence of the discrete nature of photons, which, at very low number per exposure pixel, show increased variability in the response of the resist relative to its mean. Noise in this instance is the natural variation in lithographic pattern placement, shape, and size. It causes line edge roughness, line width variation, and stochastic defects.Ultimately, these patterning issues have their origin in the materials used in lithography. Chemistry underpins the essence, functions, and properties of these materials. We therefore examine in the second volume of the present edition the role of stochastics in EUV lithography in far greater detail than we did in the first edition. Equally significant, the book develops a chemistry and lithography interaction matrix, which is used as a device to explore how various aspects and practices of photolithography (or optical lithography), electron-beam lithography, ion-beam lithography, EUV lithography, imprint lithography, directed self-assembly lithography, and proximal probe lithography derive from established chemical principles and phenomena.Table of Contents Lithographic Process Chemistry Lithographic Materials Chemistry Lithographic Photochemistry and Radiation Chemistry Chemistry of Lithographic Imaging Mechanisms Lithographic-Process-Induced Chemistry

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Book SynopsisThe use of pesticides is a subject of intense public debate. Whether in media, legal, terminological or political terms, the subject is migrating from a strictly agricultural universe to a global, social problem. Given the complexity of current and future issues, Pesticides provides a forum for multidisciplinary dialogue and debate on plant protection products within the humanities and social sciences. It presents reflections on the discursive and argumentative activity of the various players and arenas in the debate, and on the development and testing of consensus through controversy and counter-discourse. This book examines the scientific and communication practices of economic and industrial players (influence and lobbying), agricultural practices in terms of pesticide exposure, and the legal proceedings and initiatives of local authorities and associations. It also seeks to shed light on the media coverage of health and environmental issues surrounding pesticides.

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Book SynopsisFollowing progress in schizophrenia since 2015, this new volume covers the advancing knowledge of scientists and clinicians in drug discovery. The book enhances our understanding of pathological neural communication between the peripheral nervous system (PNS) and central nervous system (CNS) in patients with schizophrenia. Although 75% of neural information passes through the PNS, interactions between the PNS and CNS in schizophrenia remain understudied. Consequently, the current view of schizophrenia requires improvement to facilitate diagnostics and drug development.In this context, this second volume presents current evidence that views schizophrenia as a mild abnormal maldevelopment of the entire body. This includes impaired functioning of sensory systems (e.g. olfaction), and changes in blood biochemistry and the autonomic nervous system (e.g. vagal body-to-brain communication). Alternative approaches to prevent and treat schizophrenia involve advanced techniques such as opto- and chemo-genetics, as well as local administration of compounds (e.g. intranasally) targeting PNS-based cellular and molecular pathways. Chapters focus on the genetics of schizophrenia, leveraging technological advancements in high-throughput genomics and computational biology. These tools help identify novel therapeutic targets and enable the safe repurposing of existing medications.The book emphasizes the need to develop new strategies for creating more suitable animal models of schizophrenia, considering the crucial role of the PNS in the disorder?s aetiology. While PNS-based mechanisms are often overlooked, discussing them with caution is essential. Systematically accumulating knowledge about PNS-CNS pathological mechanisms will benefit psychiatric neuroscience, offering fresh perspectives for drug discovery.Overall, the book synthesizes expert opinions from academia and clinical studies, covering progress in genetics/pharmacogenetics, molecular and cellular neuroscience, neurobiology, pharmacology and animal models.

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Book SynopsisSeit dem Erscheinen der ersten Auflage 1994 ist das Lehrbuch „Hämatologie” nicht mehr aus dem Ausbildungsangebot für Medizinisch-Technische Assistenten wegzudenken. Die dritte Auflage integriert nicht nur den neuesten Stand der MTA-Ausbildung, sondern präsentiert sich mit mehr didaktischen Merkmalen und einem übersichtlicheren Layout. Darüber hinaus wurden die folgenden Themen erweitert bzw. eingeführt: • Hämatologische Cytogenetik • Hämatologische Molekulargenetik • Antikörper-Diff erenzierung • Nachweis von Kälte-Agglutininen • Säure-Elution • Interne und externe Qualitätskontrolle in der Blutgruppenserologie.Table of ContentsGeleitwort XV Geleitwort XVII Abkürzungen XIX I Theoretischer Teil 1 1 Hämatologie 3 2 Das Blut als Organ 5 2.1 Blutmenge 5 2.2 Blut und Blutzusammensetzung 7 2.3 Aufgaben der Blutzellen 12 3 Blutbildung 15 3.1 Morphologie der Zellen 15 3.2 Zellteilungen 17 3.3 Ursprung und Entwicklung der Blutzellen (Ontogenese) 20 3.4 Blutentwicklung 22 3.5 Entwicklung der Blutzellen 23 4 Erythrozytenformen 47 4.1 Unterschiedliche Gestalt der Erythrozyten 47 4.2 Unterschiedliche Anfärbbarkeit der Erythrozyten 51 4.3 Anordnung der Erythrozyten 52 4.4 Veränderungen im roten Blutbild 53 5 Anämien55 5.1 Definition 55 5.2 Einteilung der Anämie 56 5.3 Hämolytische Anämien 58 5.4 Hämoglobinbildungsstörung 75 5.5 Anämie durch Einengung des Knochenmarks 81 5.6 Aplastische Anämie (AA) 82 6 Polyzythämien 83 6.1 Polyzythämia vera (PV) 83 6.2 Polyglobulie 85 6.3 Veränderung der Thrombozyten 86 7 Leukozyten89 7.1 Leukozytose 89 7.2 Toxische Veränderungen der neutrophilen Granulozyten 93 7.3 Leukozytenanomalien 93 7.4 Leukopenie 94 7.5 Agranulozytose 95 8 Lymphatische Reaktionen 97 8.1 Infektiöse Mononukleose (Pfeiffer’sches Drüsenfieber) 97 9 Erkrankungen des blutbildenden Systems 101 9.1 Myeloproliferative Syndrome 102 9.2 Akute Leukämien 113 9.3 Myelodysplastisches Syndrom (MDS) 126 10 Maligne Lymphome 137 10.1 Morbus Hodgkin (Hodgkin-Lymphom) 137 10.2 Non-Hodgkin-Lymphome 142 10.3 T-Zell-Lymphome 168 10.4 Kryoglobulinämie 168 II Praktischer Teil 171 11 Einleitung 173 12 Blutentnahme aus dem Kapillarnetz 175 13 Blutentnahme aus der Vene 177 14 Blutkörperchen-Senkungsgeschwindigkeit 181 15 Hämatokrit 183 16 Hämoglobin 187 17 Bestimmung der „Anzahl der Blutzellen“ 191 17.1 Zählkammer-Methode: Erythrozyten, Leukozyten, Thrombozyten 191 17.2 Automatisierte Zellzählung 194 17.3 Automatische Leukozytendifferenzierung 195 17.4 Pipetten 196 18 Erythrozytenzählung 201 19 Leukozytenzählung 205 20 Thrombozytenzählung 207 21 Zählungen mit der Fuchs-Rosenthal-Zählkammer 211 21.1 Prinzip der Eosinophilenzählung 211 21.2 Prinzip der Liquorzellzählung 212 22 Erythrozytometrische Werte 215 23 Differenzialblutbild 219 23.1 Ausstrichtechnik 219 23.2 Färbung nach Pappenheim 221 23.3 Differenzierung der Blutzellen 225 24 Isolierung der Lymphozyten 231 24.1 Immunfluoreszenzuntersuchungen 232 24.2 HLA-Typisierung 233 25 Mononukleose-Test 235 25.1 Objektträger-Agglutinationsteste im Serum 235 25.2 Schnelltest mit Blut zum Nachweis des Pfeiffer’schen Drüsenfiebers 237 26 Spezialfärbungen 239 26.1 Retikulozytenzählung 239 26.2 Färbung der Heinz’schen Innenkörper 241 26.3 Eisennachweis 244 26.4 Fetales Hämoglobin 245 26.5 Haptoglobin-Bestimmung 246 26.6 Sichelzellen-Nachweis 247 26.7 Säure-Serum-Test nach HAM 248 26.8 Kugelzellen-Nachweis 249 27 Price-Jones-Kurve 251 28 Osmotische Resistenz der Erythrozyten 253 29 Zytochemische Färbungen 257 29.1 Alkalische Leukozytenphosphatase (ALPA) 257 29.2 Peroxidase-Reaktion (POX) 260 29.3 Alpha-Naphthylacetat-Esterase-Reaktion (Est) 262 29.4 Periodic-Acid-Schiff-Reaktion (PAS) 264 29.5 Saure-Phosphatase-Reaktion (SP) 266 30 Immunchemische Methoden 271 30.1 Radiale Immundiffusion 271 30.2 Immunelektrophorese 271 30.3 Immunfixationselektrophorese 272 31 Knochenmarksuntersuchung 275 31.1 Indikationen für die Durchführung einer Knochenmarksuntersuchung 275 31.2 Knochenmarkpunktion 276 31.3 Modifizierte Pappenheim-Färbung des Knochenmarks 278 31.4 Zytologische Knochenmarksuntersuchung 279 31.5 Zellverteilung im Knochenmark 279 31.6 Menge des Knochenmarks 280 31.7 Zellen des Knochenmarks 281 31.8 Myelogramm 288 32 Flow-Zytometrie 293 32.1 Prinzip 293 32.2 Fluoreszenzmessungen 294 32.3 Signalverarbeitung und Messung 295 32.4 Anwendung in der klinischen Diagnostik 296 33 Hämatologische Histologie 299 34 Zytogenetik 303 34.1 Chromosomenanalyse 303 34.2 Fluoreszenz-in-situ-Hybridisierung (FISH) 304 35 Molekulargenetik 307 35.1 Southern Blot 307 35.2 Polymerasekettenreaktion 308 36 Referenzwerte in der Hämatologie 309 37 Blutgruppenserologische Untersuchungen 315 37.1 Untersuchungsziele und Präanalytik 315 37.2 Bestimmung der AB0-Merkmale in der Gelzentrifugationstechnik 316 37.3 Durchführung des Antikörpersuchtestes (AKS) in der Gelzentrifugationstechnik 325 37.4 Durchführung des direkten Coombs-Testes (DCT) 329 37.5 Durchführung der Verträglichkeitsprobe (Kreuzprobe) in der Gelzentrifugationstechnik 333 38 Gerinnungsphysiologische Untersuchungen 341 38.1 Physiologie der Hämostase 341 38.2 Die plasmatische Gerinnung des extrinsischen und intrinsischen Systems 343 38.3 Das Fibrinolysesystem 348 38.4 Kongentiale und erworbene hämorrhagische Diathesen (Blutungsbereitschaft) 350 38.5 Methoden der Diagnostik 352 38.6 Erste Methoden zur Gewinnung des Fibrinfadens: Recalzifizierungszeit 358 38.7 Spezielle Global- und Suchtests 359 38.8 Einzelfaktorenbestimmungen mit Mangelplasmen 368 38.9 Faktor-V-Leiden – Nachweis mit der APC-Resistenz 371 38.10 Inhibitoren (Hemmstoffe) 372 38.11 Immunchemische Verfahren 378 39 Qualitätssicherung am Arbeitsplatz 381 Anhang A Diagnostik im hämatologischen Routinelabor 385 A.1 Technologie im Wandel der Zeit 385 A.2 Zusätzliche Hämatologieparameter 387 A.3 Anforderungen an ein modernes Hämatologiesystem 392 A.4 Von der Analytik zur technischen Validation 393 A.5 Eine Komplettlösung für die Hämatologie 396 A.6 Digitale Morphologie 397 A.7 Messtechnologie der Sysmex XN-Serie 398 Literatur 404 Weiterführende Literatur 405 Glossar 411 Stichwortverzeichnis 417

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Book SynopsisConnects principles, processes, and experimental techniques with current research in the continuously expanding field of photochemistry and photophysics Photochemistry and Photophysics covers a wide spectrum of concepts in photochemistry and photophysics, introducing principles, processes, and experimental techniques, with a wealth of examples of current applications and research spanning natural photosynthesis, photomedicine, photochromism, luminescent sensors, energy conversion and storage, and sustainability issues. In this Second Edition, several chapters have been revised considerably and others have been almost entirely rewritten. A number of schemes and figures have been added, and the reference list at the end of each chapter has been extended and updated. Clearly structured, the first part of the text discusses the formation, properties, and reactivity of excited states of inorganic and organic molecules and supramolecular species, and the second part focuses on photochemical and photophysical processes in natural and artificial systems. Readers will learn how photochemical and photophysical processes can be exploited for novel, unusual, and unexpected applications. Written by world-renowned experts in the field, Photochemistry and Photophysics includes information on: Formation, electronic structure, properties, chemical reactivity, and radiative and nonradiative decay of electronically excited states Fundamental concepts and theoretical approaches concerning energy transfer and electron transfer Peculiar light absorption/emission spectra and the photochemical properties of the various families of organic molecules and metal complexes Equipment, techniques, procedures, and reference data concerning photochemical and photophysical experiments, including warnings to avoid mistakes and misinterpretations Relationships between photochemical, photophysical, and electrochemical properties of molecules that enable interconversion between light and chemical energy With an appropriate mix of introductory, intermediate, and advanced content, this is an ideal textbook resource for related undergraduate and postgraduate courses. The text is also valuable for scientists already active in photochemical and photophysical research who will find helpful suggestions to undertake novel scientific projects.

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Book SynopsisThis study guide for the Chemistry Olympiad contains summarized concepts and examples in all areas of chemistry. The chapters are arranged in a logical manner and establishes connections between concepts. Undergraduate chemistry concepts are explained clearly: every equation in physical chemistry is derived and justified while every organic reaction has its reaction mechanism shown and explained, without assuming that readers have university-level background in the subject. The book also contains original Chemistry Olympiad sample problems that readers may use to test their knowledge.This is a first book of its kind, written by Nan Zhihan, International Chemistry Olympiad (IChO) gold medallist and winner of the International Union of Pure and Applied Chemistry (IUPAC) Prize for achieving the highest score in the experimental exam, and experienced Chemistry Olympiad trainer Dr Zhang Sheng, who has served as head mentor of Singapore IChO team for many years. It builds on the experience of both a participant and trainer to help any aspiring Chemistry Olympiad student understand the challenging concepts in chemistry.

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Book SynopsisDevelop and assess your students' knowledge and skills throughout A level with worked examples, practical assessment guidance and differentiated end of topic questions in this updated, all-in-one textbook for Years 1 and 2. Combining everything your students need to know for the Pearson Edexcel A level Chemistry specification, this revised textbook will:- Identify the level of your students' understanding with diagnostic questions and a summary of prior knowledge at the start of the Student Book.- Provide support for all 16 required practicals with various activities and questions, along with a 'Practical' chapter covering procedural understanding and key ideas related to measurement.- Improve mathematical skills with plenty of worked examples, including notes on methods to help explain the strategies for solving each type of problem.- Offer plenty of practice with 'Test yourself' questions to help students assess their understanding and measure progress.- Encourage further reading and study with short passages of extension material.- Develop understanding with free online access to 'Test yourself' answers and an extended glossary.

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Book SynopsisYou'll find everything you need for both years of A-Level AQA Chemistry in this CGP Complete Revision & Practice Guide! It has straightforward study notes, helpful examples and full-colour diagrams. We've included more challenging exam practice than ever before with plenty of practice questions and exam-style questions (with detailed answers) for every topic - plus a section of mixed (synoptic) practice testing different parts of the course. To round things off there are sections of in-depth advice on Practical Skills and how to pick up top marks in the exams. There's even a free Online Edition of the whole book - just use the code printed inside the book to access it on your PC, Mac or tablet. For even more practice don't miss CGP's A-Level Chemistry Exam Practice Workbook (9781782949138).

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Book SynopsisOptimal operation and control of batch and semi-batch processes has an increasing importance in the chemical process industry. However, the solution of dynamic uncertainties in the process model might lead to a high risk of constraint violations. In order to solve the dynamic optimization problem under parametric uncertainty, four different approaches are investigated in this work. Thereafter, two of them are used in a multi-scenario eNMPC in order to robustly control batch processes under parametric uncertainties.

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Book SynopsisThe increasing worldwide concerns about the danger of climate change have pushed goverments to strictly regulate CO2 emissions of automobiles. This development has led the auto industry to focus on design concepts that can reduce fuel consumption, and subsequently emissions. The power generation and tranmission systems, which lead the fuel consumption inefficiency in a car, are the leading factors for high emissions. The conventionally bulky structure of automobiles comes second. Thus improvements on autobody design can decrease the emissions significantly.

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Book SynopsisFor the design and control of chemical processes, models that can accurately describe the physicochemical interactions of the process are needed. However, even with systematic modeling frameworks, the validation of predictive models is time and cost consuming. The generation of experimental data required for model validation often ensues in considerable effort and costs, which can be reduced via optimal experimental design (OED) methods. This thesis addresses the question on how to obtain predictive models for reactive complex chemical processes with the least experimental effort for a given application.The different challenges encountered during modeling complex reactive systems are discussed in Chapter 2. To this end a tutorial is presented for modeling chemical systems exhibiting dynamics on different time scales owing to fast (equilibrium-limited), and slow (kinetically-limited) reactions. The presented systematic modeling approach, complementing existing literature, is b

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Book SynopsisThe present thesis deals with the development of immobilized Ruthenium-Triphos catalysts for the selective hydrogenation of esters, amides and CO2 as potential substrates in the context of the valorization of renewable carbon resources.The highly active molecular catalyst [Ru(Triphos)TMM] (C-1a), already investigated in various catalytic approaches and mechanistic studies, was defined as target structure for immobilization. In a detailed preparative study, two synthetic pathways towards [(Ru(Ether-Triphos)TMM] (C-2a) and [(Ru(Carbamate-Triphos)TMM] (C-3a) were developed, using a triethoxysilyl-functionality as anchoring-group in the catalysts backbone, enabling the covalent immobilization on oxidic supports (section 3.1). Subsequently, the complex [(Ru(Ether-Triphos)TMM] (C-2a) was tethered on amorphous SiO2,500, leading to the heterogenized catalyst [(Ru(Ether-Triphos)TMM]@SiO2,500 (C-2b, section 3.1).The immobilized catalyst was successfully tested in ester-, amide-

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