Chemistry Books

Book SynopsisANALYTICAL TECHNIQUES FOR THE ELUCIDATION OF PROTEIN FUNCTION An essential aid for scientists seeking alternative techniques for investigating proteins Proteins are the building blocks of living organisms, and they play an enormous range of fundamental roles in sustaining and shaping life. The critical determinant of a protein's function is its structure, and the analysis of protein structures has therefore become a significant component of biological research. In recent years, longstanding analytical techniques such as X-ray crystallography and nuclear magnetic resonance (NMR) spectroscopy have been supplemented by a number of new methods which promise to revolutionize the study of proteins and their functions. Analytical Techniques for the Elucidation of Protein Function serves as an introduction to these techniques, which are especially crucial for analyzing intrinsically disordered regions and post-translational modifications. These have revolutionized the study of proteins in rTable of ContentsPreface ix Editor’s Biographies xi List of Contributors xiii 1 EPR Spectroscopy 1 1.1 Outline of EPR Spectroscopy 2 Hiroyuki Mino 1.1.1 Overview 2 1.2 Biological Applications of EPR 13 Isao Suetake, Risa Mutoh, Yuichi Mishima, Masatomo So, and Hironobu Hojo 1.2.1 Proteins and Their Structures: Domain and Intrinsically Disordered Region 13 1.2.2 Introduction of Spin Probes on Proteins 14 1.2.3 Measurement of Constant Wave (CW)-EPR Spectrum 19 1.2.4 Application of CW-EPR to Protein (Clock Protein, Amyloid Proteins, and HP1) 21 1.2.4.1 Clock Proteins 22 1.2.4.2 Amyloid Proteins (Aβ Peptide, β 2 -microglobulin, α-synuclein, Tau, and Prion) 23 1.2.4.3 Heterochromatin Protein 1 (HP1) 26 1.2.5 Measurement of Longer Distance between Spin-spin (HP1, Tau, α-synuclein) 29 1.2.6 Biophysical Functions of Protein Dynamics 31 1.2.7 Summary/Conclusion 31 2 Introduction to Incoherent Neutron Scattering: A Powerful Technique to Investigate the Dynamics of Bio-macromolecules 39 Tatsuhito Matsuo and Judith Peters 2.1 Introduction 39 2.2 Basic Theory and Dynamical Information Obtained from iNS 42 2.2.1 Basic Principle of iNS Experiments 42 2.2.2 Incoherent Scattering Function 45 2.2.3 Dynamical Information Obtained by iNS 51 2.2.3.1 Elastic Incoherent Neutron Scattering (EINS) 52 2.2.3.2 Quasi-elastic Neutron Scattering (QENS) 53 2.3 Examples of Biological Applications of iNS 58 2.3.1 Dynamical Modulation of Proteins Caused by a Disease-causing Point Mutation 58 2.3.2 Dynamical Differences between Amyloid Polymorphic Fibrils Showing Different Levels of Cytotoxicity 59 2.3.3 New Theoretical Framework to Describe the Dynamical Behavior of Lipid Molecules 60 2.3.4 Separation of Dynamics of Protein-detergent Complexes 61 2.3.5 Hydration Water Mobility around Proteins 62 2.4 Summary 63 3 Elucidation of Protein Function Using Raman Spectroscopy 69 Saima Malik, Maitrayee U. Trivedi, Gurpreet K. Soni, and Rohit K. Sharma 3.1 Introduction 69 3.2 Basic Principle and Working of Raman Spectroscopy 71 3.2.1 Theory and Frequencies of Raman Spectroscopy 71 3.2.2 Instrumentation 73 3.3 Advances in Raman Spectroscopy Techniques 74 3.3.1 Resonance Raman Spectroscopy for Protein Analysis 74 3.3.1.1 Ultraviolet Resonance Raman Spectroscopy 75 3.3.1.2 Time-resolved Resonance Raman Spectroscopy 76 3.3.2 Surface-enhanced Raman Spectroscopy (SERS) 77 3.3.3 Tip-enhanced Raman Spectroscopy 80 3.3.4 Polarized Raman Spectroscopy 83 3.3.5 Raman Crystallography 85 3.3.6 2D-COS Raman Spectroscopy 88 3.4 Applications 91 3.5 Conclusion 92 4 Fundamental Principles of Impedance Spectroscopy and its Biological Applications 101 Yusuke Tsutsui 4.1 Introduction 101 4.1.1 Basic Concept of Impedance Spectroscopy 101 4.1.2 Description of Impedance for Capacitors and Inductors 105 4.1.3 Nyquist Plot 106 4.1.4 Debye Model 108 4.1.5 Constant Phase and Warburg Element to Model Distorted and Diffusive Components 111 4.2 Biological Applications of Impedance Spectroscopy 113 4.2.1 Detection of DNA Hybridization and Photodamage 113 4.2.2 Detection and Analysis of Proteins 115 4.3 Conclusion 119 5 Mass Spectrometry Imaging 125 Shuichi Shimma 5.1 Introduction 125 5.2 Workflow of MSI 126 5.3 Mass Microscope 128 5.4 Visualization of Small Molecules (Pharmaceutical) 128 5.5 Structural Isomer Discrimination Imaging (Steroid Hormones) 130 5.6 Visualization of Proteins (Intact, Digestion) 133 5.7 Visualization of Protein Function (Enzymatic Activity Visualization) 134 5.8 Summary 139 6 Elucidation of Protein Function Using Single-molecule Monitoring by Quantum Dots 143 Maitrayee U. Trivedi, Deepika Sharma, Alisha Lalhall, Rohit K. Sharma, and Nishima Wangoo 6.1 Introduction 143 6.1.1 Introduction to Quantum Dots 144 6.1.2 Types of Quantum Dots 145 6.1.2.1 Core Type QDs 145 6.1.2.2 Core/shell-type QDs 147 6.1.2.3 Alloyed-type QDs 148 6.2 Synthesis Methods 148 6.2.1 Wet-chemical Methods 150 6.2.2 Vapor-phase Methods 150 6.3 Bioconjugation 151 6.4 Analytical Methods for Single-molecule Monitoring by Quantum Dots 152 6.4.1 Epifluorescence Microscopy 152 6.4.2 Total Internal Reflection Fluorescence Microscope 153 6.4.3 Confocal Microscopy 154 6.4.4 pseudo-TIRFM 154 6.4.5 Single-point Edge Excitation Subdiffraction Microscopy 156 6.5 Applications 156 6.5.1 Application of Single-molecule Monitoring Using QD for Enlightening Nanoscale Neuroscience 156 6.5.2 Investigation of Diffusion Dynamics of Neuroreceptors in Cultured Neurons 157 6.5.3 Single-molecule Tracking of Neuroreceptors in Intact Brain Slices (in Vivo) 158 6.5.4 QD-tagged Neurotransmitter Transporters 160 6.5.5 QD Labeled Serotonin Transporter (SERT) to Understand Membrane Dynamics 160 6.5.6 Membrane Trafficking and Imaging of Dopamine Transporter (DAT) Using QDs 161 6.6 Limitations of QDs 163 6.7 Conclusion 163 7 Biological Solid-state NMR Spectroscopy 169 Toshimichi Fujiwara 7.1 Introduction 169 7.2 Magnetic Interactions for NMR 170 7.2.1 Zeeman Interaction 170 7.2.2 Isotropic and Anisotropic Chemical Shifts 170 7.2.3 Homo- and Heteronuclear Dipolar Interactions 171 7.3 Methods for Solid-state NMR 173 7.3.1 Sample Preparation of Solid-state NMR 173 7.3.2 Experimental NMR Techniques for High-resolution Solid-state NMR 174 7.3.3 Fast MAS for 1 H NMR 176 7.3.4 Multidimensional High-resolution NMR Experiments with Recoupling RF Pulse Sequences 176 7.3.5 Paramagnetic Effects for Structural Analysis 177 7.3.6 High-field DNP for Sensitivity Enhancement 178 7.3.7 Oriented Molecular Systems 179 7.4 Applications of Solid-state NMR to Biological Molecular Systems 180 7.4.1 Membrane Proteins and Peptides 180 7.4.2 Amyloid Fibrous Proteins 182 7.4.3 In-situ Cellular Biomolecules 184 7.5 Concluding Remarks 184 8 Electrically Induced Bubble Knife and Its Applications 191 Yoko Yamanishi 8.1 Introduction 191 8.2 Electrically Induced Bubble Knife 192 8.3 Electrically Induced Bubble Injector 199 8.3.1 Bubble Formation with Reagent Interface 200 8.3.2 Simultaneous Injection and Ablation 200 8.4 Plasma-induced Bubble Injector 201 8.5 Protein Crystallization by Electrically Induced Bubbles 202 8.6 Protein Crystallization by Plasma-induced Bubbles 207 Index 215

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Book SynopsisSustainability in Biofuel Production Technology Explore current challenges and the latest technologies in biofuel production In Sustainability in Biofuel Production Technology, a team of engineers and chemists delivers a thorough and accessible exploration of the source of renewable energy biofuels poised to help conserve natural resources and limit the impact of fossil fuel use. The book offers detailed information about the challenges and trends in biodiesel production and includes contributions from leading researchers in the field of biodiesel production. Readers will explore aviation biofuels, biofuel production technologies, reactor design and safety considerations, and the modelling and simulation of biofuel production as they move through the book's 14 chapters. The authors also analyze the performance of biofuels along with cost estimations and mathematical modeling of various process parameters. Readers will also find: A thorough introduction to biofuels, including their history, generation, classification, and relevant technologiesIn-depth presentations of the production technologies of biofuels, including chemical and biological production processesComprehensive explorations of the utilization of biofuels in aviation, including performance analyses and safety considerationsFulsome discussions of key issues and challenges in biofuels production pathways and the environmental effects of biofuels Perfect for academic researchers and industrial scientists working in the biofuels, bioenergy, catalysis, and materials science sectors, Sustainability in Biofuel Production Technology will also be suitable for members of regulatory bodies in the bioenergy sector.Table of Contents1. Introduction to Biofuel 2. Ethanol as the Leading “First-Generation” Biofuel 3. Advanced Biofuels – Alternative to Biofuels 4. Biofuels Production Technologies - An overview 5. Chemically Produced Biofuels 6. Microalgae - Biofuel Production Trends 7. Agro-Waste Produced Biofuels 8. Biofuels for aviation 9. State of the art design and fabrication of reactor in biofuel production 10. Modeling and simulation to predict the performance the diesel blends 11. Challenges To Biofuel Development 12. Greener catalytic processes in biofuel production 13. Life Cycle Assessment 14. Social Economic Impact of Biofuel Index

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Book SynopsisTable of Contents1 An Introduction to Chemistry 1 1.1 The Nature of Chemistry 1 1.2 A Scientific Approach to Problem Solving 3 Chemistry in Action: Egyptians, the First Medicinal Chemists 4 1.3 The Particulate Nature of Matter 5 1.4 Classifying Matter 7 2 Standards for Measurement 15 2.1 Scientific Notation 15 2.2 Measurement and Uncertainty 17 2.3 Significant Figures 18 2.4 Significant Figures in Calculations 20 2.5 The Metric System 23 Chemistry in Action: Keeping Track of Units 27 2.6 Dimensional Analysis: A Problem-Solving Method 29 2.7 Percent 32 2.8 Measurement of Temperature 35 2.9 Density 37 Case Study: A Googol of Atoms 41 3 Elements and Compounds 51 3.1 Elements 51 Chemistry in Action: Naming Elements 56 3.2 Introduction to the Periodic Table 56 Chemistry in Action: Smartphone Elements 59 3.3 Compounds and Formulas 60 4 Properties of Matter 71 4.1 Properties of Substances 71 Chemistry in Action: Making Money 73 4.2 Physical and Chemical Changes 74 4.3 Learning to Solve Problems 77 4.4 Energy 77 4.5 Heat: Quantitative Measurement 79 4.6 Energy in the Real World 81 Chemistry in Action: Popping Popcorn 82 Case Study: A Cool Glass of Water: A Mystery 83 5 Early Atomic Theory and Structure 91 5.1 Dalton's Model of the Atom 91 5.2 Electric Charge 92 5.3 Subatomic Parts of the Atom 94 5.4 The Nuclear Atom 96 5.5 Isotopes of the Elements 98 Chemistry in Action: Isotope Detectives 100 5.6 Atomic Mass 100 Case Study: Thinking Inside the Box 102 6 Modern Atomic Theory and the Periodic Table 109 6.1 Electromagnetic Radiation 109 Chemistry in Action: You Light Up My Life 111 6.2 The Bohr Atom 111 6.3 Energy Levels of Electrons 113 Chemistry in Action: Atomic Clocks 115 6.4 Atomic Structures of the First 18 Elements 116 6.5 Electron Structures and the Periodic Table 119 Chemistry in Action: Collecting the Elements 120 7 Chemical Bonds: The Formation of Compounds from Atoms 131 7.1 Periodic Trends in Atomic Properties 131 7.2 The Ionic Bond: Transfer of Electrons from One Atom to Another 134 7.3 Predicting Formulas of Ionic Compounds 140 7.4 The Covalent Bond: Sharing Electrons 141 7.5 Electronegativity 143 Chemistry in Action: Trans-forming Fats 145 7.6 Polarizing Power and Polarizability--Fajans' Rules 146 7.7 Lewis Structures of Compounds 147 Chemistry in Action: Strong Enough to Stop a Bullet? 151 7.8 Complex Lewis Structures 151 7.9 Compounds Containing Polyatomic Ions 153 7.10 Molecular Shape 153 Case Study: An Analysis of Martian Molecules 157 8 Nomenclature of Inorganic Compounds 167 8.1 Common and Systematic Names 167 8.2 Elements and Ions 168 Chemistry in Action: What's in a Name? 170 8.3 Writing Formulas from Names of Ionic Compounds 172 8.4 Naming Binary Compounds 174 8.5 Naming Compounds Containing Polyatomic Ions 179 8.6 Acids 180 9 Quantitative Composition of Compounds 191 9.1 The Mole Concept 191 9.2 Molar Mass of Compounds 196 9.3 Percent Composition of Compounds 199 Chemistry in Action: Feeling the Molecular Heat? 202 9.4 Calculating Empirical Formulas 202 9.5 Calculating the Molecular Formula from the Empirical Formula 205 Case Study: Avogadro Goes to Court 207 10 Chemical Equations 217 10.1 The Chemical Equation 217 10.2 Writing and Balancing Chemical Equations 219 10.3 Why Do Chemical Reactions Occur? 224 10.4 Types of Chemical Equations 225 Chemistry in Action: CO Poisoning--A Silent Killer 226 10.5 Heat in Chemical Reactions 231 10.6 Climate Change: The Greenhouse Effect 235 11 Calculations from Chemical Equations 245 11.1 Introduction to Stoichiometry 245 11.2 Mole--Mole Calculations 248 11.3 Mole--Mass Calculations 250 11.4 Mass--Mass Calculations 252 Chemistry in Action: A Shrinking Technology 254 11.5 Limiting Reactant and Yield Calculations 254 12 The Gaseous State of Matter 269 12.1 Properties of Gases 269 Chemistry in Action: What the Nose Knows 273 12.2 Boyle's Law 274 12.3 Charles' Law 277 12.4 Avogadro's Law 280 12.5 Combined Gas Laws 282 12.6 Ideal Gas Law 285 12.7 Dalton's Law of Partial Pressures 289 Chemistry in Action: Air Quality 291 12.8 Density of Gases 291 12.9 Gas Stoichiometry 292 Case Study: Deflategate: A Real Application of the Ideal Gas Law 296 13 Liquids 307 13.1 States of Matter: A Review 307 13.2 Properties of Liquids 308 13.3 Boiling Point and Melting Point 311 Chemistry in Action: Chemical Eye Candy 313 13.4 Changes of State 313 13.5 Intermolecular Forces 315 Chemistry in Action: How Sweet It Is! 318 13.6 Water, a Unique Liquid 320 Chemistry in Action: Reverse Osmosis? 322 Case Study: Cooking Under Pressure 323 14 Solutions 333 14.1 General Properties of Solutions 333 14.2 Solubility 335 14.3 Rate of Dissolving Solids 339 14.4 Concentration of Solutions 341 14.5 Colligative Properties of Solutions 349 Chemistry in Action: The Scoop on Ice Cream 354 14.6 Osmosis and Osmotic Pressure 354 Case Study: Water Can Kill? Exploring the Effects of Osmosis 356 15 Acids, Bases, and Salts 367 15.1 Acids and Bases 367 Chemistry in Action: Drug Delivery: An Acid--Base Problem 371 15.2 Salts 372 Chemistry in Action: A Cool Fizz 373 15.3 Electrolytes and Nonelectrolytes 373 15.4 Introduction to pH 378 15.5 Neutralization 381 15.6 Writing Net Ionic Equations 383 Chemistry in Action: Ocean Corals Threatened by Increasing Atmospheric CO2 Levels 385 16 Chemical Equilibrium 393 16.1 Rates of Reaction 393 16.2 Chemical Equilibrium 394 16.3 Le Châtelier's Principle 396 Chemistry in Action: New Ways in Fighting Cavities and Avoiding the Drill 403 16.4 Equilibrium Constants 403 16.5 Ion Product Constant for Water 405 16.6 Ionization Constants 407 16.7 Solubility Product Constant 409 16.8 Buffer Solutions: The Control of pH 412 Chemistry in Action: Exchange of Oxygen and Carbon Dioxide in the Blood 414 Case Study: Acids, pH, and Buffers 415 17 Oxidation--Reduction 425 17.1 Oxidation Number 425 17.2 Balancing Oxidation--Reduction Equations 430 17.3 Balancing Ionic Redox Equations 434 17.4 Activity Series of Metals 437 17.5 Electrolytic and Voltaic Cells 439 Case Study: Breaking Bad: Real or Hollywood Science? 443 18 Nuclear Chemistry 453 18.1 Discovery of Radioactivity 453 18.2 Alpha Particles, Beta Particles, and Gamma Rays 456 18.3 Radioactive Disintegration Series 460 18.4 Measurement of Radioactivity 462 18.5 Nuclear Energy 463 18.6 Mass--Energy Relationship in Nuclear Reactions 467 18.7 Applications of Radioactivity 468 18.8 Biological Effects of Radiation 470 Chemistry in Action: A Window into Living Organisms 471 Case Study: The Benign Hamburger 472 19 Introduction to Organic Chemistry 479 19.1 The Beginnings of Organic Chemistry 479 19.2 Why Carbon? 480 19.3 Alkanes 482 19.4 Alkenes and Alkynes 490 19.5 Aromatic Hydrocarbons 494 19.6 Hydrocarbon Derivatives 498 19.7 Alcohols 500 19.8 Ethers 504 19.9 Aldehydes and Ketones 506 19.10 Carboxylic Acids 508 19.11 Esters 510 Chemistry in Action: Getting Clothes CO2 Clean! 511 19.12 Polymers--Macromolecules 512 Case Study: Dust to Dust 514 20 Introduction to Biochemistry 527 20.1 Chemistry in Living Organisms 527 20.2 Carbohydrates 528 20.3 Lipids 533 20.4 Amino Acids and Proteins 537 Chemistry in Action: The Taste of Umami 541 20.5 Enzymes 542 20.6 Nucleic Acids, DNA, and Genetics 544 Case Study: A Light Lunch? 550 Appendix 1 Mathematical Review 557 Appendix 2 Units of Measurement 567 Appendix 3 Vapor Pressure of Water at Various Temperatures 569 Appendix 4 Solubility Table 571 Appendix 5 Answers to Selected Exercises 573 Glossary 589 Index 597

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Book SynopsisTable of ContentsNanocolloids for Petroleum Engineering: Theoretical and Practical Approach Baghir Suleimanov, Elchin Veliyev, Vladimir Vishnyakov INTRODUCTION PART A. Nanocolloids – an overview Chapter 1. Nanocolloids classification 1.1. What is colloid? 1.2. Colloids classification 1.3. Colloids evaluation 1.4. What is nanocolloid? Chapter 2. Nanocolloids properties 2.1. Different kind of interactions in nanocolloids  Van der Waals interactions  Electrostatic interaction  Elastic-steric interaction  Hydrophobic interaction  Solvation interaction  Depletion interaction  Magnetic dipole-dipole interaction  Osmotic repulsion 2.2. The stability of nanocolloids 2.3. Rheology of nanocolloids  Effect of nanoparticles interaction on the colloids rheology  Effect of nanoparticles migration on the colloids rheology 2.4. Surface Tension.Wettability  Wettability alteration  Surface tension References PART B. Reservoir Development Chapter 3. Reservoir conditions for nanocolloids formation 3.1. In-situ formation of nano-gas emulsions  Stability of the subcritical gas nuclei 3.2. In-situ formation of nanoaerosoles  Stability of the subcritical liquid nuclei Chapter 4. Nano-gas emulsions in oil field development 4.1. Hydrodynamics of nano-gas emulsions  Flow mechanism of gasified Newtonian liquids  Annular capillary flow scheme  Slip effect  Concluding remarks  Flow of gasified Newtonian liquids in porous media at reservoir conditions  Fundamental equations  Apparent permeability  Steady-state flow 4.2. Hydrodynamics of nano-gas emulsions in heavy oil reservoirs  Flow mechanism of gasified non-Newtonian liquids  Annular capillary flow scheme  Slip effect  Flow of gasified non-Newtonian liquids in porous media at reservoir conditions  Capillary flow  Flow in a homogeneous porous medium  Flow in a heterogeneous porous medium  Concluding remarks 4.3. Filed validation of slippage phenomena 4.3.1. Steady state radial flow  Gasified Newtonian fluid flow  Gasified non-Newtonian fluid flow 4.3.2. Unsteady state flow 4.3.3. Viscosity anomaly near to phase transition point  Experimental procedures  Measurement of live oil viscosity  Phase behavior of live oil and viscosity anomaly  Surfactant impact on phase behavior of live oil and viscosity anomaly  Mechanism of viscosity anomaly  Mechanism of surfactant influence on phase behavior of live oil and viscosity anomaly  Concluding remarks Chapter 5. Nanoaerosoles in gas condensate field development 5.1. Study of the gas condensate flow in porous medium 5.2. Mechanism of the gas condensate mixture flow  Rheology mechanism of the gas condensate mixture during steady-state flow a) Annular flow scheme in a porous medium capillary b) Slippage effect  Mechanism of porous medium wettability influence on the steady-state flow of the gas condensate  Mechanism of pressure build-up at the unsteady-state flow of the gas condensate  Concluding remarks References PART C. Production Operations Chapter 6. An overview of nanocolloids application in production operations Chapter 7. Nanosol for well completion  The influence of the specific surface area and distribution of particles on the cement stone strength  The influence of nano-SiO2 and nano-TIO2 on the cement stone strength  Regression equation  Concluding remarks Chapter 8. Nano-gas emulsion for sand control  Fluidization by gasified fluids  Carbon dioxide gasified water as fluidizing agent  Natural gas or air gasified water as fluidizing agent  Chemical additives impact on fluidization process  Water-air mixtures with surfactant additives as fluidizing agent  Fluidization by polymer compositions  Mechanism of observed phenomena Chapter 9. Vibrowave stimulation impact on nano-gas emulsion flow  Exact solution  Approximate solution  Concluding remarks References   PART D. Enhanced Oil Recovery Chapter 10. An overview of nanocolloids applications for EOR  Core flooding experiments focused on dispersion phase properties  Core flooding experiments focused on dispersion medium properties Chapter 11. Surfactant based nanofluid  Nanoparticle influence on surface tension in surfactant solution  Nanoparticles influence on surfactant adsorption process  Nanoparticles influence on oil wettability  Nanoparticles influence on optical spectroscopy results  Nanoparticles influence on rheological properties of the nano-suspension  Nanoparticles influence on the processes of Newtonian oil displacement in homogeneous and heterogeneous porous medium were tested  Concluding remarks Chapter 12. Nanofluids for Deep Fluid Diversion 12.1. Preformed particle nanogels  Nanogel strength evaluation  Determination of inflection points  Kinetic mechanism of gelation  Core flooding experiments  Concluding remarks 12.2. Colloidal dispersion nanogels  Rheology  Aging effect  Interfacial tension  Zeta potential  Particle size distribution  Resistance factor / Residual resistance factor  Concluding remarks   Chapter 13. Nano-gas emulsions as displacement agent  Oil displacement by Newtonian gasified fluid  Oil displacement by non-Newtonian gasified fluid  Mechanism of observed phenomena  Field application References PART E. Novel Perspective Nanocolloids Chapter 14. Metal string complex micro&nano fluids 14.1. What is metal string complexes? 14.2. Thermophysical properties of microfluids with Ni3(μ3-ppza)4Cl2 metal string complex  Microparticles of the MSC Ni3(µ3-ppza)4Cl2  Ni3-microfluid  Fluids stability  Thermal conductivity  Rheology  Surface tension  Freezing points  Concluding remarks 14.3. Thermophysical properties of microfluids with Ni5(μ5-pppmda)4Cl2 metal string complex  Microparticles of the metal string complex [Ni5(µ5-pppmda)4Cl2]  Micro and nanofluids preperation  Fluids stability  Thermal conductivity  Rheology  Surface tension  Freezing points  Concluding remarks References APPENDICES

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Book SynopsisHighly comprehensive and detailed text on best possible sustainable approaches associated with the development, design, and origination of pharmaceuticals Sustainable Approaches in Pharmaceutical Sciences enables readers to understand the best possible green approaches associated with the development, design, and origination of pharmaceuticals, including resources that may minimize the adverse effects associated with synthesis, isolation, and extraction. Sustainable Approaches in Pharmaceutical Sciences covers a myriad of current topics, including mechanochemical improvements for API synthesis, as well as the role of artificial intelligence (AI) in the development and discovery of pharmaceuticals, along with recent developments in hydrogels which respond to triggered factors during topical drug delivery. Authored by experienced scientists from institutions across the world, other sample topics covered in Sustainable Approaches in Pharmaceutical Sciences include: Green technologies and benefits associated with them, white biotechnology, green chemistry, and eco-friendly approaches for designing active pharmaceutical ingredientsImpact of sustainable approaches in pharmaceutical industries regarding use of solvents, nanoparticles formulations, and antimicrobial bandagesMicro-extractive methods capable of generating high recovery values of the analytes and associated techniques, such as dispersive liquid-liquid microextractionBenefits of the exploration of sustainable chemistry on a commercial scale, particularly in relation to bioresources, chemical manufacturing, and organic transformationDiscussing both the foundational science and practicality of different approaches regarding human and environmental health, Sustainable Approaches in Pharmaceutical Sciences is an essential resource for scientists, medical professionals, and industrial professionals working in the fields of sustainable technology and synthesis in pharmaceutical sciences, along with advanced level students.Table of ContentsList of Contributors vi Preface x 1 Green and Sustainable Approaches in Pharmaceutical Sciences 1Shiv Bahadur, Radhika, Durgesh Nandini Chauhan, Nagendra Singh Chauhan and Kamal Shah 2 Green Approaches in Conventional Drug Synthesis 17Hassan Rafique, Nazim Hussain, Muhammad Usama Saeed and Muhammad Bilal 3 Modern Green Extraction Techniques 35Marcello Locatelli, Enrica Rosato, Cristian D’Ovidio, Martina Bonelli, Halil Ibrahim Ulusoy, Abuzar Kabir, Imran Ali, Fabio Savini, Ugo de Grazia, Victoria Samanidou and Angela Tartaglia 4 Impact of Green Approaches in Pharmaceutical Industries 65Taruna Grover, Rishita J. Chauhan, Anuradha K. Gajjar, Tejas M. Dhameliya and Maulikkumar D. Vaja 5 Green Analytical Techniques Using Hydrotropy, Mixed Hydrotropy, and Mixed Solvency 91Atish S. Mundada, Deepak D. Patil and Rajesh K. Maheshwari 6 Application of Artificial Intelligence in Drug Design and Development 113Somdutt Mujwar and Kamal Shah 7 Green Chemistry in the Development of Functionalised Hydrogels as Topical Drug-Delivery Systems 121Maha Mohammad AL-Rajabi and Teow Yeit Haan 8 Advanced Approaches in Green Univariate Spectrophotometric Methods 157Hayam M. Lotfy, Sarah S. Saleh, Yasmin Rostom, Reem H. Obaydo and Dina A. Ahmed 9 Cyclodextrin-Based Molecular Inclusion by Grinding: Quality by Design in Green Chemistry 217Sanyam Sharma, Subh Naman and Ashish Baldi 10 Synthesis of Graphitic Carbon Nitride Quantum Dots from Bulk Graphitic Carbon Nitride 237Joseph Selvin, Jegam Noel Joseph and Selvaraj Mohana Roopan 11 Mechanochemistry for Sustainable Drug Design and Active Pharmaceutical Ingredient Synthesis 255Pedro Brandão and Marta Pineiro Index 273

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Book SynopsisTable of ContentsPreface vii Acknowledgment viii About the Editors ix List of Contributors x 1 Electronic Waste Management in Developing Countries—The Sub-Saharan Africa Experience 1Helen Uchenna Modekwe, Olusola Olaitan Ayeleru, Joshua Adeniyi Adeniran, Bimbo Lolade Fafowora, Matthew Adah Onu, Tarhemba Tobias Nyam, and Peter Apata Olubambi 2 Contextualizing Electronic Waste for Effective Management in Ghanaian Cities: Local Perspectives and Experiences 13Michael Osei Asibey 3 Multiomics Approaches on Extremophiles and Their Application in the Biological Management of E-waste 25Edwin Hualpa-Cutipa, Richard Andi, Solórzano Acosta, Daniela Landa-Acuña, and Janelle Mendoza León 4 Worldwide E-waste Management Models: Delving into Pros and Cons and the Way Forward 33md Shah Newaz and Andrea Appolloni 5 Electronic Waste Management Strategy in a Circular/Control Economy 52Helen Uchenna Modekwe, Olusola Olaitan Ayeleru, Olawale Charles Ogunnigbo, Bimbo Lolade Fafowora, Tarhemba Tobias Nyam, Matthew Adah Onu, and Peter Apata Olubambi 6 A Global Perspective on E-waste: From Cradle to Grave 66Sayan Mukherjee, Aniruddha Mukhopadhyay, and Pritha Bhattacharjee 7 The Impact of Electronic Waste and Its Implications for Soil, Air, and Water 81Edson Pablo da Silva, Daniel Nascimento Motta, Flavio Augusto de Freitas, Ginarajadaça Ferreira dos Santos Oliveira, and Vanessa Leal de Queiroz Hermino 8 The Environmental Fate of E-waste: Its Impact on Environmental Samples (Soil, Water, and Air) 90Olusola Olaitan Ayeleru, Helen Uchenna Modekwe, Oyetayo Olaoluwa Adefiranye, Bimbo Lolade Fafowora, Matthew Adah Onu, Tarhemba Tobias Nyam, Ismaila Adejare Adesiyan, and Peter Apata Olubambi 9 Reuse and Recycling of Electronic Waste from a Global Solution Perspective 104Karpagaraj A, Gopikrishnan T, and Shri Krishna Singh 10 Circular Economy and the Development of Sustainable Products Through the Application of E-waste 124William Pinheiro, Edson Pablo da Silva, and Flávio Augusto de Freitas 11 Recovery of Non-precious Metals from WEEE Using Emerging Leachants 134Carlos Perea, Christian Ihle, Humberto Estay , and Laurence Dyer 12 Waste Reduction Strategy: E-waste Recycling and Reuse Protocol 156Olusola Olaitan Ayeleru, Helen Uchenna Modekwe, Matthew Adah Onu, Bimbo Lolade Fafowora, Ismaila Adejare Adesiyan, Tarhemba Tobias Nyam, and Peter Apata Olubambi 13 Effective Utilization of E-waste in Advanced Energy Technology Processes 167Barnali Bhui, Shekhar Jyoti Pathak, and Prabu Vairakannu 14 Mechanical Effects of Recycling Plastics from Electronic Waste in Concrete: A Detailed View 185Ana Laura De la Colina Martínez and David Joaquín Delgado Hernández 15 Recovery of Rare Earth Elements and Critical Metals from Electronic Waste 202Sedevino Sophia and Vidya Shetty K 16 Finite Element Analysis of Mortars with Recycled PC from Electronic Waste 226Ana Laura De la Colina Martínez, David Joaquín Delgado Hernández, Boris Miguel López Rebollar, Gonzalo Martínez Barrera, Liliana Ivette Ávila Córdoba, Carlos Eduardo Barrera Díaz, and Fernando López Gayarre 17 Gamma Radiation Effects on Recycled e-PC: Bisphenol A Leaching 240Ana Laura De la Colina Martínez, David Joaquín Delgado Hernández, Gonzalo Martínez Barrera, Liliana Ivette Ávila Córdoba, Carlos Eduardo Barrera Díaz, Fernando Ureña Núñez, and María Magdalena García Fabila 18 Hydrometallurgical Processing of Electronic Waste 254Muammer Kaya and Shokrullah Hussaini 19 Influence of Recycled e-Polycarbonate on Mortar Composites Mechanical and Thermal Study 270Ana Laura De la Colina Martínez and David Joaquín Delgado Hernández 20 Generation, Collection, and Recycling Policies of E-waste Across the Asian Region 277Rajwinder Singh, Arti Thanki, Akhilesh Kumar Yadav, Anmol Kaur, and Karanvir Singh Sohal 21 Recent Innovations in Green Recycling Technologies of E-waste Management 288Ruchi Bharti, Monika Verma, Ajay Thakur, Renu Sharma, and Annu Pandey 22 Electronic Waste Recycling in Maintaining a Circular Economy 301Muammer Kaya and Angela Manka Tita 23 The E-waste Scenario: Analytical Techniques for Effective Management 317Hema Diwan, Nitha T.S., and Juan Mandy Index 329

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Book Synopsis

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Book Synopsis

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Book SynopsisThe Art of Problem Solving in Organic Chemistry The new edition of the classic textbook that has helped thousands of students understand and solve the complex mechanistic problems posed by organic reactions The Art of Problem Solving in Organic Chemistry is a must-have workbook for students and professionals alike, offering step-by-step guidance on applying proven strategies and logical techniques to solve complex reaction mechanism problems. The book is organized in two sections: The Toolbox and the Problem Chest. The first part is presented in four chapters covering advanced contemporary issues of molecular structure and orbital configuration, stereoelectronic constraints, electron shifts, redeployment and arrow-pushing allowances and pitfalls, as well as functional groups roles and key intermediate species, all of which dominate the reaction mechanism scenario. These concepts are rounded up by a series of time-tested problem analysis strategies and thinking routes shown in flowcharts and illustrated by application to specific cases. The Problem Chest puts together a set of 50 newly selected fully discussed mechanism problems of increasing difficulty, in which all the power of the Toolbox paraphernalia is put to work. Now in its third edition, The Art of Problem Solving in Organic Chemistry retains the structure of previous editions, previously rated among the 30 best organic chemistry books of all time by BookAuthority. More than 50 revised organic reaction mechanism problems are complemented by an entirely new set of problems, additional concepts and techniques, expanded coverage of applications in contemporary organic chemistry, embedded cases of the existing reaction pool taken from recent literature, and much more. Describes the principles, methods, tools, and problem analysis techniques required to solve organic reaction problemsExtends the logic and strategy of the mechanistic approach beyond specific reactions and factsDiscusses practical methods for improved problem solving for organic reaction mechanismsExplains tested strategies for analyzing the possibilities of reaction mechanisms between reactants and productsContains detailed appendices with definitions and examples of principles, reactions, mechanisms, and reagents The Art of Problem Solving in Organic Chemistry, Third Edition is an essential volume for advanced undergraduates, graduate students, lecturers, and professionals looking to improve their performance in finding solutions to organic reaction problems. It is an ideal textbook for courses on organic reactions and problem analysis, as well as an excellent supplement for courses covering reactive intermediates and mechanisms of molecular transformations.Table of ContentsPreface ix Acknowledgements xiii Where Does This Book Level Start How Far Does It Take You? xv Part I The Toolbox 1 1 Introduction to Problem Analysis in Advanced Organic Reaction Mechanism 3 1.1 Overview 3 1.2 The First Three Steps in Problem Analysis 4 1.2.1 A Bird’s Eye Overview 4 1.2.2 Change the Molecular Rendering to a Familiar Framework 4 1.2.3 Go for the Relevant, Skip the Superficial Information 5 1.3 Moving Beyond the Primary Answers 7 1.4 Drawing a Preliminary Outline for Guidance 7 1.5 Intuition and Problem Solving 8 1.6 Summing Up 9 1.7 Solution to the 14 → 16 Conversion in Scheme I.5 10 References and Notes 10 2 Electron Flow in Organic Reactions 11 2.1 Overview 11 2.2 Introduction 12 2.2.1 A Word or Two on Notation 13 2.2.1.1 Lewis Notation and Line Renderings 13 2.2.1.2 Curved or “Curly” Arrows 14 2.3 Electrons in Covalent Bonding and Redeployment 14 2.3.1 A Preliminary Review of the Essentials 14 2.3.1.1 Electrons and Covalent Bonds: The Still Unsolved Fundamental Questions 14 2.4 Practical Rules Governing Electron Redeployment 15 2.4.1 Issue 1: Electrons Reside Within Orbitals 15 2.4.1.1 The Question of Orbital Restrictions and Electron Deployment 15 2.4.2 Issue 2: The Electron Shield Concept Contributes to Covalent Bonds 18 2.4.2.1 Carbocations 18 2.4.2.2 Carbon Dications 20 2.4.3 Issue 3: AO/MO Overlap is a Requirement for σ and π Bond Formation 21 2.4.3.1 AO/MO Limits and the Quantum Tunneling Effect 26 2.4.4 Issue 4: Electron Traffic and Stereochemistry 27 2.4.5 Issue 5: Electron Energy Level and Accessibility 28 2.4.6 Issue 6: Electron Flow and Molecular Active Sectors 30 2.4.7 Issue 7: Electron Flow and Compatible AO Types 32 2.4.7.1 σ–σ Interactions 33 2.4.7.2 σ–π Interactions 35 2.4.7.3 π–π Interactions 41 2.4.8 Issue 8: Electron Flow, Delocalization of Bonding and Non-bonding Electrons, Resonance Stabilization 44 2.4.8.1 Non-bonding Electron Pairs (NBPs) 44 2.4.9 Issue 9: Electron Traffic and Electronic Density Differences 49 2.4.9.1 Detecting Potential Donors and Acceptors 49 2.4.9.2 What Makes a Given Functional Group a Natural HEDZ or LEDZ? 50 2.4.9.3 A Reminder Takeaway 51 2.4.9.4 Quantum-mechanical Computations and Mechanism 53 2.4.10 Issue 10: Electron Traffic on Account of LEDZ Alone 54 2.4.10.1 Hidden LEDZs Triggering Deep-rooted Skeletal Rearrangements 56 2.4.10.2 Remote C–H Activation by LEDZ and Radicals 56 2.4.11 Issue 11: Inverting the Natural Electron Flow, Umpolung 59 2.4.11.1 Umpolung Successful Accomplishments 60 2.4.11.2 The Nitrogen Heterocycle Carbenes (NHC) in Carbonyl Umpolung 62 2.4.11.3 Umpolung of C=O through Imine Derivatives 63 2.4.11.4 The Hydrazone Way to C=O Umpolung 69 2.4.12 Issue 12: One-electron Flow 71 2.4.12.1 Radicals, Reminder Takeaways 71 2.4.12.2 Carbenes, Overview, and Electron Redeployment 76 2.5 Summing Up 84 2.6 Organized Problem Analysis with the Tools Described so Far 85 2.7 Supplementary Schemes: Solutions to Problems Embedded in this Chapter 86 Notes 89 3 Stereochemistry and Mechanism of Molecular Transformations 93 3.1 Overview 93 3.2 Introduction 94 3.2.1 The Question of Planar Molecules and Deviations, an Approach to Steric Effects 94 3.2.1.1 Planar 2D versus 3D 94 3.2.1.2 Perturbation of Planarity by Substituents; Approaching Steric Effects 97 3.2.1.3 Interaction of Distant C=C Bonds by Stereochemical Proximity 100 3.3 Measuring Steric Hindrance 102 3.3.1 The Roadblocks Ahead 102 3.3.2 Steric Requisites for Building σ Bonds 102 3.3.3 Reaction Rate Retardation Due to Steric Hindrance 103 3.3.4 The Saga of Purely Steric Effects 103 3.3.4.1 Study Case 1: Substitution (S N 2) of Alkyl Bromides by Sodium Methoxide 105 3.3.4.2 Study Case 2: Hydrolysis of Esters and Esterification of Carboxylic Acids 107 3.3.4.3 Study Case 3: Connolly’s Molecular Volume 109 3.3.4.4 Study Case 4: The Anilines Arylsulfonyl Chloride Model 113 3.3.4.5 Study Case 5: Other Sources of Evidence 115 3.3.5 Steric Acceleration of Reaction Rates 121 3.3.5.1 Steric Acceleration in SN1/E1 Competition during Solvolysis 121 3.3.5.2 Steric Acceleration in the Gas Phase 124 3.3.6 Summary of Steric Hindrance and Reactivity Takeaways 125 3.4 Applications to Stereochemically Competent Reaction Mechanisms 127 3.4.1 A Case of Regio and Stereoselective Reaction in a Sterically Simple Compound 127 3.4.2 The Role of Steric Umbrellas 129 3.5 Stereochemistry in Bimolecular Reactions: Cycloadditions 131 3.5.1 The Diels–Alder Cycloaddition: the CA Prototype 132 3.5.1.1 DACA Steric Domain: Essential Takeaways 133 3.5.1.2 DACA Stereoelectronic Domain: Essential Takeaways 134 3.5.1.3 Assessing Steric Effects (SEs) through Products Configuration: the Endo Alders Rule 134 3.5.1.4 The Exo : Endo Ratio and Lewis-acid Catalysis 137 3.5.1.5 Current and Future Prospects for DACA and Other Cycloadditions 138 3.6 The Ultimate Stereo- and Enantio-Control: Oriented External Electric Fields (OEEFS) 139 3.6.1 How OEEF Works 140 3.6.2 OEEF and DACA Stereocontrol 140 3.6.3 The Experimental Array 140 3.7 Summing Up 144 3.8 Supplementary Schemes 145 Notes 146 References 146 4 Additional Techniques to Postulate Organic Reaction Mechanisms 149 4.1 Overview 149 4.2 Take Your Time 150 4.3 Use Clear and Informative Molecular Renderings 150 4.4 Element and Bond Budgets 150 4.5 Looking at Molecules From Different Perspectives 152 4.6 Redraw Reactants Such That They Resemble Products 155 4.7 Fragmentation Analysis (Fa): Dissecting Products in Terms of Reactants 157 4.7.1 The Fundamental Proposition 157 4.7.2 Study Case 1 157 4.7.3 Study Case 2 158 4.7.4 Learning Lessons and Takeaways from FA 161 4.8 Oxidation Levels and Mechanism 163 4.9 The Functionality Number (FN) 164 4.9.1 What Exactly is FN? 164 4.9.2 Organizing Carbon Functionalities in FN Groups 164 4.9.3 Main FN Groups Properties 164 4.9.4 Study Case 1 166 4.9.5 Study Case 2 166 4.9.6 Study Case 3: Heterolytic C–C Cleavage and the Electron Sink 166 4.10 Combining Fragmentation Analysis and Functionality Numbers 169 4.11 A Flowchart to Orderly Exploit the Strategies of this Chapter 170 4.12 Summing Up 171 4.13 Supplementary Reaction Schemes 171 4.14 Solution to Problems Embedded in this Chapter 172 References 172 Part II The Problem Chest 173 Subject Index 389 Graphical Index 391

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Book SynopsisAn expert synthesis of the latest materials and methods with applications for groundwater and wastewater treatment Materials and Methods for Industrial Wastewater and Groundwater Treatment delivers an up-to-date discussion of the materials and methods being used to address the problem of pollutants in industrial wastewaters and groundwater. The book describes innovative new materials with significant potential to emerge as a next-generation solution in the water treatment space. Cutting-edge research is synthesized into these novel materials and methods and case studies demonstrate real-world applications of new solutions for water treatment. Readers will also find: A thorough introduction to new materials and techniques for treating wastewater and groundwater to remove pollutantsComprehensive explorations of the latest research on commercially viable methods for treating wastewater and groundwaterCase studies highlighting the practical application of novel methods and materials as nex

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Book SynopsisThe current volume continues the tradition of the Organic Syntheses series, providing carefully checked and edited experimental procedures that describe important synthetic methods, transformations, reagents, and synthetic building blocks or intermediates with demonstrated utility in organic synthesis. These significant and interesting procedures should prove worthwhile to many synthetic chemists working in increasingly diverse areas. A trusted guide for professionals in organic and medicinal chemistry in academia, government, and industries, including pharmaceuticals, fine chemicals, agrochemicals, and biotechnological products.Table of ContentsChapter 1 Synthesis of Chiral Organoiodine Catalyst for Enantioselective Oxidative Dearomatization Reactions: N,N′-(2S,2′S)-(2-Iodo-1,3-phenylene) bis(oxy)bis(propane-2,1-diyl)bis(2,4,6-trimethylbenzamide) Chapter 2 Chapter iral Organoiodine-catalyzed Enantioselective Oxidative Dearomatization of Phenols Chapter 3 Reductive Deuteration of Ketones with Magnesium and D2O for the Synthesis of α-Deutero-o-methyl-benzhydrol Chapter 4 Palladium-Catalyzed Acetylation of Arylbromides Chapter 5 Cu-catalyzed Allylic Perfluoroalkylation of Alkenes Using Perfluoro Acid Anhydrides: Preparation of N-(5,5,5-Trifluoro-2-penten-1-yl)phthalimide Chapter 6 Synthesis of a Phosphorous Sulfur Incorporating Reagent for the Enantioselective Synthesis of Thiophosphates Chapter 7 Discussion Addendum for: Preparation of (S)-tert-ButylPyOx and Palladium-Catalyzed Asymmetric Conjugate Addition of Arylboronic Acids Chapter 8 Palladium-Catalyzed Hydrodefluorination of Fluoroarenes Chapter 9 Synthesis of the Isocyanide Building Block Asmic, anisylsulfanylmethylisocyanide Chapter 10 Mild mono-Acylation of 4,5-Diiodoimidazole: Preparation of 1-(5-Iodo-1H-imidazole-4-yl)pent-4-en-1-one Chapter 11 Enantioselective Michael-Proton Transfer-Lactamization for Pyroglutamic Acid Derivatives: Synthesis of Dimethyl-(S,E)-5-oxo-3-styryl-1-tosylpyrrolidine-2,2-dicarboxylate Chapter 12 Preparation of 1-Hydrosilatrane, and Its Use in the Highly Practical Synthesis of Secondary and Tertiary Amines from Aldehydes and Ketones via Direct Reductive Amination Chapter 13 Synthesis of Tetraaryl-, Pentaaryl-, and Hexaaryl-1,4-dihydropyrrolo[3,2-b]pyrroles Chapter 14 Preparation of Hindered Aniline CyanH and Application in the Allyl-Ni-Catalyzed α, β-Dehydrogenation of Carbonyls Chapter 15 Synthesis of tert-Alkyl Phosphines: Preparation of Di-(1-adamantyl)phosphonium Trifluoromethanesulfonate and Tri-(1-adamantyl)phosphine Chapter 16 Preparation of 1-Benzyl-7-methylene-1,5,6,7-tetrahydro-4H-benzo[d]imidazol-4-one Chapter 17 Catalytic Diazoalkane-Carbonyl Homologation: Synthesis of 2,2-Diphenylcycloheptanone and Other Quaternary or Tertiary Arylalkanones and Spirocycles by Ring Expansion Chapter 18 C2 Amination of Pyridine with Primary Amines Mediated by Sodium Hydride in the Presence of Lithium Iodide Chapter 19 Synthesis and Acylation of 1,3-Thiazinane-2-thione Chapter 20 Preparation of (Bis)Cationic Nitrogen-Ligated I(III) Reagents: Synthesis of [(pyridine)2IPh](OTf)2 and [(4-CF3-pyridine)2IPh](OTf)2 Chapter 21 Preparation of 6-(Triethylsilyl)cyclohex-1-en-1-yl Trifluoromethanesulfonate as a Precursor to 1, 2-Cyclohexadiene Chapter 22 Discussion Addendum for: Intra- and Intermolecular Kulinkovich Cyclopropanation Reactions of Carboxylic Esters with Olefins: Bicyclo[3.1.0]hexan-1-ol and trans-2-benzyl-1-methylcyclopropan-1-ol Chapter 23 Synthesis of Chiral Aziridine Ligands for Asymmetric Alkylation with Alkylzincs: Diphenyl((S)-1-((S)-1-phenylethyl)aziridin-2-yl)methanol Chapter 24 Large-Scale Preparation of Oppolzer's Glycylsultam Chapter 25 Stereoselective [2+2] Cycloadditions: Synthesis of a Tri-O-Bn-D-Glucal-derived β-Lactam Chapter 26 Preparation of 2-(Triethylsilyl)cyclohex-1-en-1-yl Trifluoromethanesulfonate as a Precursor to Cyclohexyne Chapter 27 Late-stage C H Functionalization with 2,3,7,8-Tetrafluorothianthrene: Preparation of a Tetrafluorothianthrenium-salt Index

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Book SynopsisOILS AND FATS AS RAW MATERIALS FOR INDUSTRY This new volume emphasizes the sources, structure, chemistry, treatment, modification, and potential applications for oils and fats as raw materials in industry. Oils and fats can be used as raw materials in many industries including food and agriculture, as surfactants in laundry detergents and cosmetics, as well as in pharmaceuticals. Moreover, unsaturated vegetable oils are also suitable to form epoxides and hence, are important in the manufacturing of paints and adhesives. Limited sources of petrochemicals and their harmful effects on health and the environment also promote the use of naturally occurring oils and fats as biodiesel after some chemical modification. Moreover, a vast variety of nonedible oils that can be obtained from easily cultivable plant species are receiving great interest from researchers because they not only yield cost-effective products but are also proven as a substrate to promote sustainable research. In thiTable of ContentsPreface xvii 1 Oil and Fats as Raw Materials for Industry: An Introduction 1Sonali Kesarwani, Mukul Kumar, Divya Bajpai Tripathy, Anjali Gupta and Suneet Kumar 1.1 Introduction 2 1.2 Classification of Oils and Fats 4 1.3 Chronology of the Development of Oil and Fats for Industry 11 1.4 Chemistry of Oil and Fats 14 1.5 Properties of Oils and Fats 15 1.6 Applications of Oils and Fats 18 1.7 Challenges 21 1.8 Conclusion 24 2 Biotechnology for Oil and Fat 33Nabya Nehal and Priyanka Singh 2.1 Introduction 34 2.2 Review of Literature 36 2.3 Conclusion 55 3 Sustainability of Oils and Fats Over Petrochemicals 65Swati Chaudhary 3.1 Oils and Fats as Renewable Feedstock 66 3.2 Petrochemicals as Non-Renewable Feedstock 70 3.3 Oils and Fats vs. Petrochemicals 75 3.4 Trends in the Oleochemical Industry 76 3.5 Oleochemicals & Petrochemicals Surfactants 77 3.6 Oleochemicals-Based Products 79 3.7 Conclusion 79 4 Oils and Fats in the Food Industry 85Garima Gupta and Priyanka Singh 4.1 Introduction 86 4.2 Sources of Oils and Fats 88 4.3 Methods of Extraction 92 4.4 Constituents of Fat and Oil 96 4.5 Physical Properties 99 4.6 Chemical Characteristics 102 4.7 Nutritional Properties 104 4.8 Applications 106 5 Oils and Fats as an Environmentally Benign Raw Material for Surfactants and Laundry Detergents 117Subhalaxmi Pradhan, Chandu S. Madankar and Paridhi 5.1 Introduction 118 5.2 History of Laundry Detergent 118 5.3 Raw Materials in Laundry and Detergents 121 5.4 Types of Surfactants 122 5.5 Synthesis Methods 128 5.6 Market Analysis 135 5.7 Environmental Safety 137 5.8 Future Trends 138 5.9 Conclusion 139 6 Oils and Fats as Raw Materials for Cosmetics 145Shilpi Bhatnagar and Shilpi Khurana 6.1 Introduction 145 6.2 Theoretical Aspects of Emollients 146 6.3 Commonly Used Vegetable/Plant Derived Oils 148 6.4 Lanolin and Its Derivatives 151 6.5 Lecithin 152 6.6 Essential Oils 153 6.7 Use of Waxes in Cosmetics 155 6.8 Use of Oils, Fats and Waxes in Lipsticks and Eye Care Products 157 6.9 Cleansing Creams 161 6.10 Oil Shampoo 163 6.11 Conclusion 163 7 Oil and Fats as Raw Materials for Coating Industries 169Monika Kaurav, Kantrol Sahu, Ramakant Joshi, Wasim Akram, Pooja Mongia Raj, Rakesh Raj and Sunita Minz 7.1 Introduction 170 7.2 Vegetable Origin Oils and Fats 171 7.3 Animal Origin Fats & Oils 178 7.4 Various Applications of Oils and Fats in Coating Industry 181 7.5 Regulatory and Safety Issues of Vegetable Oil and Fats Coatings 183 7.6 Patents of Oils and Fats Used for Industrial Coating 184 7.7 Recent Approaches for Coating 185 7.8 Conclusions 189 8 Oil and Fats as Raw Materials as Corrosion Inhibitors and Biolubricants 195Anurag Bapat, Subhalaxmi Pradhan and Chandu S. Madankar 8.1 Introduction 196 8.2 Biolubricants@from Vegetable Oil 205 8.3 Renewable Feedstocks Available in India 216 8.4 Ester-Based Lubricants from Vegetable Origin Oils (Edible and Non-Edible Oil) 219 8.5 Epoxide-Based Lubricants from Vegetable Oil 220 8.6 Conclusion 222 9 Vegetable Oils in Pharmaceutical Industry 231Shruti Mishra, Shubhankar Anand and Achyut Pandey 9.1 Introduction 232 9.2 Olive Oil 233 9.3 Rice Bran Oil 238 9.4 Soybean Oil 240 9.5 Walnut Oil 242 9.6 Sesame Oil 243 9.7 Peanut Oil 246 9.8 Sunflower Oil 248 9.9 Conclusions 251 10 Non-Edible Oils as Biodiesel 267Shilpi Khurana and Shilpi Bhatnagar 10.1 Introduction 267 10.2 Tussle Between Food and Fuel 269 10.3 Non-Edible Oils as Potential Feedstock 270 10.4 Non-Edible Plants as Raw Material 271 10.5 Properties of Non-Edible Oils for Biodiesel as a Future Fuel 276 10.6 Extraction of Non-Edible Oil 278 10.7 Emissions Characteristics of Non-Edible Vegetable Oils 280 10.8 Conclusion 280 11 Ecological and Economic Aspects of Oil and Fats 285Shivang Dhoundiyal, Awaneet Kaur and Md. Aftab Alam 11.1 Introduction 285 11.2 Disparities in Price 290 11.3 Environmental Effects of Oils 293 11.4 Global Trends 298 12 Oils and Fats: Raw Materials for Corrosion Inhibitor 307Smriti Dwivedi and Anita Kushwaha 12.1 Introduction 307 12.2 Essential Oil as Corrosion Inhibitor 309 12.3 Fatty Acids as Corrosion Inhibitors 314 12.4 Copper Corrosion Inhibitor by Fatty Amidine 315 12.5 Palm Oil as Corrosion Inhibitor 315 12.6 Flower Extracts as Corrosion Inhibitor 316 12.7 Fatty Amide Derivatives Used as Corrosion Inhibition of Carbon Steel 317 12.8 Unsaturated Fatty Acid Derived by Microalgae as Corrosion Inhibitor 317 12.9 Other Green Inhibitors 318 12.10 Conclusions 319 References 320 Index 333

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Book SynopsisAgroecological Approaches for Sustainable Soil Management Enables readers to strengthen existing agricultural strategies to sustainably solve contemporary problems like food supply chain gaps and food scarcity Agroecological Approaches for Sustainable Soil Management explains strategies to check the deterioration of soil quality, irrigation water quality, reuse of wastewaters in agriculture after treatment, organic fertigation, and corporate fertigation, to transform current agriculture into sustainable agriculture, and demonstrates cost effective technologies for sustainable development of site-specific ecosystems. Techniques to eradicate malnutrition, such as enhanced biofortification, are also covered. Sample topics covered in Agroecological Approaches for Sustainable Soil Management include: Foremost developments in the restoration and utilization of degraded lands through organic farming, precision agriculture, climate-resilient fodder/forage cultivation, and livestock managementPTable of ContentsList of Contributors xv Preface xxi About the Editors xxv 1 Soil Degradation: A Major Challenge in the Twenty- First Century 1 Fábio Carvalho Nunes, Cláudia Cseko Nolasco de Carvalho, Lander de Jesus Alves, and Majeti Narasimha Vara Prasad 1.1 Introduction 1 1.2 Soil Degradation: Start and Consequences 4 1.3 Soil Protection, Conservation, and Recuperation Strategies 12 1.4 Challenges for the Twenty- First Century 14 1.5 Final Considerations 16 References 17 2 Degradation of Agriculture Systems by Invasive Alien Plants and Agroecological Approaches for Sustainable Restoration 23 Prabhat Kumar Rai 2.1 Introduction 23 2.1.1 Effects of IAPs on Soil Attributes and Microbial Diversity of Agroecosystems 25 2.2 Agroecological Solutions 29 2.2.1 Physical Weed Control Methods 29 2.2.2 Cultural Control Method 29 2.2.3 Stale Seed Bed 30 2.2.4 Cover Cropping 30 2.2.5 Intercropping 30 2.2.6 Crop Rotation 31 2.2.7 Crop Selection 31 2.2.8 Cover Cropping 31 2.3 Biological Control Methods 33 2.4 Classical or Inoculative Biological Control 33 2.4.1 Inundative or Augmentative Biological Control 34 2.5 Allelopathy in Agroecosystems 34 2.6 Restoration and Carbon Sequestration Approaches in Agro/Ecosystem/ Forestry Systems 35 2.7 Conclusions 37 2.7.1 Declaration of Competing Interest 38 Acknowledgment 38 References 38 3 Soil Management for Carbon Sequestration 49 Taoufik El Rasafi, Ahmed El Moukhtari, Ayoub Haouas, Anas Tallou, Wassila Bouta, Yassine Aallam, Soumia Amir, Hanane Hamdali, Mohamed Farissi, Abdelmajid Haddioui, and Abdallah Oukarroum 3.1 Introduction 49 3.2 Agronomic Management Practices 50 3.2.1 Tillage 50 3.2.2 Nutrient Management 51 3.2.3 Organic Amendments 51 3.2.3.1 Biochar 51 3.2.3.2 Organic Residues 52 3.2.4 Crop Rotation 53 3.2.5 Carbon Sequestration Potential of Agroforestry Systems 53 3.2.6 Effect of Water Quality and Irrigation Practices on Soil Sequestration 54 3.2.7 Contribution of Microorganisms to Soil Carbon Sequestration 55 3.3 Conclusion 57 References 57 4 Soil Degradation, Resilience, Restoration, and Sustainable Use 65 Diana Cota- Ungson, Yolanda González- García, and Antonio Juárez- Maldonado 4.1 Introduction 65 4.2 Impacts of Human Activity on Soil Degradation 66 4.2.1 Agriculture 66 4.2.2 Overgrazing 67 4.2.3 Mining 67 4.2.4 Negative Effects Derived from Human Activity 68 4.2.4.1 Organic Carbon Change 68 4.2.4.2 Nutrient Imbalance and Loss of Soil Biodiversity 68 4.2.4.3 Salinization, Pollution, and Soil Acidification 68 4.2.4.4 Sealing of the Soil and Occupation of the Territory 69 4.2.4.5 Soil Compaction and Waterlogging 69 4.3 Methods to Restore the Soil 69 4.3.1 Conservation Agriculture 69 4.3.2 Soil Amendments 70 4.3.3 Plant Growth Promoting Rhizobacteria (PGPR) 71 4.3.4 Grazing Management 71 4.3.5 Phytoremediation 72 4.4 Sustainable Use of the Soil 72 4.4.1 Production Systems Based on Polycultures 73 4.4.2 Agroforestry Systems 74 4.4.3 Crop Rotation 74 4.4.4 Cover Crops 75 4.4.5 Conservation Tillage 75 4.5 Conclusions 76 References 77 5 Organic Farming – a Sustainable Option to Reduce Soil Degradation 83 Ana Paula Pinto, Jorge M.S. Faria, A. V. Dordio, and A. J. Palace Carvalho 5.1 Introduction 83 5.2 Land Degradation–What Are we Doing to our Soil? 85 5.3 Organic Farming–An Environmentally Sustainable Trend Expanding Worldwide 89 5.4 Organic Farming and Soil Fertility 93 5.4.1 Organic Matter 94 5.4.2 Nutrient Cycling 96 5.4.3 Microbial Biomass 103 5.4.4 Biostimulants 108 5.5 Conclusions 115 References 117 6 Ecological Restoration of Degraded Soils Through Protective Afforestation 145 Marcin Pietrzykowski, Bartłomiej Woś, and Marek Pająk 6.1 Introduction 145 6.2 The Importance of Reclamation for the Protection of Post- Mining Sites 146 6.3 Soil Reconstruction in Varied Post- Mine Site Conditions 148 6.4 Criteria for Assessing the Adaptation of Tree Species to the Conditions of Reclaimed Areas 150 6.5 The Impact of Tree Species on Soil Properties 155 6.6 Conclusion 158 Acknowledgments 159 References 159 7 Biochar Applications for Sustainable Agriculture and Environmental Management 165 Majeti Narasimha Vara Prasad 7.1 Introduction 165 7.2 Resume of Biochar for Sustainable Soil Management 166 7.3 Biochar Advantages for Sustainable Soil Management 169 7.4 Feedstock for Production of Biochar 170 7.5 Soil Carbon Storage/Sequestration 171 7.6 Biochar Influence on Detoxification of Potentially Toxic Elements in Soil 174 7.7 Biochar Mitigates Salinity in Different Crop Fields 177 7.8 Miscellaneous Benefits of Biochar for Soil Sustainability 179 References 185 8 Restoring Ecosystems: Guidance from Agroecology for Sustainability in Thailand 201 Woranan Nakbanpote, Pranee Srihaban, Wutthisat Chokkuea, Winya Dungkaew, Uraiwan Taya, Piyanutt Khanema, Ruttanakorn Munjit, Ponlakit Jitto, Piyapatr Busababodhin, Surasak Khankhum, Khanitta Somtrakoon, and Majeti Narasimha Vara Prasad 8.1 Introduction 201 8.2 Importance of Agricultural Strategy and Ecological Restoration in Thailand 202 8.3 Management of Thailand’s Restoration of Agricultural Areas 204 8.3.1 Large- Scale Agriculture and Modern Agricultural Technology 205 8.3.2 Small- Scale Agriculture and Sustainable Agricultural Systems 207 8.3.2.1 Integrated Farming 209 8.3.2.2 Organic Farming 209 8.3.2.3 Natural Farming 209 8.3.2.4 Agroforestry 209 8.3.2.5 New Theory Agriculture 210 8.4 Special Cases of Restoration and Sustainable Agriculture in Thailand 213 8.4.1 Rice Cultivation in Inland Saline Soil of Northeast Thailand 213 8.4.2 Restoring Arid Areas to Become a Floating Market in the Forest with the King’s Philosophy 218 8.4.3 Integrated Agricultural Learning Center for Sustainability 220 8.4.4 Large Community Organic Rice Fields 220 8.5 Conclusions 224 Acknowledgements 224 References 225 9 Emergy Approach to the Sustainable Use of Ecosystems toward Better Land Management 231 Joana Marinheiro, Ana Fonseca, João Serra, and Cláudia Marques- dos- Santos 9.1 Introduction 231 9.2 Emergy Methodology 232 9.3 Review Methodology 233 9.4 Mixed Farming 235 9.5 Emergy Applied to Mixed Farming 235 9.6 Emergy Indices and Scope Widening 236 9.7 Main Findings and Gaps in Literature 241 9.8 Future Advises 242 References 242 10 Agroecological Transformation for Sustainable Food Systems 247 Ayoub Haouas, Anas Tallou, Soumia Amir, Abdelmajid Haddioui, Abdallah Oukarroum, and Taoufik El Rasafi 10.1 Introduction 247 10.2 Agroecology 248 10.2.1 Agroecology and Food Systems 249 10.2.2 Principles of Agroecology 249 10.2.3 In Farm Practices 250 10.2.3.1 Intercropping 251 10.2.3.2 Biological Control of Pests 251 10.2.3.3 Recycling into Biofertilizers 251 10.2.3.4 Resilience 252 10.3 Agroecological Approaches 252 10.3.1 Conservation Agriculture 252 10.3.2 Organic Agriculture 253 10.3.3 Integrated Farming 254 10.3.4 Agroforestry 254 10.3.5 Permaculture 254 10.4 Limits 255 10.5 Prospects 255 10.6 Conclusion 256 References 256 11 Alternative Production Systems (“Roof- Top,” Vertical, Hydroponic, and Aeroponic Farming) 261 Ágnes Szepesi 11.1 Introduction 261 11.2 Rooftop Farming/Agriculture (RA) and Vertical Farming 262 11.3 Hydroponic Farming 268 11.4 Aeroponic Farming 270 11.5 Future Perspectives 270 Acknowledgments 272 References 272 12 Regaining the Essential Ecosystem Services in Degraded Lands 277 V. Girijaveni, K. Sammi Reddy, J.V.N.S. Prasad, V.K. Singh, and Chitranjan Kumar 12.1 Introduction 277 12.2 Soil and Water Conservation Techniques 279 12.3 Soil Management 280 12.3.1 Engineering Measures for Controlling Soil Erosion 280 12.3.1.1 Bunding 280 12.3.1.2 Contour Farming 281 12.3.1.3 Contour Trenching 281 12.3.1.4 Terracing 282 12.4 Loose Boulder/Stone/Masonry Check Dams/Brushwood Check Dams 283 12.5 Crop Management 284 12.5.1 Conservation Tillage 286 12.5.2 Objectives of Minimum Tillage 287 12.5.2.1 Listing 287 12.5.2.2 Crop Rotation 288 12.5.2.3 Grassed Waterways 288 12.5.2.4 Site Selection Criteria 289 12.6 Soil Erosion Models for Quantification 289 12.7 Integrated Nutrient Management to Address the Soil Degradation 290 12.8 Improving Soil Ecosystem Services Through Soil Microorganisms 292 References 294 13 Phytochemicals as an Eco- Friendly Source for Sustainable Management of Soil- Borne Plant Pathogens in Soil Ecosystem 303 Shikha Tiwari, Nawal K. Dubey, and Chitranjan Kumar 13.1 Introduction 303 13.2 Soil- Borne Pathogens: Major Threat to Agroecosystem 305 13.3 Green Chemicals as Better Alternatives to Synthetic Pesticides to Combat Soil- Borne Pests 306 13.4 Nanoencapsulation as a Booster to Green Pesticides 309 13.5 Conclusion 313 References 313 14 Restoration of Saline Soils for Sustainable Crop Production 319 Bülent OKUR, Nesrin ÖRÇEN, and Nur OKUR 14.1 Introduction 319 14.2 Characteristics of Saline Soils 320 14.3 Impact of Soil Salinization on Plant Growth 322 14.4 Restoration of Saline Soils 327 14.4.1 Leaching of Excess Salt along Soil Profile 327 14.4.2 Surface Flushing of Salts 328 14.4.3 Physical Remediation 328 14.4.4 Electro- Kinetic Remediation 329 14.4.5 Salt- Tolerant Plants, Halophytes, and Organic Matter Applications 329 14.4.6 Inoculation of Microorganisms 331 14.5 Conclusion 332 References 334 15 Conservation Agriculture as Sustainable and Smart Soil Management: When Food Systems Meet Sustainability 339 Rachid Mrabet, Akashdeep Singh, and Tarun Sharma 15.1 Introduction: Challenging A “Global Syndemic” 339 15.2 Conservation Agriculture: Exploring Concept, Objectives, and Ambitions 340 15.3 Harnessing Soil Functioning under Conservation Agriculture 341 15.4 Food Security Under Conservation Agriculture: From Farm to Fork 345 15.5 CA Systems as Drivers for Social Development and Economic Growth 346 15.6 Challenges and Socio- Economic Barriers for CA Adoption 347 15.7 Conclusion: Bridging and Bonding CA Science and Policy 348 References 349 16 The Ecology of Intercropping Systems, Tree- Cover Dynamics of Grazing Lands, and Cover Crops for Soil Management 357 Chitranjan Kumar, Anil K. Singh , Deepak R. Joshi, and David E. Clay 16.1 Introduction 357 16.2 Intercropping Systems 358 16.3 Sustainable Forest Management 360 16.4 Cover Crops for Sustainable Soil Management 362 16.5 Conclusion 365 References 367 17 Strategies for Restoration and Utilization of Degraded Lands for Sustainable Oil Palm Plantation and Industry 373 Ronny Purwadi, Sanggono Adisasmito, Daniel Pramudita, and Antonius Indarto 17.1 Introduction 373 17.2 Palm Oil Plantations: Characteristics and Issues 376 17.3 Degraded Land: Definition and Rehabilitation Efforts 380 17.4 Operation Strategies 387 17.4.1 Identification of Initial Constraints 387 17.4.2 Selecting Suitable Degraded Land 391 17.4.3 Species Selection (for Rotation Farming and Interrow Covering) 393 17.4.4 Nursery Practices 394 17.4.5 Cultivation and Maintenance 396 17.4.6 Harvesting and Marketing 399 17.5 Challenges and Opportunities 400 17.6 Conclusion 403 References 404 18 Reclaiming Urban Brownfields and Industrial Areas–Potentials for Agroecology 409 Petra Schneider, Tino Fauk, and Florin- Constantin Mihai 18.1 Introduction 409 18.2 Characterizing Urban Brownfields and Industrial Areas 410 18.2.1 Overview on Urban Brownfields and Industrial Areas and Respective Hazards 410 18.2.2 Development Potentials of Urban Brownfields and Industrial Areas 414 18.2.3 New Approaches to a Land Saving Management 415 18.3 After Use Options for Urban Brownfields and Industrial Areas 417 18.3.1 General Options and Restrictions 417 18.3.2 Restoration and Green Infrastructure 419 18.3.3 Revitalization Options 421 18.3.4 Market Demand, Barriers, and Requirements 421 18.3.5 Land Management 423 18.4 Role of Soil Management 424 18.5 Potentials for Agroecology 425 18.5.1 Dimensions of Potential Agroecological Applications 425 18.5.2 Small- Scale Applications 425 18.5.3 Large- Scale Applications 427 18.5.4 Forestry and Natural Succession 429 18.5.5 Agroecological Applications on Polluted Sites–Phytoremediation 431 18.6 Conclusions 431 18.7 Outlook 432 References 433 19 Plant Growth Promoting Rhizobacteria Sustaining Saline and Metal Contaminated Soils 437 Chitranjan Kumar, Ajay Tomar, Sangeeta Pandey, and Majeti Narasimha Vara Prasad 19.1 Introduction 437 19.2 PGPR: Modes of Action to Improve Plant Growth 438 19.3 Molecular Characterization of PGPRs 438 19.4 PGPR: A Competent, Facultative, and Intracellular Microorganism 439 19.5 Signal Exchange between PGPRs and Root Hairs 440 19.6 Ammonia Production 442 19.7 Production of IAA and HCN 442 19.8 Solubilization of Nutrients (P, K, Ca, Zn, and Mg) 443 19.9 Siderophore Production 443 19.10 The Phenomenon of Antagonism and Hyperparasitism 444 19.11 Alleviation of Metal Stress 445 19.12 Assessment of Plant Growth- Promoting Activities 446 19.13 Assessment of Bacterial Reactions to Heavy Metals 448 19.14 Conclusion 449 References 450 20 Internet of Things (IoT) in Soil Management for Achieving Smart Agriculture 457 Amir Parnian, Mehdi Mahbod, Chanchal K. Mitra, Hossein Beyrami, and Majeti Narasimha Vara Prasad 20.1 Introduction 457 20.1.1 What Is a Network? 459 20.1.2 How Does the IoT Work? 459 20.1.3 How Does the Network Work? 461 20.1.4 What Is Wi- Fi and How Does Wireless Communication Work? 462 20.2 Sensors and Data in IoT- Based Systems 464 20.2.1 The Sensors 464 20.2.2 Temperature Sensors 464 20.2.3 Humidity Sensors 465 20.2.4 Sensors for Soil Moisture 466 20.2.5 Sensors for pH and Dissolved Solids 466 20.3 The Data 467 20.4 IoT in Agriculture 467 20.5 IoT in Soil Science 469 20.6 IoT Parts: Soil Sensors and Parameter Monitoring with IoT- Linked Sensors 469 20.6.1 Soil Temperature 470 20.6.2 Soil Moisture 471 20.6.3 Solar Radiation 473 20.6.4 Weather 473 20.6.5 Fertilizer 473 20.7 A Better Understanding of Soil Conditions (Fertility, Degradation, Irrigation, Detection of Soil- Borne Diseases, etc.) 473 20.8 The Future Role of IoT in Smart Agriculture 475 20.9 Technology in Advanced Farming 476 20.10 Risks of IoT in Land Management and Food Security 479 20.11 Conclusion 480 References 480 Index 487

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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 Synopsis

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Book SynopsisFORENSIC SCIENCE Forensic Science: Current Issues, Future Directions presents a comprehensive, international discussion of key issues within the forensic sciences. Written by accomplished and respected specialists in distinct areas of the forensic sciences, this volume examines central issues within each discipline, provides perspective on current debate and explores current and proposed research initiatives. The forensic sciences represent dynamic and evolving fields, presenting new challenges to a rapidly expanding cohort of international practitioners. This book acquaints readers with the complex issues involved and how they are being addressed. The academic treatment by experts in the fields ensures comprehensive and thorough understanding of these issues and paves the way for future research and progress. Draws on the knowledge and expertise of the prestigious American Academy of Forensic Sciences Written by key experts in the diverse disciplines of fTrade Review“I would recommend this text to anyone wishing to learn more about the many and varied disciplines that make up the forensic sciences and, particularly, the role of AAFS in shaping developments in recent years.” (Journal of Forensic Sciences, 1 July 2013) “There is no other book on the market that provides the perspective that these authors do on new and evolving fields in the discipline. Summing Up: Highly recommended. All library collections.” (Choice, 1 August 2013) Table of ContentsList of contributors vii Acknowledgements xix 1 Introduction 1 Douglas H. Ubelaker 2 General forensics – no one else starts until we finish 6 Julie Howe, Janet Barber Duval, Claire Shepard and Robert Gaffney 3 Criminalistics: the bedrock of forensic science 29 Susan Ballou, Max Houck, Jay A. Siegel, Cecelia A. Crouse, John J. Lentini and Skip Palenik 4 Forensic pathology – the roles of molecular diagnostics and radiology at autopsy 102 James R. Gill, Yingying Tang, Gregory G. Davis, H. Theodore Harcke and Edward L. Mazuchowski 5 The places we will go: paths forward in forensic anthropology 131 Dawnie Wolfe Steadman 6 Forensic toxicology: scope, challenges, future directions and needs 160 Barry K. Logan and Jeri D. Ropero-Miller 7 Odontology – dentistry’s contribution to truth and justice 179 Iain A. Pretty, Robert Barsley, C. Michael Bowers, Mary Bush, Peter Bush, John Clement, Robert Dorion, Adam Freeman, Jim Lewis, David Senn and Frank Wright 8 Forensic psychiatry and forensic psychology 211 Stephen B. Billick and Daniel A. Martell 9 Forensic document examination 224 William M. Riordan, Judith A. Gustafson, Mary P. Fitzgerald and Jane A. Lewis 10 Digital evolution: history, challenges and future directions for the digital and multimedia sciences section 252 David W. Baker, Samuel I. Brothers, Zeno J. Geradts, Douglas S. Lacey, Kara L. Nance, Daniel J. Ryan, John E. Sammons and Peter Stephenson 11 Global thinking and methodologies in evidence-based forensic engineering science 292 Laura L. Liptai, Adam Aleksander, Scott Grainger, Sarah Hainsworth, Ryan Loomba and Jan Unarski 12 Jurisprudence 310 ARW Forrest and RT Kennedy 13 Global forensic science and the search for the dead and missing from armed conflict: the perspective of the International Committee of the Red Cross 337 Morris Tidball-Binz 14 Forensic systems and forensic research: an international perspective 366 DN Vieira 15 Summary and conclusions 374 Douglas H. Ubelaker Index 399

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Book SynopsisThis comprehensive book presents a detailed account of research and recent developments in the field of green energetic materials, including pyrotechnics, explosives and propellants.Table of ContentsList of Contributors ix Preface xi 1 Introduction to Green Energetic Materials 1 Tore Brinck 1.1 Introduction 1 1.2 Green Chemistry and Energetic Materials 2 1.3 Green Propellants in Civil Space Travel 5 1.3.1 Green Oxidizers to Replace Ammonium Perchlorate 6 1.3.2 Green Liquid Propellants to Replace Hydrazine 8 1.3.3 Electric Propulsion 10 1.4 Conclusions 10 References 11 2 Theoretical Design of Green Energetic Materials: Predicting Stability, Detection, and Synthesis and Performance 15 Tore Brinck and Martin Rahm 2.1 Introduction 15 2.2 Computational Methods 17 2.3 Green Propellant Components 20 2.3.1 Trinitramide 20 2.3.2 Energetic Anions Rich in Oxygen and Nitrogen 24 2.3.3 The Pentazolate Anion and its Oxy-Derivatives 27 2.3.4 Tetrahedral N4 33 2.4 Conclusions 38 References 39 3 Some Perspectives on Sensitivity to Initiation of Detonation 45 Peter Politzer and Jane S. Murray 3.1 Energetic Materials and Green Chemistry 45 3.2 Sensitivity: Some Background 46 3.3 Sensitivity Relationships 47 3.4 Sensitivity: Some Relevant Factors 48 3.4.1 Amino Substituents 48 3.4.2 Layered (Graphite-Like) Crystal Lattice 49 3.4.3 Free Space in the Crystal Lattice 50 3.4.4 Weak Trigger Bonds 50 3.4.5 Molecular Electrostatic Potentials 51 3.5 Summary 56 Acknowledgments 56 References 57 4 Advances Toward the Development of “Green” Pyrotechnics 63 Jesse J. Sabatini 4.1 Introduction 63 4.2 The Foundation of “Green” Pyrotechnics 65 4.3 Development of Perchlorate-Free Pyrotechnics 67 4.3.1 Perchlorate-Free Illuminating Pyrotechnics 67 4.3.2 Perchlorate-Free Simulators 72 4.4 Removal of Heavy Metals from Pyrotechnic Formulations 75 4.4.1 Barium-Free Green-Light Emitting Illuminants 76 4.4.2 Barium-Free Incendiary Compositions 78 4.4.3 Lead-Free Pyrotechnic Compositions 80 4.4.4 Chromium-Free Pyrotechnic Compositions 82 4.5 Removal of Chlorinated Organic Compounds from Pyrotechnic Formulations 83 4.5.1 Chlorine-Free Illuminating Compositions 83 4.6 Environmentally Friendly Smoke Compositions 84 4.6.1 Environmentally Friendly Colored Smoke Compositions 84 4.6.2 Environmentally Friendly White Smoke Compositions 88 4.7 Conclusions 93 Acknowledgments 94 Abbreviations 95 References 97 5 Green Primary Explosives 103 Karl D. Oyler 5.1 Introduction 103 5.1.1 What is a Primary Explosive? 104 5.1.2 The Case for Green Primary Explosives 107 5.1.3 Legacy Primary Explosives 108 5.2 Green Primary Explosive Candidates 110 5.2.1 Inorganic Compounds 111 5.2.2 Organic-Based Compounds 116 5.3 Conclusions 125 Acknowledgments 126 References 126 6 Energetic Tetrazole N-oxides 133 Thomas M. Klap€otke and J€org Stierstorfer 6.1 Introduction 133 6.2 Rationale for the Investigation of Tetrazole N-oxides 133 6.3 Synthetic Strategies for the Formation of Tetrazole N-oxides 136 6.3.1 HOF CH3CN 136 6.3.2 Oxone1 137 6.3.3 CF3COOH/H2O2 138 6.3.4 Cyclization of Azido-Oximes 139 6.4 Recent Examples of Energetic Tetrazole N-oxides 139 6.4.1 Tetrazole N-oxides 140 6.4.2 Bis(tetrazole-N-oxides) 150 6.4.3 5,50-Azoxytetrazolates 164 6.4.4 Bis(tetrazole)dihydrotetrazine and bis(tetrazole)tetrazine N-oxides 170 6.5 Conclusion 173 Acknowledgments 174 References 174 7 Green Propellants Based on Dinitramide Salts: Mastering Stability and Chemical Compatibility Issues 179 Martin Rahm and Tore Brinck 7.1 The Promises and Problems of Dinitramide Salts 179 7.2 Understanding Dinitramide Decomposition 181 7.2.1 The Dinitramide Anion 182 7.2.2 Dinitraminic Acid 184 7.2.3 Dinitramide Salts 185 7.3 Vibrational Sum-Frequency Spectroscopy of ADN and KDN 189 7.4 Anomalous Solid-State Decomposition 192 7.5 Dinitramide Chemistry 194 7.5.1 Compatibility and Reactivity of ADN 194 7.5.2 Dinitramides in Synthesis 196 7.6 Dinitramide Stabilization 198 7.7 Conclusions 200 References 201 8 Binder Materials for Green Propellants 205 Carina Elds€ater and Eva Malmstr€om 8.1 Binder Properties 209 8.2 Inert Polymers for Binders 210 8.2.1 Polybutadiene 210 8.2.2 Polyethers 212 8.2.3 Polyesters and Polycarbonates 213 8.3 Energetic Polymers 215 8.3.1 Nitrocellulose 215 8.3.2 Poly(glycidyl azide) 216 8.3.3 Poly(3-nitratomethyl-3-methyloxetane) 220 8.3.4 Poly(glycidyl nitrate) 221 8.3.5 Poly[3,3-bis(azidomethyl)oxetane] 222 8.4 Energetic Plasticisers 223 8.5 Outlook for Design of New Green Binder Systems 223 8.5.1 Architecture of the Binder Polymer 224 8.5.2 Chemical Composition and Crosslinking Chemistries 225 References 226 9 The Development of Environmentally Sustainable Manufacturing Technologies for Energetic Materials 235 David E. Chavez 9.1 Introduction 235 9.2 Explosives 236 9.2.1 Sustainable Manufacturing of Explosives 236 9.2.2 Environmentally Friendly Materials for Initiation 240 9.2.3 Synthesis of Explosive Precursors 244 9.3 Pyrotechnics 246 9.3.1 Commercial Pyrotechnics Manufacturing 246 9.3.2 Military Pyrotechnics 248 9.4 Propellants 249 9.4.1 The “Green Missile” Program 249 9.4.2 Other Rocket Propellant Efforts 250 9.4.3 Gun Propellants 251 9.5 Formulation 253 9.6 Conclusions 254 Acknowledgments 254 Abbreviations and Acronyms 255 References 256 10 Electrochemical Methods for Synthesis of Energetic Materials and Remediation of Waste Water 259 Lynne Wallace 10.1 Introduction 259 10.2 Practical Aspects 260 10.3 Electrosynthesis 262 10.3.1 Electrosynthesis of EM and EM Precursors 262 10.3.2 Electrosynthesis of Useful Reagents 265 10.4 Electrochemical Remediation 266 10.4.1 Direct Electrolysis 267 10.4.2 Indirect Electrolytic Methods 269 10.4.3 Electrokinetic Remediation of Soils 272 10.4.4 Electrodialysis 273 10.5 Current Developments and Future Directions 273 References 275 Index 281

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Book SynopsisOver the past two decades, the use of microbes to remove pollutants from contaminated air streams has become a widely accepted and efficient alternative to the classical physical and chemical treatment technologies. This book focuses on biotechnological alternatives, looking at both the optimization of bioreactors and the development of cleaner biofuels. It is the first reference work to give a broad overview of bioprocesses for the mitigation of air pollution. Essential reading for researchers and students in environmental engineering, biotechnology, and applied microbiology, and industrial and governmental researchers.Trade Review"Summing Up: Recommended. Upper-division undergraduates through professionals/practitioners." (Choice, 1 February 2014) "This book is an excellent compilation of engineering and scientific data pertaining to biological systems for both pollution control and energy production, providing real-world scientific information and scholarly research." (Chemical Engineering Progress, 1 August 2013) "I highly recommend the landmark and all encompassing book Air Pollution Prevention and Control: Bioreactors and Bioenergy edited by Christian Kennes and Maria C. Veiga, to any students, faculty, researchers, in environmental engineering, biotechnology, and applied microbiology, business leaders in industries facing air pollution challenges, and government policy makers seeking alternative concepts for air pollution control. This book provides the most proven and widely accepted biotechnological solutions to any air pollutant based problems." (Blog Business World, 10 June 2013)Table of ContentsList of Contributors xix Preface xvii I Fundamentals and Microbiological Aspects 1 1 Introduction to Air Pollution 3 Christian Kennes and María C. Veiga 1.1 Introduction 3 1.2 Types and sources of air pollutants 3 1.2.1 Particulate matter 5 1.2.2 Carbon monoxide and carbon dioxide 6 1.2.3 Sulphur oxides 7 1.2.4 Nitrogen oxides 7 1.2.5 Volatile organic compounds (VOCs) 9 1.2.6 Odours 10 1.2.7 Ozone 11 1.2.8 Calculating concentrations of gaseous pollutants 11 1.3 Air pollution control technologies 11 1.3.1 Particulate matter 11 1.3.2 Volatile organic and inorganic compounds 12 1.3.3 Environmentally friendly bioenergy 17 1.4 Conclusions 17 References 17 2 Biodegradation and Bioconversion of Volatile Pollutants 19 Christian Kennes, Haris N. Abubackar and María C. Veiga 2.1 Introduction 19 2.2 Biodegradation of volatile compounds 20 2.2.1 Inorganic compounds 20 2.2.2 Organic compounds 21 2.3 Mass balance calculations 24 2.4 Bioconversion of volatile compounds 25 2.4.1 Carbon monoxide and carbon dioxide 25 2.4.2 Volatile organic compounds (VOCs) 26 2.5 Conclusions 27 References 27 3 Identification and Characterization of Microbial Communities in Bioreactors 31 Luc Malhautier, Léa Cabrol, Sandrine Bayle and Jean-Louis Fanlo 3.1 Introduction 31 3.2 Molecular techniques to characterize the microbial communities in bioreactors 32 3.2.1 Quantification of the community members 32 3.2.2 Assessment of microbial community diversity and structure 34 3.2.3 Determination of the microbial community composition 39 3.2.4 Techniques linking microbial identity to ecological function 40 3.2.5 Microarray techniques 41 3.2.6 Synthesis 42 3.3 The link of microbial community structure with ecological function in engineered ecosystems 42 3.3.1 Introduction 42 3.3.2 Temporal and spatial dynamics of the microbial community structure under stationary conditions in bioreactors 43 3.3.3 Impact of environmental disturbances on the microbial community structure within bioreactors 45 3.4 Conclusions 47 References 47 II Bioreactors for Air Pollution Control 57 4 Biofilters 59 Eldon R. Rene, María C. Veiga and Christian Kennes 4.1 Introduction 59 4.2 Historical perspective of biofilters 59 4.3 Process fundamentals 60 4.4 Operation parameters of biofilters 62 4.4.1 Empty-bed residence time (EBRT) 62 4.4.2 Volumetric loading rate (VLR) 63 4.4.3 Mass loading rate (MLR) 63 4.4.4 Elimination capacity (EC) 63 4.4.5 Removal efficiency (RE) 63 4.4.6 CO2 production rate (PCO2) 63 4.5 Design considerations 64 4.5.1 Reactor sizing 64 4.5.2 Irrigation system 66 4.5.3 Leachate collection and disposal 66 4.6 Start-up of biofilters 68 4.7 Parameters affecting biofilter performance 70 4.7.1 Inlet concentrations and pollutant load 70 4.7.2 Composition of waste gas and interaction patterns 71 4.7.3 Biomass support medium 72 4.7.4 Temperature 75 4.7.5 pH 78 4.7.6 Oxygen availability 79 4.7.7 Nutrient availability 80 4.7.8 Moisture content and relative humidity 81 4.7.9 Polluted gas flow direction 83 4.7.10 Carbon dioxide generation rates 83 4.7.11 Pressure drop 85 4.8 Role of microorganisms and fungal growth in biofilters 87 4.9 Dynamic loading pattern and starvation conditions in biofilters 89 4.10 On-line monitoring and control (intelligent) systems for biofilters 93 4.10.1 On-line flame ionization detector (FID) and photo-ionization detector (PID) analysers 93 4.10.2 On-line proton transfer reaction–mass spectrometry (PTR-MS) 94 4.10.3 Intelligent moisture control systems 94 4.10.4 Differential neural network (DNN) sensor 95 4.11 Mathematical expressions for biofilters 95 4.12 Artificial neural network-based models 97 4.12.1 Back error propagation (BEP) algorithm 97 4.12.2 Important considerations during neural network modelling 99 4.12.3 Neural network model development for biofilters and specific examples 103 4.13 Fuzzy logic-based models 105 4.14 Adaptive neuro-fuzzy interference system-based models for biofilters 108 4.15 Conclusions 111 References 111 5 Biotrickling Filters 121 Christian Kennes and María C. Veiga 5.1 Introduction 121 5.2 Main characteristics of BTFs 122 5.2.1 General aspects 122 5.2.2 Packing material 123 5.2.3 Biomass and biofilm 126 5.2.4 Trickling phase 126 5.2.5 Gas EBRT 128 5.2.6 Liquid and gas velocities 129 5.3 Pressure drop and clogging 130 5.3.1 Excess biomass accumulation 130 5.3.2 Accumulation of solid chemicals 133 5.4 Full-scale applications and scaling up 134 5.5 Conclusions 135 References 135 6 Bioscrubbers 139 Pierre Le Cloirec and Philippe Humeau 6.1 Introduction 139 6.2 General approach of bioscrubbers 140 6.3 Operating conditions 141 6.3.1 Absorption column 142 6.3.2 Biodegradation step – activated sludge reactor 143 6.4 Removing families of pollutants 143 6.4.1 Volatile organic compound (VOC) removal 144 6.4.2 Odor control 146 6.4.3 Sulfur compounds degradation 146 6.5 Treatment of by-products generated by bioscrubbers 148 6.6 Conclusions and trends 148 References 149 7 Membrane Bioreactors 155 Raquel Lebrero, Raúl Muñoz, Amit Kumar and Herman Van Langenhove 7.1 Introduction 155 7.2 Membrane basics 156 7.2.1 Types of membranes 156 7.2.2 Membrane materials 159 7.2.3 Membrane characterization parameters 159 7.2.4 Mass transport through the membrane 160 7.3 Reactor configurations 163 7.3.1 Flat-sheet membranes 164 7.3.2 Tubular configuration membranes 165 7.3.3 Membrane-based bioreactors 166 7.4 Microbiology 166 7.5 Performance of membrane bioreactors 168 7.5.1 Membrane-based bioreactors 168 7.5.2 Bioreactor operation: Influence of the operating parameters 169 7.6 Membrane bioreactor modeling 170 7.7 Applications of membrane bioreactors in biological waste-gas treatment 172 7.7.1 Comparison with other technologies 172 7.8 New Applications: CO2 – NOX Sequestration 173 7.8.1 NOX Removal 173 7.8.2 CO2 sequestration 176 7.9 Future needs 177 References 178 8 Two-Phase Partitioning Bioreactors 185 Hala Fam and Andrew J. Daugulis 8.1 Introduction 185 8.2 Features of the sequestering phase – selection criteria 186 8.3 Liquid two-phase partitioning bioreactors (TPPBs) 187 8.3.1 Performance 187 8.3.2 Mass transfer 189 8.3.3 Modeling and design elements 194 8.3.4 Limitations and research opportunities 196 8.4 Solids as the partitioning phase 197 8.4.1 Rationale 197 8.4.2 Performance 197 8.4.3 Mass transfer 198 8.4.4 Modeling and design elements 199 8.4.5 Limitations and research opportunities 200 References 200 9 Rotating Biological Contactors 207 R. Ravi, K. Sarayu, S. Sandhya and T. Swaminathan 9.1 Introduction 207 9.1.1 Limitations of conventional gas-phase bioreactors 208 9.2 The rotating biological contactor 209 9.2.1 Modified RBCs for waste-gas treatment 210 9.3 Studies on removal of dichloromethane in modified RBCs 213 9.3.1 Comparison of different bioreactors (biofilters, biotrickling filters, and modified RBCs) 215 9.3.2 Studies on removal of benzene and xylene in modified RBCs 216 9.3.3 Microbiological studies of biofilms 217 References 219 10 Innovative Bioreactors and Two-Stage Systems 221 Eldon R. Rene, María C. Veiga and Christian Kennes 10.1 Introduction 221 10.2 Innovative bioreactor configurations 222 10.2.1 Planted biofilter 222 10.2.2 Rotatory-switching biofilter 223 10.2.3 Tubular biofilter 224 10.2.4 Fluidized-bed bioreactor 225 10.2.5 Airlift and bubble column bioreactors 227 10.2.6 Monolith bioreactor 229 10.2.7 Foam emulsion bioreactor 231 10.2.8 Fibrous bed bioreactor 233 10.2.9 Horizontal-flow biofilm reactor 234 10.3 Two-stage systems for waste gas treatment 235 10.3.1 Adsorption pre-treatment plus bioreactor 235 10.3.2 Bioreactor plus adsorption polishing 237 10.3.3 UV photocatalytic reactor plus bioreactor 237 10.3.4 Bioreactor plus bioreactor 240 10.4 Conclusions 242 References 243 III Bioprocesses for Specific Applications 247 11 Bioprocesses for the Removal of Volatile Sulfur Compounds from Gas Streams 249 Albert Janssen, Pim L.F. van den Bosch, Robert C. van Leerdam, and Marco de Graaff 11.1 Introduction 249 11.2 Toxicity of VOSCs to animals and humans 250 11.3 Biological formation of VOSCs 251 11.4 VOSC-producing and VOSC-emitting industries 252 11.4.1 VOSCs produced from biological processes 252 11.4.2 Chemical processes and industrial applications 252 11.4.3 Oil and gas 253 11.5 Microbial degradation of VOSCs 253 11.5.1 Aerobic degradation 253 11.5.2 Anaerobic degradation 254 11.5.3 Degradation via sulfate reduction 255 11.5.4 Anaerobic degradation of higher thiols 255 11.5.5 Inhibition of microorganisms 256 11.6 Treatment technologies for gas streams containing volatile sulfur compounds 256 11.6.1 Biofilters 256 11.6.2 Bioscrubbers 258 11.7 Operating experience from biological gas treatment systems 261 11.7.1 THIOPAQ process for H2S removal 266 11.8 Future developments 266 References 266 12 Bioprocesses for the Removal of Nitrogen Oxides 275 Yaomin Jin, Lin Guo, Osvaldo D. Frutos, María C. Veiga and Christian Kennes 12.1 Introduction 275 12.2 NOx and N2O emissions at wastewater treatment plants (WWTPs) 276 12.2.1 Nitrification 276 12.2.2 Denitrification 276 12.2.3 Parameters that affect the formation of nitrogen oxides 277 12.3 Recent developments in bioprocesses for the removal of nitrogen oxides 279 12.3.1 NOx removal 279 12.3.2 N2 O removal 285 12.4 Challenges in NOx treatment technologies 287 12.5 Conclusions 288 References 288 13 Biogas Upgrading 293 M. Estefanía López, Eldon R. Rene, María C. Veiga and Christian Kennes 13.1 Introduction 293 13.2 Biotechnologies for biogas desulphurization 294 13.2.1 Environmental aspects 294 13.2.2 The natural sulphur cycle and sulphur-oxidizing bacteria 294 13.2.3 Bioreactor configurations for hydrogen sulphide removal at laboratory scale 295 13.2.4 Case studies of biogas desulphurization in full-scale systems 302 13.3 Removal of mercaptans 306 13.4 Removal of ammonia and nitrogen compounds 307 13.5 Removal of carbon dioxide 308 13.6 Removal of siloxanes 309 13.7 Comparison between biological and non-biological methods 311 13.8 Conclusions 311 References 315 IV Environmentally-friendly Bioenergy 319 14 Biogas 321 Marta Ben, Christian Kennes and María C. Veiga 14.1 Introduction 321 14.2 Anaerobic digestion 321 14.2.1 A brief history 321 14.2.2 Overview of the anaerobic digestion process 323 14.3 Substrates 328 14.3.1 Agricultural and farming wastes 328 14.3.2 Industrial wastes 329 14.3.3 Urban wastes 333 14.3.4 Sewage sludge 333 14.4 Biogas 334 14.4.1 Biogas composition 334 14.4.2 Substrate influence on biogas composition 335 14.5 Bioreactors 335 14.5.1 Batch reactors 337 14.5.2 Continuously stirred tank reactor (CSTR) 337 14.5.3 Continuously stirred tank reactor with solids recycle (CSTR/SR) 337 14.5.4 Plug-flow reactor 337 14.5.5 Upflow anaerobic sludge blanket (UASB) 337 14.5.6 Attached film digester 338 14.5.7 Two-phase digester 338 14.6 Environmental impact of biogas 338 14.7 Conclusions 339 References 339 15 Biohydrogen 345 Bikram K. Nayak, Soumya Pandit and Debabrata Das 15.1 Introduction 345 15.1.1 Current status of hydrogen production and present use of hydrogen 346 15.1.2 Biohydrogen from biomass: present status 346 15.2 Environmental impacts of biohydrogen production 346 15.2.1 Air pollution due to conventional hydrocarbon-based fuel combustion 346 15.2.2 Biohydrogen, a zero-carbon fuel as a potential alternative 348 15.3 Properties and production of hydrogen 348 15.3.1 Properties of zero-carbon fuel 348 15.3.2 Biohydrogen production processes 350 15.4 Potential applications of hydrogen as a zero-carbon fuel 363 15.4.1 Transport sector 363 15.4.2 Fuel cells 366 15.5 Policies and economics of hydrogen production 371 15.5.1 Economics of biohydrogen production 372 15.6 Issues and barriers 373 15.7 Future prospects 374 15.8 Conclusion 375 Acknowledgements 375 References 375 16 Catalytic Biodiesel Production 383 Zhenzhong Wen, Xinhai Yu, Shan-Tung Tu and Jinyue Yan 16.1 Introduction 383 16.2 Trends in biodiesel production 384 16.2.1 Reactors 384 16.2.2 Catalysts 389 16.3 Challenges for biodiesel production at industrial scale 393 16.3.1 Economic analysis 393 16.3.2 Ecological considerations 393 16.4 Recommendations 394 16.5 Conclusions 395 References 395 17 Microalgal Biodiesel 399 Hugo Pereira, Helena M. Amaro, Nadpi G. Katkam, Luísa Barreira, A. Catarina Guedes, João Varela and F. Xavier Malcata 17.1 Introduction 399 17.2 Wild versus modified microalgae 402 17.3 Lipid extraction and purification 404 17.3.1 Mechanical methods 405 17.3.2 Chemical methods 406 17.4 Lipid transesterification 407 17.4.1 Acid-catalyzed transesterification 408 17.4.2 Base-catalyzed transesterification 408 17.4.3 Heterogeneous acid/base-catalyzed transesterification 410 17.4.4 Lipase-catalyzed transesterification 410 17.4.5 Ionic liquid-catalyzed reactions 411 17.5 Economic considerations 412 17.5.1 Competition between microalgal biodiesel and biofuels 412 17.5.2 Main challenges to biodiesel production from microalgae 413 17.5.3 Economics of biodiesel production 414 17.6 Environmental considerations 415 17.6.1 Uptake of carbon dioxide 416 17.6.2 Upgrade of wastewaters 416 17.6.3 Management of microalgal biomass 417 17.7 Final considerations 418 17.7.1 Current state 418 17.7.2 Future perspectives 418 Acknowledgements 420 References 420 18 Bioethanol 431 Johan W. van Groenestijn, Haris N. Abubackar, María C. Veiga and Christian Kennes 18.1 Introduction 431 18.2 Fermentation of lignocellulosic saccharides to ethanol 432 18.2.1 Raw materials 432 18.2.2 Pretreatment 434 18.2.3 Production of inhibitors 439 18.2.4 Hydrolysis 439 18.2.5 Fermentation 440 18.3 Syngas conversion to ethanol – biological route 441 18.3.1 Sources of carbon monoxide 441 18.3.2 The Wood–Ljungdahl pathway involved in the bioconversion of carbon monoxide 445 18.3.3 Parameters affecting the bioconversion of carbon monoxide to ethanol 446 18.4 Demonstration projects 450 18.5 Comparison of conventional fuels and bioethanol (corn, cellulosic, syngas) on air pollution 451 18.6 Key problems and future research needs 455 18.7 Conclusions 456 Acknowledgements 456 References 456 V Case Studies 465 19 Biotrickling Filtration of Waste Gases from the Viscose Industry 467 Andreas Willers, Christian Dressler and Christian Kennes 19.1 The waste-gas situation in the viscose industry 467 19.1.1 The viscose process 467 19.1.2 Overview of emission points 468 19.1.3 Technical solutions to treat the emissions 469 19.1.4 Potential to use biotrickling filters in the viscose industry 470 19.2 Biological CS2 and H2 S oxidation 471 19.3 Case study of biological waste-gas treatment in the casing industry 472 19.3.1 Products from viscose 472 19.3.2 Process flowsheet of fibre-reinforced cellulose casing (FRCC) 473 19.3.3 Alternatives for biotrickling filter configurations 473 19.3.4 Characteristics of the CaseTech plant 475 19.3.5 Description of the BioGat installation 475 19.3.6 Performance of the BioGat process 475 19.4 Conclusions 484 References 484 20 Biotrickling Filters for Removal of Volatile Organic Compounds from Air in the Coating Sector 485 Carlos Lafita, F. Javier Álvarez-Hornos, Carmen Gabaldón, Vicente Martínez-Soria and Josep-Manuel Penya-Roja 20.1 Introduction 485 20.2 Case study 1: VOC removal in a furniture facility 486 20.2.1 Characterization of the waste-gas sources 486 20.2.2 Design and operation of the system 487 20.2.3 Performance data 488 20.2.4 Economic aspects 490 20.3 Case study 2: VOC removal in a plastic coating facility 491 20.3.1 Characterization of the waste-gas sources 492 20.3.2 Design and operation of the system 492 20.3.3 Performance data 493 20.3.4 Economic aspects 495 Acknowledgements 496 References 496 21 Industrial Bioscrubbers for the Food and Waste Industries 497 Pierre Le Cloirec and Philippe Humeau 21.1 Introduction 497 21.2 Food industry emissions 498 21.2.1 Identification and quantification of waste-gas emissions 498 21.2.2 Choice of the technology 498 21.2.3 Design and operating conditions 500 21.2.4 Performance of the system 503 21.3 Bioscrubbing treatment of gaseous emissions from waste composting 503 21.3.1 Waste-gas emissions: nature, concentrations, and flow 503 21.3.2 Choice of the gas treatment process 504 21.3.3 Design and operating conditions 505 21.3.4 Gas collection system 507 21.3.5 Gas treatment system 508 21.3.6 Performance of the overall system 509 21.4 Conclusions and perspectives 510 References 510 22 Desulfurization of biogas in biotrickling filters 513 David Gabriel, Marc A. Deshusses and Xavier Gamisans 22.1 Introduction 513 22.2 Microbiology and stoichiometry of sulfide oxidation 514 22.2.1 Microbiology of sulfide oxidation 514 22.2.2 Stoichiometry of sulfide biological oxidation 515 22.3 Case study background and description of biotrickling filter 517 22.3.1 Site description 517 22.3.2 Biotrickling filter design 517 22.4 Operational aspects of the full-scale biotrickling filter 519 22.4.1 Start-up and biotrickling filter performance 519 22.4.2 Facing operational and design challenges 520 22.5 Economic aspects of desulfurizing biotrickling filters 522 References 522 23 Full-Scale Biogas Upgrading 525 Jort Langerak, Robert Lems and Erwin H.M. Dirkse 23.1 Introduction 525 23.2 Case 1: Zalaegerszeg, PWS system with car fuelling station 526 23.2.1 Biogas composition and biomethane requirements at Zalaegerszeg 526 23.2.2 Plant configuration at Zalaegerszeg 526 23.3 Case 2: Zwolle, PWS system with gas grid injection 529 23.3.1 Biogas composition and biomethane requirements at Zwolle 531 23.3.2 Plant configuration at Zwolle 531 23.4 Case 3: Wijster, PWS system with gas grid injection 534 23.4.1 Biogas composition and biomethane requirements at Wijster 534 23.4.2 Plant configuration at Wijster 534 23.5 Case 4: Poundbury, MS system with gas grid injection 536 23.5.1 Biogas composition and biomethane requirements at Poundbury 537 23.5.2 Plant configuration at Poundbury 537 23.6 Configuration overview and evaluation 539 23.7 Capital and operational expenses 540 23.7.1 Zalaegerszeg 540 23.7.2 Zwolle 541 23.7.3 Wijster 541 23.7.4 Poundbury 541 23.7.5 Overview table of capital and operating expenses 541 23.8 Conclusions 542 References 543 Index 545

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Book SynopsisSustainability has come to the fore in the cosmetics and personal care industry. Rising ethical consumerism and the need for resource efficiency are making cosmetic companies small, independent firms to global giants take steps towards sustainable development.Trade Review“Amarjit Sahota’s book is a well-researched and comprehensive snapshot on the different facets of sustainability in cosmetics today. This is the first, and currently, the only book on this hot topic; it’s a must read.” (Chemistry & Industry, 14 July 2014) “This publication from Wiley collects a wide number of articles focusing on sustainability in cosmetics, 14 chapters, which represents a road map in this so sensitive issue. The authors are key experts from organizations involved in sustainability in the cosmetics industry issue with a relevant long experience.” (H & PC Today, March/April 2014)Table of ContentsAbout the Contributors xv Foreword xxiii Preface xxvii 1 Introduction to Sustainability 1 Amarjit Sahota 1.1 Introduction to Book 1 1.2 Introduction to Sustainability 2 1.3 Ethics in the Cosmetics Industry 3 1.4 Drivers of Sustainability 6 1.4.1 Rise in Ethical Consumerism 7 1.4.2 Pressure from the Media and NGOs 7 1.4.3 Environmental Changes and Finite Resources 8 1.4.4 Pressure from the Supply Chain 9 1.4.5 Laws and Regulation 9 1.4.6 Business Benefits 10 1.5 Sustainability Reporting 10 1.5.1 CSR and Sustainability Reports 10 1.5.2 Communicating to Consumers 11 1.6 Guide to Book Chapters 12 References 15 2 Environmental Impacts of Cosmetic Products 17 Part 1: The Growing Importance of Metrics 17 Xavier Vital 2.1.1 Corporate Carbon Footprinting 18 2.1.2 Ecodesign 25 2.1.3 Get Ready for the Future 27 2.1.4 Conclusions 30 Acknowledgement 31 References 31 Part 2: Innovating to Reduce the Environmental Footprint, the L’Oreal Example 31 Jean-Florent Campion, Rachel Barre, and Laurent Gilbert 2.2.1 Introduction 31 2.2.2 Product Eco-Design 32 2.2.3 Responsible Sourcing and Biodiversity Preservation 35 2.2.4 Responsible Production 38 2.2.5 Reference Actions – Some Examples of Key Achievements 40 2.2.6 Conclusion 46 Acknowledgements 46 References 46 3 The Social Footprint of a Beauty Company 47 Bas Schneiders 3.1 The Relationship between Cosmetics and Sustainability 47 3.2 The Growing Significance of Sustainability 48 3.2.1 Current Situation 48 3.2.2 Solution Strategies 49 3.3 Sustainability as a Social Challenge for Cosmetics Companies 50 3.3.1 Social Footprinting 50 3.3.2 Critical Areas with Social Impacts 50 3.3.3 Social Diversity and Differentiation 52 3.4 Case Study: Weleda: A Value-Oriented Business 53 3.4.1 Ethical Sourcing 55 3.4.2 Employee Policy 62 3.4.3 Corporate Philanthropy 65 3.4.4 Economic Sustainability and Value Creation 66 3.5 Conclusions 68 Recommended Reading 68 References 68 4 Ethical Sourcing of Raw Materials 69 Part 1: Ethical Sourcing – The Givaudan Approach 69 Remi Pulverail 4.1.1 The Business Case for Ethical Sourcing 69 4.1.2 Making Ethical Sourcing a Reality 70 4.1.3 Working with Customers 71 4.1.4 Building Supplier Partnerships 72 4.1.5 Securing the Future of Benzoin in Laos 72 4.1.6 Tracing the Origins of Ethical Vanilla in Madagascar 74 4.1.7 Moh´eli Partnership Rediscovers Ylang Ylang 76 4.1.8 Equipment Loans Support Sustainable Sandalwood Production 77 4.1.9 Protecting Biodiversity and Tonka Bean Supply in Venezuela 79 4.1.10 Is Natural Sustainable? 80 4.1.11 Conclusion 80 Part 2: Innovation and Ethical Sourcing – Beraca’s Experience 81 Filipe Tomazelli Sabara 4.2.1 Introduction 81 4.2.2 Challenges Related to Ethical Sourcing 82 4.2.3 Beraca and the Biodiversity Enhancement Programme 83 4.2.4 Working in Partnership with Local Communities 85 4.2.5 Success Stories 89 4.2.6 What is Yet to be Achieved 93 4.2.7 Conclusion 94 References 95 5 Biodiversity in the Cosmetics Industry 97 Eduardo Escobedo and Rik Kutsch Lojenga 5.1 Introduction 97 5.1.1 The Critical Loss of Biodiversity and Its Impact on the Cosmetics Industry 99 5.2 Why Should the Cosmetics Industry Care about Protecting Biodiversity? 100 5.2.1 Biodiversity as a Sound Business Strategy 101 5.2.2 Ecosystem Services 102 5.3 How is the Policy Arena Changing and What Implications Does This Have for the Industry? 103 5.3.1 The Convention on Biological Diversity 103 5.3.2 The Strategic Plan for Biodiversity 104 5.3.3 The Nagoya Protocol 106 5.3.4 The Convention on International Trade of Endangered Species of Wild Flora and Fauna (CITES) 107 5.4 Biodiversity Barometer: Consumer Views and Expectations on Biodiversity 109 5.4.1 Biodiversity Awareness is Growing 110 5.4.2 Increased Awareness Brings Greater Expectations 111 5.4.3 Opportunities for Pioneering Companies 111 5.5 Ethical Sourcing in Practice 114 5.5.1 Putting Ethical Sourcing of Biodiversity into Practice 114 5.5.2 Conservation of Biodiversity 116 5.5.3 Sustainable Use of Biodiversity 118 5.5.4 Fair and Equitable Benefit Sharing 120 5.6 Conclusions 124 References 125 6 Sustainable Packaging 127 Part 1: Introduction 127 Amarjit Sahota References 129 Part 2: Sustainable Packaging for Cosmetic Products – Using Biobased Carbon Content and Designing for End-of-Life 129 Ramani Narayan 6.2.1 Introduction 129 6.2.2 Carbon Footprint Value Proposition 130 6.2.3 Material Carbon Versus Process Carbon Footprint 131 6.2.4 Exemplars of Zero Material Carbon Footprint Resins 132 6.2.5 Measuring Biobased Carbon Content 134 6.2.6 End-of-Life for the Packaging – Recycling and Biodegradable-Compostability 135 6.2.7 Science of Biodegradability 136 6.2.8 Summary 138 References 139 Part 3: The Role of Design for Sustainable Packaging 139 Anne van Haeften 6.3.1 Introduction 139 6.3.2 The Design Agency 140 6.3.3 Packaging Design 141 6.3.4 The Brand 142 6.3.5 Innovation and Design 144 6.3.6 Graphical Component 144 6.3.7 Post-Use Packaging 145 6.3.8 Lush Case Study: Get Naked! 145 6.3.9 Conclusion 147 References 148 Part 4: Sustainable Packaging – Aveda Case Study 148 John A. Delfausse 6.4.1 A Commitment to the Environment – the Aveda Mission 148 6.4.2 Direction from the Top 148 6.4.3 A Great Beginning 149 6.4.4 Real Sustainability 153 7 Energy and Waste Management 155 Charles J. ‘Chuck’ Bennett and Michael S. Brown 7.1 Introduction to Energy and Waste Management in the Cosmetics Industry 155 7.1.1 Global Resource Constraints and the Challenge for Business 155 7.1.2 Energy Issues and the Cosmetics Industry 156 7.1.3 Wastes and Personal Care Products 158 7.2 Aveda – the Company 159 7.3 Energy Management in Aveda 161 7.3.1 Process Energy Opportunities 162 7.3.2 Facility Energy Improvements 162 7.3.3 Results and Current Situation 163 7.3.4 Renewable Energy and Emissions Offsets 164 7.3.5 Other Dimensions of Aveda’s Energy Management – Shipping and Product Use 166 7.4 Waste Management at Aveda 167 7.4.1 Waste Management in Operations 167 7.4.2 Recycling beyond Blaine 169 7.4.3 Products and Packaging 169 7.5 Summary 173 References 173 8 Corporate Social Responsibility and Philanthropy 175 Part 1: Introduction 175 Amarjit Sahota 8.1.1 Corporate Social Responsibility 175 8.1.2 Corporate Philanthropy 176 References 178 Part 2: BURT’S BEES® Case Study 178 Paula Alexander 8.2.1 Value-Driven Sustainability Leadership 180 8.2.2 The Greater Good Business Model: An Integrated Approach to Sustainability 181 8.2.3 Strategic Giving 184 8.2.4 Employee Engagement 186 8.2.5 Summary 188 References 188 Part 3: Dr. Bronner’s Magic Soaps: Business as Activism 189 David Bronner 8.3.1 Introduction 189 8.3.2 Company Background 189 8.3.3 Fair Trade Projects 191 8.3.4 Corporate Activism 194 8.3.5 Summary 195 9 Green Formulations and Ingredients 197 Judi Beerling 9.1 Introduction 197 9.2 Definitions 198 9.2.1 Synthetic Ingredient 198 9.2.2 Natural Ingredient 198 9.2.3 Naturally Derived Ingredient 199 9.2.4 Nature Identical Ingredient 199 9.2.5 Organic 199 9.3 How Natural are Current Market Products? 200 9.4 Synthetic Ingredients Normally Absent from Natural/Organic Cosmetics 202 9.5 Available Green Replacements for Synthetic Cosmetic Ingredients 204 9.6 Formulation Issues with Green Ingredients 214 9.7 Summary 214 References 215 10 Green Standards, Certification and Indices 217 Judi Beerling and Amarjit Sahota 10.1 Introduction 217 10.2 Natural and Organic Cosmetic Standards 218 10.2.1 Major European Standards for Natural and Organic Products 219 10.2.2 BDIH (Germany) 219 10.2.3 Ecocert Greenlife (France) 220 10.2.4 CosmeBio (France) 221 10.2.5 Soil Association (UK) 221 10.2.6 ICEA (Italy) 222 10.2.7 COSMOS 222 10.2.8 Natrue (Belgium) 224 10.2.9 Other European Standards 225 10.2.10 Major North American Standards 225 10.2.11 USDA/NOP 226 10.2.12 NSF International 226 10.2.13 NPA (Natural Products Association) 227 10.2.14 Standards in Other Regions 228 10.2.15 Comparison of the Key Requirements of the Ecocert Greenlife, COSMOS and Natrue Standards 229 10.3 Fair Trade Labels 229 10.4 Other Eco-Labels 231 10.4.1 Eco Flower – The European Eco-Label 231 10.4.2 Nordic Swan – The Nordic Ecolabel 232 10.4.3 Others in Europe 232 10.4.4 Green Seal USA 232 10.4.5 USDA Biobased Product Certification 233 10.4.6 Carbon Labels 233 10.5 Other Sustainability Standards and Indices 234 10.5.1 ISO Standards 14000 and 26000 234 10.5.2 SA8000 235 10.5.3 Other Standards 236 10.5.4 Sustainable Indexes 236 References 237 11 Understanding Green Marketing 239 Darrin C. Duber-Smith and Mason W. Rubin 11.1 The “Why” of Sustainability 240 11.2 The Green Consumer 242 11.3 Best Green Practices 244 11.4 Communication versus Reality: The Many Shades of Green 245 11.4.1 Red Marketer 245 11.4.2 Green Panderer 247 11.4.3 Green Buffeteer 248 11.4.4 Light Green Marketer 249 11.4.5 Natural Green Marketer 250 11.4.6 Deep Green Marketer 251 11.5 Greener Than Thou 252 References 253 12 Marketing Case Studies 255 Part 1: Yes ToTM Inc. 255 Ido Leffler 12.1.1 The Background 255 12.1.2 The Growth Path 256 12.1.3 Marketing Strategy 259 12.1.4 Product Positioning 262 12.1.5 Distribution Growth and Brand Extensions 263 12.1.6 Future Plans 264 Part 2: Korres Natural Products 265 12.2.1 George Korres From Herbal Remedies to Natural Products 265 12.2.2 The Challenge 267 12.2.3 Vision and Strategy 268 12.2.4 Target Audience 270 12.2.5 The Portfolio at a Glance 270 12.2.6 Marketing and Positioning 271 12.2.7 Beauty Made Honest 272 12.2.8 Sustainability 273 12.2.9 Global Presence 274 12.2.10 A Closer Look 276 12.2.11 A Success Case Study Starring . . . the Product 277 12.2.12 The Future 277 Part 3: Whole Foods Market 278 Jody Villecco 12.3.1 Introduction 278 12.3.2 Body Care Quality Standards 279 12.3.3 Whole Body Responsible Packaging 285 12.3.4 Organic Body Care Labeling Standards 286 12.3.5 Industry Recognition 287 12.3.6 Conclusion 287 References 288 13 Targeting the Green Consumer 289 Kathy Sheehan 13.1 Introduction 289 13.2 United States 292 13.3 Western Europe 295 13.4 China 296 13.5 Latin America 298 13.6 Conclusions 300 14 Future Outlook 301 Amarjit Sahota 14.1 Preamble 301 14.2 Sustainability 301 14.3 Social Dimensions 303 14.4 Green Cosmetics 305 14.5 Responsible Consumption 308 14.6 Role of Government and Legislation 310 14.7 Benchmarking of Cosmetic Companies 311 14.8 Conclusions 312 References 314 Index

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Book SynopsisOver the last three decades a lot of research on the role of metals in biochemistry and medicine has been done. As a result many structures of biomolecules with metals have been characterized and medicinal chemistry studied the effects of metal containing drugs.Table of ContentsContributors xi Series Preface xix Volume Preface xxi PART 1: INTRODUCTION 1 Mechanisms Controlling the Cellular Metal Economy 3 Benjamin A. Gilston and Thomas V. O’Halloran PART 2: PROBING METALS AND CROSS TALK IN THE METALLOME 15 The Metallome 17 Vadim N. Gladyshev and Yan Zhang Cyanobacterial Models that Address Cross-Talk in Metal Homeostasis 39 Carl J. Patterson, Rafael Pernil, Andrew W. Foster and Nigel J. Robinson Sparing and Salvaging Metals in Chloroplasts 51 Crysten E. Blaby-Haas and Sabeeha S. Merchant Fluorescent Probes for Monovalent Copper 65 M. Thomas Morgan, Pritha Bagchi and Christoph J. Fahrni Fluorescent Zinc Sensors 85 Amy E. Palmer, Jose G. Miranda and Kyle P. Carter X-Ray Fluorescence Microscopy 99 James E. Penner-Hahn PART 3: MOVING METALS IN CELLS 111 Iron and Heme Transport and Trafficking 113 Yvette Y. Yien and Barry H. Paw Iron in Plants 131 Jessica B. Weng and Mary Lou Guerinot Transport of Nickel and Cobalt in Prokaryotes 145 Thomas Eitinger Transport Mechanism and Cellular Functions of Bacterial Cu(I)-ATPases 155 Jose M. Arguello, Teresita Padilla-Benavides and Jessica M. Collins Copper Transport in Fungi 163 Simon Labbe, Jude Beaudoin and Raphael Ioannoni Structural Biology of Copper Transport 175 Adrian G. Flores, Christopher R. Pope and Vinzenz M. Unger Zinc Transporters and Trafficking in Yeast 183 Yi-Hsuan Wu and David J. Eide Cadmium Transport in Eukaryotes 195 Nathan Smith, Wenzhong Wei and Jaekwon Lee PART 4: METALS IN REGULATION 207 Metal Specificity of Metallosensors 209 Khadine A. Higgins and David P. Giedroc Metal Homeostasis and Oxidative Stress in Bacillus subtilis 225 Zhen Ma and John D. Helmann Regulation of Manganese and Iron Homeostasis in the Rhizobia and Related α-Proteobacteria 237 Mark R. O’Brian The Iron Starvation Response in Saccharomyces cerevisiae 249 Caroline C. Philpott and Pamela M. Smith Hepcidin Regulation of Iron Homeostasis 265 Clara Camaschella and Laura Silvestri NikR: Mechanism and Function in Nickel Homeostasis 277 Michael D. Jones, Andrew M. Sydor and Deborah B. Zamble Regulation of Copper Homeostasis in Plants 289 Marinus Pilon and Wiebke Tapken Regulation of Zinc Transport 301 Taiho Kambe Selenoproteins—Regulation 311 Lucia A. Seale and Marla J. Berry PART 5: METALS IN CELLULAR DAMAGE AND DISEASE 321 Metals in Bacterial Pathogenicity and Immunity 323 Jennifer S. Cavet Manganese in Neurodegeneration 335 Daiana Silva Avila, Robson Luiz Puntel, Felix Antunes Soares, Joao Batista Teixeira da Rocha and Michael Aschner Iron Sequestration in Immunity 349 Colin Correnti and Roland K. Strong Molecular Basis of Hemochromatosis 361 Paul J. Schmidt Copper in Brain and Neurodegeneration 373 Jeffrey R. Liddell, Ashley I. Bush and Anthony R. White Copper Transporting ATPases in Mammalian Cells 395 Nan Yang and Svetlana Lutsenko Copper in Immune Cells 409 Karrera Y. Djoko, Maud E.S. Achard and Alastair G. McEwan Selenoenzymes and Selenium Trafficking: An Emerging Target for Therapeutics 421 William Self and Sarah Rosario Resistance Pathways for Metalloids and Toxic Metals 429 Zijuan Liu, Christopher Rensing and Barry P. Rosen PART 6: COFACTOR ASSEMBLY 443 Fe–S Cluster Biogenesis in Archaea and Bacteria 445 Harsimranjit K. Chahal, Jeff M. Boyd and F. Wayne Outten Mitochondrial Iron Metabolism and the Synthesis of Iron–Sulfur Clusters 473 Andrew Dancis and Paul A. Lindahl [FeFe]-Hydrogenase Cofactor Assembly 491 Eric M. Shepard, Amanda S. Byer, Eric S. Boyd, Kevin D. Swanson, John W. Peters and Joan B. Broderick [NiFe]-Hydrogenase Cofactor Assembly 507 Basem Soboh and R. Gary Sawers Copper in Mitochondria 517 Katherine E. Vest and Paul A. Cobine Mo Cofactor Biosynthesis and Crosstalk with FeS 529 Florian Bittner and Ralf R. Mendel Nitrogenase Cofactor Assembly 543 Jared A. Wiig, Chi Chung Lee, Markus W. Ribbe and Yilin Hu Index 555

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Book SynopsisChemistry and Technology of Emulsion Polymerisation 2e provides a practical and intuitive explanation of emulsion polymerization, in combination with both conventional and controlled radical polymerization. For those working in industry, coupling theory with everyday practice can be difficult.Table of ContentsList of Contributors xi Abbreviations xiii List of Frequently Used Symbols xvii Introduction to the Second Edition xix Introduction to the First Edition xxi 1 Historic Overview 1 Finn Knut Hansen 1.1 The Early Stages 1 1.2 The Second Half of the Twentieth Century 9 1.2.1 Product Development 9 1.2.2 Kinetic Theory 11 1.2.3 Emulsion Polymerisation in Monomer Droplets 19 1.2.4 Industrial Process Control and Simulation 21 2 Introduction to Radical (Co)Polymerisation 23 A.M. van Herk 2.1 Mechanism of Free Radical Polymerisation 23 2.2 Rate of Polymerisation and Development of Molecular Mass Distribution 25 2.2.1 Rate of Polymerisation 25 2.2.2 Kinetic Chain Length 26 2.2.3 Chain Length Distribution 27 2.2.4 Temperature and Conversion Effects 30 2.3 Radical Transfer Reactions 31 2.3.1 Radical Transfer Reactions to Low Molecular Mass Species 31 2.3.2 Radical Transfer Reactions to Polymer 32 2.4 Radical Copolymerisation 34 2.4.1 Derivation of the Copolymerisation Equation 34 2.4.2 Types of Copolymers 37 2.4.3 Polymerisation Rates in Copolymerisations 39 2.5 Controlled Radical Polymerisation 41 3 Emulsion Polymerisation 43 A.M. van Herk and R.G. Gilbert 3.1 Introduction 43 3.2 General Aspects of Emulsion Polymerisation 44 3.3 Basic Principles of Emulsion Polymerisation 46 3.4 Particle Nucleation 47 3.5 Particle Growth 51 3.5.1 The Zero-One and Pseudo-Bulk Dichotomy 52 3.5.2 Zero-One Kinetics 53 3.5.3 Pseudo-Bulk Kinetics 55 3.5.4 Systems between Zero-One and Pseudo-Bulk 57 3.6 Ingredients in Recipes 57 3.6.1 Monomers 58 3.6.2 Initiators 58 3.6.3 Surfactants 58 3.6.4 Other Ingredients 59 3.7 Emulsion Copolymerisation 59 3.7.1 Monomer Partitioning in Emulsion Polymerisation 59 3.7.2 Composition Drift in Emulsion Co- and Terpolymerisation 63 3.7.3 Process Strategies in Emulsion Copolymerisation 64 3.8 Particle Morphologies 66 3.8.1 Core–Shell Morphologies 68 4 Emulsion Copolymerisation, Process Strategies 75 Jose Ramon Leiza and Jan Meuldijk 4.1 Introduction 75 4.2 Monomer Partitioning 79 4.2.1 Slightly and Partially Water Miscible Monomers 79 4.2.2 Consequences of Monomer Partitioning for the Copolymer Composition 84 4.3 Process Strategies 86 4.3.1 Batch Operation 86 4.3.2 Semi-Batch Operation 89 4.3.3 Control Opportunities 92 5 Living Radical Polymerisation in Emulsion and Miniemulsion 105 Bernadette Charleux, Michael J. Monteiro, and Hans Heuts 5.1 Introduction 105 5.2 Living Radical Polymerisation 106 5.2.1 General/Features of a Controlled/Living Radical Polymerisation 106 5.2.2 Reversible Termination 108 5.2.3 Reversible Chain Transfer 116 5.3 Nitroxide-Mediated Polymerisation in Emulsion and Miniemulsion 119 5.3.1 Introduction 119 5.3.2 Control of Molar Mass and Molar Mass Distribution 120 5.3.3 Synthesis of Block and Random or Gradient Copolymers via (Mini)Emulsion Polymerisation 125 5.3.4 Surfactant-Free Emulsion Polymerisation Using the Polymerisation-Induced Self-Assembly Technique 126 5.4 ATRP in Emulsion and Miniemulsion 126 5.4.1 Introduction 126 5.4.2 Direct ATRP 127 5.4.3 Reverse ATRP 130 5.4.4 Next Generation ATRP Techniques: SRNI and AGET 132 5.4.5 Some Concluding Remarks on ATRP in Emulsion 135 5.5 Reversible Chain Transfer in Emulsion and Miniemulsion 136 5.5.1 Low Cex Reversible Chain Transfer Agents 136 5.5.2 High Cex Reversible Chain Transfer Agents 137 5.6 Conclusion 143 6 Particle Morphology 145 Yuri Reyes Mercado, Elena Akhmastkaya, Jose Ramon Leiza, and Jose M. Asua 6.1 Introduction 145 6.2 Synthesis of Structured Polymer Particles 146 6.2.1 Emulsion Polymerisation 146 6.2.2 Miniemulsion Polymerisation 147 6.2.3 Physical Methods 148 6.3 Two-Phase Polymer–Polymer Structured Particles 148 6.3.1 Effect of Grafting 152 6.4 Two-Phase Polymer–Inorganic Particles 153 6.5 Multiphase Systems 156 6.6 Effect of Particle Morphology on Film Morphology 162 6.6.1 Modelling Film Morphology 165 Acknowledgements 165 7 Colloidal Aspects of Emulsion Polymerisation 167 Brian Vincent 7.1 Introduction 167 7.2 The Stabilisation of Colloidal Particles against Aggregation 168 7.3 Pair-Potentials in Colloidal Dispersions 170 7.3.1 Core–Core Interactions 170 7.3.2 Structural Interactions: (i) Those Associated with the Solvent 171 7.3.3 Structural Interactions: (ii) Electrical Double Layer Overlap 173 7.3.4 Structural Interactions: (iii) Adsorbed Polymer Layer Overlap 175 7.4 Weak Flocculation and Phase Separation in Particulate Dispersions 179 7.5 Aggregate Structure and Strength 184 8 Analysis of Polymer Molecules including Reaction Monitoring and Control 187 Peter Schoenmakers 8.1 Sampling and Sample Handling 188 8.1.1 Sampling 188 8.1.2 Sample Preparation 188 8.2 Monomer Conversion 189 8.3 Molar Mass 190 8.3.1 Molar-Mass Distributions 191 8.4 Chemical Composition 197 8.4.1 Average Chemical Composition 197 8.4.2 Molar-Mass Dependent Chemical Composition 199 8.4.3 Chemical-Composition Distributions 202 8.4.4 Two-Dimensional Distributions 207 8.5 Detailed Molecular Characterization 210 8.5.1 Chain Regularity 210 8.5.2 Branching 212 9 Particle Analysis 213 Ola Karlsson and Brigitte E.H. Schade 9.1 Introduction 213 9.2 Particle Size and Particle Size Distribution 214 9.2.1 Introduction 214 9.2.2 Average Particle Diameter 216 9.2.3 Particle Size Distribution 216 9.3 Sampling 216 9.4 Particle Size Measurement Methods 217 9.4.1 Ensemble Techniques 218 9.4.2 Particle Separation Methods 224 9.5 Comparison of Methods 233 9.5.1 Choice of a Method 235 9.6 Particle Shape, Structure and Surface Characterisation 236 9.6.1 Introduction to Particle Shape, Structure and Surface Characterisation 236 9.6.2 Classification of the Samples 238 9.6.3 General Considerations – Sample Preparation If the Latex is Film Forming 238 9.7 Discussion of the Available Techniques 239 9.7.1 Optical Microscopy (OM) 239 9.7.2 Atomic Force Microscopy (AFM) 240 9.7.3 Electron Microscopy 243 9.7.4 Indirect Analysis of Particle Morphology 248 9.7.5 Surface Characterisation 249 9.7.6 Cleaning of Latexes 250 9.7.7 Analyses of Particle Charge 250 9.7.8 Additional Techniques Used for Latex Particle Surface Characterisation 250 9.7.9 Zeta Potential 251 10 Large Volume Applications of Latex Polymers 253 Dieter Urban, Bernhard Schuler, and J¨urgen Schmidt-Th¨ummes 10.1 Market and Manufacturing Process 253 10.1.1 History and Market Today 253 10.1.2 Manufacturing Process 254 10.2 Paper and Paperboard 254 10.2.1 The Paper Manufacturing Process 254 10.2.2 Surface Sizing 255 10.2.3 Paper Coating 256 10.3 Paints and Coatings 262 10.3.1 Technology Trends 263 10.3.2 Raw Materials for Water-Borne Coating Formulations 264 10.3.3 Decorative Coatings 269 10.3.4 Protective and Industrial Coatings 271 10.4 Adhesives 271 10.4.1 Design of Emulsion Polymer Adhesives 272 10.4.2 Formulation Additives 276 10.4.3 Adhesive Applications 277 10.4.4 Adhesive Test Methods 279 10.5 Carpet Backing 280 10.5.1 Carpet Backing Binders 281 10.5.2 Carpet Backing Compounds 281 10.5.3 Application Requirements 282 Acknowledgements 282 11 Specialty Applications of Latex Polymers 283 Christian Pichot, Thierry Delair, and Haruma Kawaguchi 11.1 Introduction 283 11.2 Specific Requirements for the Design of Specialty Latex Particles 284 11.2.1 Nature of the Polymer 284 11.2.2 Particle Size and Size Distribution 285 11.2.3 Particle Morphology 285 11.2.4 Nature of the Interface 286 11.2.5 Surface Potential 287 11.2.6 Colloidal Stability 287 11.2.7 Functionality 287 11.3 Preparation Methods of Latex Particles for Specialty Applications 288 11.3.1 Radical-Initiated Polymerisation in Heterogeneous Media 288 11.3.2 Modification of Particles and Related Methods 290 11.3.3 Formulation of Colloidal Dispersions from Pre-Formed Polymers 293 11.4 Applications 294 11.4.1 Non-Biomedical Applications 294 11.4.2 Biological, Biomedical and Pharmaceutical Applications 299 11.5 Conclusions 304 References 307 Index 337

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Book SynopsisThis book gives the reader an introduction to the field of surfactants in solution as well as polymers in solution. Starting with an introduction to surfactants the book then discusses their environmental and health aspects. Chapter 3 looks at fundamental forces in surface and colloid chemistry. Chapter 4 covers self-assembly and 5 phase diagrams. Chapter 6 reviews advanced self-assembly while chapter 7 looks at complex behaviour. Chapters 8 to 10 cover polymer adsorption at solid surfaces, polymers in solution and surface active polymers, respectively. Chapters 11 and 12 discuss adsorption and surface and interfacial tension, while Chapters 13- 16 deal with mixed surfactant systems. Chapter 17, 18 and 19 address microemulsions, colloidal stability and the rheology of polymer and surfactant solutions. Wetting and wetting agents, hydrophobization and hydrophobizing agents, solid dispersions, surfactant assemblies, foaming, emulsions and emulsifiers and microemulsions for soil and oil reTrade Review“It is definitely of great value to practitioners in the surface chemistry field.” (Chemistry in Australia, 1 July 2015)Table of ContentsPreface xiii Acronyms xv 1 Types of Surfactants, their Synthesis, and Applications 1 2 Environmental and Health Aspects of Surfactants 49 3 Two Fundamental Forces in Surface and Colloid Chemistry 65 4 Surfactant Self-Assembly: General Aspects and Spherical Micelles 75 5 Introduction to Phase Diagrams 95 6 Surfactant Self-Assembly: Beyond the Spherical Micelle 113 7 Surfactants and Polymers Containing Oxyethylene Groups Show a Complex Behavior 137 8 Surfactant Adsorption at Solid Surfaces 153 9 Polymers in Solution 175 10 Surface Active Polymers 197 11 Adsorption of Polymers at Solid Surfaces 211 12 Surface and Interfacial Tension 231 13 Mixed Surfactant Systems 251 14 Surfactant–Polymer Systems 271 15 Surfactant–Protein Mixtures 295 16 Surfactant–Polymer Mixtures at Interfaces 305 17 Microemulsions 315 18 Colloidal Stability 335 19 An Introduction to the Rheology of Polymer and Surfactant Solutions 361 20 Wetting and Wetting Agents, Hydrophobization and Hydrophobizing Agents 377 21 Solid Dispersions 391 22 Surfactant Assemblies as Templates 403 23 Foaming of Surfactant Solutions 419 24 Emulsions and Emulsifiers 431 25 Microemulsions for Soil and Oil Removal 447 Index 467

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Book SynopsisCovers the entire evolutionary spectrum of biomass, from its genetic modification and harvesting, to conversion technologies, life cycle analysis, and its value to the current global economy This original textbook introduces readers to biomassa renewable resource derived from forest, agriculture, and organic-based materialswhich has attracted significant attention as a sustainable alternative to petrochemicals for large-scale production of fuels, materials, and chemicals. The current renaissance in the manipulation and uses of biomass has been so abrupt and focused, that very few educational textbooks actually cover these topics to any great extent. That's why this interdisciplinary text is a welcome resource for those seeking a better understanding of this new discipline. It combines the underpinning science of biomass with technology applications and sustainability considerations to provide a broad focus to its readers. Introduction to Renewable BiomaterialTable of ContentsList of Contributors xiii Preface xv 1 Fundamental Biochemical and Biotechnological Principles of Biomass Growth and Use 1Manfred Kircher 1.1 Learning Objectives 1 1.2 Comparison of Fossil-Based versus Bio-Based Raw Materials 2 1.2.1 The Nature of Fossil Raw Materials 2 1.2.2 Industrial Use 3 1.2.2.1 Energy 3 1.2.2.2 Chemicals 4 1.2.3 Expectancy of Resources 8 1.2.4 Green House Gas (GHG) Emission 8 1.2.5 Regional Pillars of Competitiveness 9 1.2.6 Questions for Further Consideration 11 1.3 The Nature of Bio-Based RawMaterials 11 1.3.1 Oil Crops 11 1.3.2 Sugar Crops 13 1.3.3 Starch Crops 14 1.3.4 Lignocellulosic Plants 15 1.3.5 Lignocellulosic Biomass 16 1.3.6 Algae 16 1.3.7 Plant Breeding 17 1.3.8 Basic Transformation Principles 17 1.3.8.1 First Generation 17 1.3.8.2 Second Generation 18 1.3.8.3 Third Generation 18 1.3.9 Industrial Use 18 1.3.9.1 Energy 18 1.3.9.2 Chemicals 20 1.3.9.3 Biocatalysts 22 1.3.9.4 Pharmaceuticals 23 1.3.9.5 Nutrition 24 1.3.9.6 Polymers 24 1.3.10 Expectancy of Resources 26 1.3.11 Green House Gas Emission 26 1.3.12 Regional Pillars of Competitiveness 27 1.3.13 Questions for Further Consideration 29 1.4 General Considerations Surrounding Bio-Based Raw Materials 29 1.4.1 Economical Challenges 29 1.4.2 Feedstock Demand Challenges 30 1.4.3 Ecological Considerations 31 1.4.4 Societal Considerations 31 1.4.4.1 Food Security 31 1.4.4.2 Public Acceptance 32 1.5 Research Advances Made Recently 32 1.5.1 First-Generation Processes and Products 32 1.5.2 Second-Generation Processes and Products 33 1.5.3 Third-Generation Processes and Products 33 1.6 Prominent ScientistsWorking in this Arena 34 1.7 Summary 35 1.8 Study Problems 35 1.9 Key References 36 References 36 2 Fundamental Science and Applications for Biomaterials 39Ali S. Ayoub and Lucian A. Lucia 2.1 Introduction 39 2.2 What are the Biopolymers that Encompass the Structure and Function of Lignocellulosics? 39 2.2.1 Cellulose 40 2.2.2 Heteropolysaccharides 43 2.2.3 Lignin 45 2.2.4 The Discovery of Cellulose and Lignin 47 2.3 Chemical Reactivity of Cellulose, Heteropolysaccharides, and Lignin 48 2.3.1 Cellulose Reactivity 48 2.3.1.1 ReactivityMeasurements 50 2.3.1.2 Dissolving-Grade Pulps 51 2.3.1.3 Converting Paper-Grade Pulps into Dissolving-Grade Pulps 51 2.3.2 Hemicellulose Reactivity 51 2.3.2.1 Structural Characterization of Hemicellulose 52 2.3.3 Lignin Reactivity 53 2.4 Composite as a Unique Application for Renewable Materials 53 2.4.1 Rationale and Significance 54 2.4.2 Starch-Based Materials 55 2.4.3 Starch-Based Plastics 56 2.4.3.1 Novamont 57 2.4.3.2 Cereplast 58 2.4.3.3 Ecobras 58 2.4.3.4 Biotec 58 2.4.3.5 Plantic 59 2.4.3.6 Biolice 59 2.4.3.7 KTM Industries 59 2.4.3.8 Cerestech, Inc. 59 2.4.3.9 Teknor Apex 60 2.5 Question for Further Consideration 60 References 60 3 Conversion Technologies 63Maurycy Daroch 3.1 Learning Objectives 63 3.2 Energy Scenario at Global Level 63 3.2.1 Why Our Energy is so Important? 63 3.2.2 Black Treasure Chest 64 3.2.3 Conventional Fossil Resources and their Alternatives 66 3.2.3.1 Light Crude Oil (Conventional Oil) 66 3.2.3.2 Coal 66 3.2.3.3 Natural Gas 66 3.2.3.4 Shale Oil (Tight Oil) 67 3.2.3.5 Oil Sands, Bitumen Extra Heavy Oil 67 3.2.3.6 Shale Gas 67 3.2.3.7 Methane (Gas) Hydrates 67 3.2.3.8 EROI – How Much Fuel in Fuel? 68 3.2.3.9 Environmental Effects of Fossil Resource Utilisation 69 3.3 Biomass 71 3.3.1 Renewable Energy and Renewable Carbon 71 3.3.2 Why Different Types of Biomass have the Properties they Have? 73 3.4 Biomass Conversion Methods 75 3.4.1 Conversion of Biochemical Energy Perspective 75 3.4.2 Overview of Biomass Conversion Technologies 78 3.4.3 Thermochemical Conversion of Biomass 78 3.4.4 Biomass Combustion 80 3.4.5 Gasification 81 3.4.6 Pyrolysis 84 3.4.7 Conversion of Oily Feedstocks 86 3.4.8 Biochemical Conversion of Biomass 88 3.4.8.1 Aerobic and Anaerobic Metabolisms 88 3.4.8.2 Central Metabolic Pathway under Anaerobic Conditions 89 3.4.9 Harvesting Energy from Biochemical Processes 91 3.4.9.1 Ethanol Fermentation 91 3.4.9.2 ABE Fermentation 92 3.4.9.3 Biohydrogen 93 3.4.9.4 Biomethane 94 3.5 Metrics to Assist the Transition Towards Sustainable Production of Bioenergy and Biomaterials 95 3.5.1 EROI – PrimaryMetrics of Energy Carrier Efficiency 95 3.5.2 LCA – Sustainability Determinant 96 3.5.3 Environmental Assessment of Bioenergy Production Processes 97 3.5.3.1 Impacts Related to Land-Use Change 97 3.5.3.2 Impacts of Feedstock Cultivation 98 3.5.3.3 Impacts of Conversion Process 98 3.5.3.4 Impacts of Product Use 98 3.5.4 SustainabilityMetrics in Biomass and Bioenergy Policies 99 3.5.5 Renewable and Non-Renewable Carbon – Taxation and Subsidies 99 3.6 Summary 102 3.7 Key References 102 References 103 4 Characterization Methods and Techniques 107Noppadon Sathitsuksanoh and Scott Renneckar 4.1 Philosophy Statement 107 4.2 Understanding the Characteristics of Biomass 107 4.3 Taking Precautions Prior to Setting Up Experiments for Biomass Analysis 108 4.4 Classifying Biomass Sizes for Proper Analysis 109 4.5 Moisture Content of Biomass and Importance of Drying Samples Prior to Analysis 110 4.6 When the Carbon is Burned 111 4.7 Structural CellWall Analysis, What To Look For 112 4.8 Hydrolyzing Biomass and Determining Its Composition 114 4.8.1 Analyzing Filtrate by HPLC for Monosaccharide Contents 115 4.8.2 Choosing the HPLC Column and Its Operating Conditions 115 4.9 Determining CellWall Structures Through Spectroscopy and Scattering 116 4.9.1 Probing the Chemical Structure of Biomass 116 4.9.1.1 X-Ray Diffraction (XRD) 118 4.9.1.2 Cross-polarization/Magic Angle Spinning (CP/MAS) 13CNMR 119 4.9.1.3 Fourier-Transform Infrared Spectroscopy (FTIR) 121 4.9.1.4 Raman Analysis 122 4.10 Examining the Size of the Biopolymers: MolecularWeight Analysis 123 4.11 Intricacies of Understanding Lignin Structure 125 4.11.1 13CNMR 126 4.11.2 31P NMR 126 4.11.3 2D HSQC 128 4.11.4 Methoxyl Content Determination 132 4.11.4.1 1HNMR 132 4.11.4.2 Hydriodic Acid 132 4.11.4.3 Direct Methanol 132 4.12 Questions for Further Consideration 132 References 132 5 Introduction to Life-Cycle Assessment and Decision Making Applied to Forest Biomaterials 141Jesse Daystar and Richard Venditti 5.1 Introduction 141 5.1.1 What is LCA? 141 5.1.1.1 History 142 5.1.2 LCA for Decision Making 142 5.1.2.1 Eco-labels 143 5.2 LCA Components Overview 144 5.2.1 Goal and Scope Definition 145 5.2.2 Inventory Analysis 145 5.2.3 Life-Cycle Impact Assessment 146 5.2.4 Interpretation 146 5.3 Life-Cycle Assessment Steps 146 5.3.1 Goal, Scope, System Boundaries 146 5.3.1.1 Goal Definition 146 5.3.1.2 Scope Definition 147 5.3.1.3 Functional Unit 148 5.3.1.4 Cutoff Criteria 148 5.3.1.5 Problems Set – Goal and Scope Definition 148 5.3.2 Life-Cycle Inventory 150 5.3.2.1 Preparation of Data Collection Based on Goal and Scope 151 5.3.2.2 Data Collection 152 5.3.2.3 Data Quality 155 5.3.2.4 Coproduct Treatment – Allocation 157 5.3.2.5 Relating Data to the Unit Process 158 5.3.2.6 Relating Data to the Functional Unit 159 5.3.2.7 Data Aggregation 159 5.3.2.8 LCI Data Interpretation 159 5.3.2.9 Problems Set – Life-Cycle Inventory 160 5.3.2.10 Mandatory Elements 166 5.3.2.11 Classification 168 5.3.2.12 Characterization 169 5.3.2.13 Optional Elements 170 5.3.2.14 Life Cycle Impact Assessment Interpretation 173 5.3.2.15 Problems Set –Life-Cycle Impact Assessment 173 5.4 LCA Tools for Forest Biomaterials 177 5.4.1 FICAT 177 5.4.2 GREET Model 178 References 178 6 First Principles of Pretreatment and Cracking Biomass to Fundamental Building Blocks 181Amir Daraei Garmakhany and Somayeh Sheykhnazari 6.1 Introduction 181 6.1.1 What Is Lignocellulosic Material? 183 6.1.1.1 Lignocellulosic Materials 183 6.1.1.2 Cellulose 183 6.1.1.3 Hemicellulose 185 6.1.1.4 Lignin 187 6.2 What Difference Should Be Considered BetweenWood and Agricultural Biomass? 189 6.2.1 Intrapolymeric Bonds 190 6.2.2 Polymeric Inter Bonds 190 6.2.3 Functional Groups and Chemical Characteristics of Lignocellulosic Biomass Components 191 6.2.4 Aromatic Ring 191 6.2.5 Hydroxyl Group 192 6.2.6 Ether Bond 192 6.2.7 Ester Bond 192 6.2.8 Hydrogen Bond 194 6.3 Define Pretreatment 194 6.3.1 What Is the Purpose of Pretreatment? 194 6.4 Steps of Production of Cellulosic Ethanol 195 6.4.1 Pretreatment 195 6.4.2 Hydrolysis 195 6.4.3 What Are the Inhibitors for Biomass Carbohydrate Hydrolysis? 195 6.4.4 Fermentation 196 6.4.5 Formation of Fermentation Inhibitors 196 6.4.6 Sugars Degradation Products 196 6.4.7 Lignin Degradation Products 197 6.4.8 Acetic Acid 197 6.4.9 Inhibitory Extractives 197 6.4.10 Heavy Metal Ions 197 6.4.11 Separation 197 6.5 What Are the Key Considerations for Making a Successful Pretreatment Technology? 198 6.5.1 Effect of Pretreatment on Hydrolysis Process 199 6.6 What Are the GeneralMethods Used in Pretreatment? 199 6.7 What Is Currently Being Done and What Are the Advances? 200 6.7.1 Steam Explosion 201 6.7.2 Hydrothermolysis 204 6.7.3 High-Energy Irradiations 205 6.7.4 Acid Pretreatment 207 6.7.5 Mechanism of Acid Hydrolysis 208 6.7.6 Alkaline Pretreatment 208 6.7.7 Ammonia Pretreatment 210 6.7.8 Ammonia Recycle Percolation (ARP) 210 6.7.9 Ammonia Fiber Expansion (AFEX) 210 6.7.10 Defects of AFEX Process 210 6.7.11 Enzymatic Pretreatment 210 6.7.12 Advantages of Biological Pretreatment 211 6.7.13 Defects of Biological Pretreatment 211 6.8 Summary 211 References 212 7 Green Route to Prepare Renewable Polyesters fromMonomers: Enzymatic Polymerization 219Toufik Naolou 7.1 Philosophic Statement 219 7.2 Introduction 219 7.3 Lipase-Catalyzed Ring-Opening Polymerizations of Cyclic Monomeric Esters (Lactones and Lactides) 220 7.4 Lipase-Catalyzed Polycondensation 223 7.4.1 Dicarboxylic Acid or Its Esters with Diols 224 7.4.2 Dicarboxylic Acid or Its Esters with Polyols 225 7.4.3 Polyesters from Fatty Acid-Based Monomers 226 7.4.3.1 Lipase-Catalyzed Polycondensation of α, ω-Dicarboxylic Acids and Diols 226 7.4.3.2 Lipase-Catalyzed Polycondensation of Hydroxy Fatty Acids 227 7.4.3.3 Fatty Acids as Side Chains to Modify Functional Polyesters 228 7.4.4 Polyester Using Furan as Building Block 229 7.4.5 Conclusions and Remarks 230 7.4.6 Questions for Further Consideration 230 List of Abbreviations 230 References 231 8 Oil-Based and Bio-Derived Thermoplastic Polymer Blends and Composites 239Alessia Quitadamo, ValerieMassardier and Marco Valente 8.1 Introduction 239 8.2 Oil-Based and Bio-Derived Thermoplastic Polymer Blends 240 8.2.1 Comparison Between Oil-Based and Bio-DerivedThermoplastic Polymers 240 8.2.2 Thermoplastics Blends 246 8.3 Thermoplastic Composites with Natural Fillers 252 8.3.1 Wood–Plastic Composites 254 8.3.2 Waste Paper as Filler inThermoplastic Composites 260 8.4 Conclusion 263 8.5 Questions for Further Consideration 264 References 264 Index 269

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Book SynopsisIntegrating detailed methodology with basic interpretation of the commonly encountered diagnostic problems in electron microscopy, Diagnostic Electron Microscopy provides a basic stand-alone diagnostic 'how to' book.Trade Review“Thus, this book is a “must-have” for all pathology departments, even if they are not equipped with an EM facility, and it is also a solid proof of the current role of electron microscopy in health care.” (Microscopy & Microanalysis, 1 August 2013)Table of ContentsList of Contributors xvii Preface – Introduction xxi 1 Renal Disease 1 John W. Stirling and Alan Curry 1.1 The Role of Transmission Electron Microscopy (TEM) in Renal Diagnostics 1 1.2 Ultrastructural Evaluation and Interpretation 2 1.3 The Normal Glomerulus 3 1.3.1 The Glomerular Basement Membrane 4 1.4 Ultrastructural Diagnostic Features 5 1.4.1 Deposits: General Features 5 1.4.2 Granular and Amorphous Deposits 6 1.4.3 Organised Deposits: Fibrils and Tubules 7 1.4.4 Nonspecific Fibrils 11 1.4.5 General and Nonspecific Inclusions and Deposits 11 1.4.6 Fibrin 12 1.4.7 Tubuloreticular Bodies (Tubuloreticular Inclusions) 12 1.4.8 The Glomerular Basement Membrane 13 1.4.9 The Mesangial Matrix 14 1.4.10 Cellular Components of the Glomerulus 14 1.4.11 Parietal Epithelium 16 1.5 The Ultrastructural Pathology of the Major Glomerular Diseases 16 1.5.1 Diseases without, or with Only Minor, Structural GBM Changes 16 1.5.2 Diseases with Structural GBM Changes 19 1.5.3 Diseases with Granular Deposits 25 1.5.4 Diseases with Organised Deposits 40 1.5.5 Hereditary Metabolic Storage Disorders 46 References 47 2 Transplant Renal Biopsies 55 John Brealey 2.1 Introduction 55 2.2 The Transplant Renal Biopsy 55 2.3 Indications for Electron Microscopy of Transplant Kidney 56 2.3.1 Transplant Glomerulopathy 56 2.3.2 Recurrent Primary Disease 64 2.3.3 De Novo Glomerular Disease 72 2.3.4 Donor-Related Disease 74 2.3.5 Infection 74 2.3.6 Inconclusive Diagnosis by LM and/or IM 79 2.3.7 Miscellaneous Topics 81 References 84 3 Electron Microscopy in Skeletal Muscle Pathology 89 Elizabeth Curtis and Caroline Sewry 3.1 Introduction 89 3.1.1 The Biopsy Procedure 90 3.1.2 Sampling 90 3.1.3 Tissue Processing 90 3.1.4 Artefacts 91 3.2 Normal Muscle 91 3.3 Pathological Changes 96 3.3.1 Sarcolemma 96 3.3.2 Myofibrils 99 3.3.3 Glycogen 102 3.3.4 Cores 104 3.3.5 Target Fibres 105 3.3.6 Myonuclei 105 3.3.7 Mitochondria 106 3.3.8 Reticular System 108 3.3.9 Vacuoles 109 3.3.10 Capillaries 110 3.3.11 Other Structural Defects 111 References 113 4 The Diagnostic Electron Microscopy of Nerve 117 Rosalind King 4.1 Introduction 117 4.2 Tissue Processing 118 4.2.1 Preparation of Nerve Biopsy Specimens 118 4.3 Normal Nerve Ultrastructure 120 4.3.1 Axons 120 4.3.2 Schwann Cells 120 4.3.3 The Myelin Sheath 120 4.3.4 Node of Ranvier 122 4.3.5 Paranode 123 4.3.6 Juxtaparanode 123 4.3.7 Internode 123 4.3.8 Schmidt–Lanterman Incisures 124 4.3.9 Remak Fibres 124 4.3.10 Fibroblasts 124 4.3.11 Renaut Bodies 125 4.4 Pathological Ultrastructural Features 125 4.4.1 Axonal Degeneration 125 4.4.2 Axonal Regeneration 126 4.4.3 Remak Fibre Abnormalities 128 4.4.4 Polyglucosan Bodies 128 4.4.5 Nonspecific Axonal Inclusions 128 4.4.6 Demyelination and Remyelination 130 4.4.7 Specific Schwann Cell Inclusions 135 4.4.8 Nonspecific Schwann Cell Inclusions 136 4.4.9 Fibroblasts 142 4.4.10 Perineurial Abnormalities 142 4.4.11 Cellular Infiltration 143 4.4.12 Endoneurial Oedema 143 4.4.13 Connective Tissue Abnormalities 143 4.4.14 Endoneurial Blood Vessels 145 4.4.15 Mast Cells 145 4.5 Artefact 145 4.6 Conclusions 147 References 148 5 The Diagnostic Electron Microscopy of Tumours 153 Brian Eyden 5.1 Introduction 153 5.2 Principles and Procedures for Diagnosing Tumours by Electron Microscopy 154 5.2.1 The Objective of Tumour Diagnosis 154 5.2.2 The Intellectual Requirements for Tumour Diagnosis by Electron Microscopy 155 5.2.3 Technical Considerations 156 5.2.4 Identifying Good Preservation 158 5.2.5 Distinguishing Reactive from Neoplastic Cells 162 5.3 Organelles and Groups of Cell Structures Defining Cellular Differentiation 162 5.3.1 Rough Endoplasmic Reticulum 162 5.3.2 Melanosomes 165 5.3.3 Desmosomes 167 5.3.4 Tonofibrils 167 5.3.5 Basal Lamina 169 5.3.6 Glandular Epithelial Differentiation and Cell Processes 171 5.3.7 Neuroendocrine Granules 171 5.3.8 Smooth-Muscle Myofilaments 173 5.3.9 Sarcomeric Myofilaments (Thick-and-Thin Filaments with Z-Disks) 176 References 178 6 Microbial Ultrastructure 181 Alan Curry 6.1 Introduction 181 6.2 Practical Guidance 182 6.3 Viruses 183 6.4 Current Use of EM in Virology 185 6.5 Viruses in Thin Sections of Cells or Tissues 186 6.6 Bacteria 191 6.7 Fungal Organisms 194 6.8 Microsporidia 196 6.9 Parasitic Protozoa 206 6.9.1 Cryptosporidium 207 6.9.2 Isospora belli 211 6.10 Examples of Non-enteric Protozoa 212 6.11 Parasitic Amoebae 213 6.12 Conclusions 214 Acknowledgements 214 References and Additional Reading 214 7 The Contemporary Use of Electron Microscopy in the Diagnosis of Ciliary Disorders and Sperm Centriolar Abnormalities 221 P. Yiallouros, M. Nearchou, A. Hadjisavvas and K. Kyriacou 7.1 Introduction 221 7.2 Ultrastructure of Motile Cilia 224 7.3 Genetics of PCD 226 7.4 Current Diagnostic Modalities 228 7.5 Clinical Features 229 7.6 Procurement and Assessment of Ciliated Specimens 230 7.7 Centriolar Sperm Abnormalities 231 7.8 Discussion 232 Acknowledgements 234 References 234 8 Electron Microscopy as a Useful Tool in the Diagnosis of Lysosomal Storage Diseases 237 Joseph Alroy, Rolf Pfannl and Angelo A. Ucci 8.1 Introduction 237 8.2 Morphological Findings 247 8.3 Conclusion 261 References 262 9 Cerebral Autosomal Dominant Arteriopathy with Subcortical Infarcts and Leukoencephalopathy (CADASIL) 269 John W. Stirling 9.1 Introduction 269 9.2 Diagnostic Strategies – Comparative Specificity and Sensitivity 271 9.3 Diagnosis by TEM 271 References 274 10 Diagnosis of Platelet Disorders by Electron Microscopy 277 Hilary Christensen and Walter H.A. Kahr 10.1 Introduction 277 10.2 TEM Preparation of Platelets 278 10.3 Whole-Mount EM Preparation of Platelets 280 10.4 EM Preparation of Bone Marrow 281 10.5 Pre-embed Immunogold Labelling of Von Willibrand Factor in Platelets 282 10.6 Ultrastructural Features of Platelets 282 10.7 Normal Platelets 283 10.8 Grey Platelet Syndrome 285 10.9 Arthrogryposis, Renal Dysfunction and Cholestasis Syndrome 285 10.10 Jacobsen Syndrome 285 10.11 Hermansky–Pudlak Syndrome, Chediak–Higashi Syndrome and Other Dense-Granule Deficiencies 287 10.12 Type 2B von Willebrand Disease and Platelet-Type von Willebrand Disease 288 References 290 11 Diagnosis of Congenital Dyserythropoietic Anaemia Types I and II by Transmission Electron Microscopy 293 Yong-xin Ru 11.1 Introduction 293 11.2 Preparation of Bone Marrow and General Observation Protocol 294 11.3 CDA Type I 294 11.3.1 Proerythroblasts and Basophilic Erythroblasts 294 11.3.2 Polychromatic and Orthochromatic Erythroblasts 295 11.3.3 Reticulocytes and Erythrocytes 299 11.4 CDA Type II 299 11.4.1 Erythroblasts 301 11.4.2 Erythrocytes 306 11.5 Summary 306 Acknowledgements 307 References 307 12 Ehlers–Danlos Syndrome 309 Trinh Hermanns-Lê, Marie-Annick Reginster, Claudine Piérard-Franchimont and Gérald E. Piérard 12.1 Introduction 309 12.2 Collagen Fibrils 310 12.3 Elastic Fibers 310 12.4 Nonfibrous Stroma and Granulo-Filamentous Deposits 311 12.5 Connective Tissue Disorders 311 12.5.1 Ehlers–Danlos Syndrome 311 12.5.2 Spontaneous Cervical Artery Dissection 317 12.5.3 Recurrent Preterm Premature Rupture of Fetal Membrane Syndrome 319 References 319 13 Electron Microscopy in Occupational and Environmental Lung Disease 323 Victor L. Roggli 13.1 Introduction 323 13.2 Asbestos 324 13.2.1 Preparatory Techniques 324 13.2.2 Analytical Methodology 326 13.2.3 Asbestos-Related Diseases 326 13.2.4 Exposure Categories 330 13.3 Hypersensitivity Pneumonitis and Sarcoidosis 330 13.3.1 Preparatory Techniques and Analytical Methodology 331 13.4 Silicosis 331 13.4.1 Preparatory Techniques and Analytical Methodology 333 13.5 Silicate Pneumoconiosis 333 13.5.1 Talc Pneumoconiosis 333 13.5.2 Kaolin Worker’s Pneumoconiosis 334 13.5.3 Mica and Feldspar Pneumoconiosis 334 13.5.4 Mixed Dust Pneumoconiosis 335 13.5.5 Preparatory Techniques and Analytical Methodology 335 13.6 Metal-Induced Diseases 335 13.6.1 Siderosis 336 13.6.2 Aluminosis 336 13.6.3 Hard Metal Lung Disease 336 13.6.4 Berylliosis 337 13.6.5 Preparatory Techniques and Analytical Methodology 337 13.7 Rare-Earth Pneumoconiosis 338 13.8 Miscellaneous Disorders 338 References 339 14 General Tissue Preparation Methods 341 John W. Stirling 14.1 Introduction 341 14.1.1 Specimens Suitable for Diagnostic TEM 341 14.2 Tissue Collection and Dissection 342 14.2.1 Tissue Cut-Up 343 14.3 Tissue Processing 345 14.3.1 Fixatives and Fixation 345 14.3.2 Primary Fixation: Glutaraldehyde 347 14.3.3 Secondary Fixation (Post-fixation): Osmium Tetroxide 347 14.3.4 Fixative Vehicles and Wash Buffers 347 14.3.5 En Bloc Staining with Uranyl Acetate 348 14.3.6 Dehydrant and Transition Fluids 348 14.3.7 Resin Infiltration and Embedding Media 349 14.3.8 Tissue Embedding 352 14.4 Tissue Sectioning 352 14.4.1 Ultramicrotomy 352 14.4.2 Sectioning Technique and Ultramicrotome Setup 355 14.4.3 Common Sectioning Problems and Artefacts 356 14.4.4 Section Staining 362 14.4.5 Section Contamination and Staining Artefacts 363 Protocol 364 Processing Schedules 364 References 379 15 Ultrastructural Pathology Today – Paradigm Change and the Impact of Microwave Technology and Telemicroscopy 383 Josef A. Schroeder 15.1 Diagnostic Electron Microscopy and Paradigm Shift in Pathology 383 15.2 Standardised and Automated Conventional Tissue Processing 385 15.3 Microwave-Assisted Sample Preparation 390 15.4 Cyberspace for Telepathology via the Internet 397 15.5 Conclusions and Future Prospects 400 Acknowledgements 404 References 404 16 Electron Microscopy Methods in Virology 409 Alan Curry 16.1 Biological Safety Precautions 409 16.2 Collection of Specimens 410 16.3 Preparation of Faeces, Vomitus or Urine Samples 410 16.4 Viruses in Skin Lesions 410 16.5 Reagents and Methods 411 16.5.1 Negative Stains 411 16.6 Coated Grids 412 16.7 Important Elements in the Negative Staining Procedure 412 16.8 TEM Examination 413 16.9 Immunoelectron Microscopy 413 16.9.1 Immune Clumping 413 16.9.2 Solid-Phase Immunoelectron Microscopy 413 16.9.3 Immunogold Labelling 414 16.9.4 Particle Measurement 414 16.10 Thin Sectioning of Virus-Infected Cells or Tissues 414 16.11 Virology Quality Assurance (QA) Procedures 415 16.11.1 External QA 415 16.11.2 Internal QA 415 Acknowledgements 415 References 416 17 Digital Imaging for Diagnostic Transmission Electron Microscopy 419 Gary Paul Edwards 17.1 Introduction 419 17.2 Camera History 419 17.3 The Pixel Dilemma 420 17.4 Camera Positioning 421 17.5 Resolution 422 17.6 Fibre Coupled or Lens Coupled? 423 17.7 Sensitivity, Noise and Dynamic Range 424 17.8 CCD Chip Type (Full Frame or Interline) 426 17.9 Binning and Frame Rate 426 17.10 Software 427 17.11 Choosing the Right Camera 428 References 429 18 Uncertainty of Measurement 431 Pierre Filion 18.1 Introduction 431 18.2 Purpose 432 18.2.1 Diagnostic Value 432 18.2.2 Internal Quality Control 432 18.2.3 External Quality Control and Accreditation 432 18.3 Factors That Influence Quantitative Measurements 433 18.3.1 Sources of Variation 433 18.3.2 Alteration of the Intrinsic Dimension of the Structure 434 18.3.3 Variation Due to the Analytical Equipment and Method 436 18.3.4 Variation Due to Selection Bias 438 18.3.5 Measurement Using a Digital Camera 439 18.4 How to Calculate the UM 440 18.4.1 Steps Required to Analyse and Calculate the UM 440 18.4.2 Type of Error and Distribution of Measurements 440 18.4.3 Calculating the UM 442 18.4.4 Precision of Measurement and Biological Significance 443 18.4.5 The Electronic Spread Sheet as an Aid to Calculating UM 443 18.4.6 Reporting the UM 444 18.5 Worked Examples 444 18.5.1 Diameter of Fibrils in a Glomerular Deposit 444 18.5.2 Thickness of the Glomerular Basement Membrane 445 18.6 Conclusion 446 References 447 Index 449

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Book SynopsisTransition metals open up new opportunities for synthesis, because their means of bonding and their reaction mechanisms differ from those of the elements of the s and p blocks. In the last two decades the subject has mushroomed - established reactions are seeing both technical improvements and increasing numbers of applications, and new reactions are being developed. The practicality of the subject is demonstrated by the large number of publications coming from the process development laboratories of pharmaceutical companies, and its importance is underlined by the fact that three Nobel prizes have been awarded for discoveries in this field in the 21st Century already. Organic Synthesis Using Transition Metals, 2nd Edition considers the ways in which transition metals, as catalysts and reagents, can be used in organic synthesis, both for pharmaceutical compounds and for natural products. It concentrates on the bond-forming reactions that set transition metal chTrade Review“In conclusion, this is an outstanding book which should be of value to all process chemists, as well as to postgraduate students.” (Organic Process Research & Development Journal, 1 April 2013) “This fine work, which includes an excellent bibliography, in the field of catalysis will be useful for professional chemists; it also will be a valuable resource for graduate students. Highly recommended. Graduate students, researchers/faculty, and professionals/practitioners.” (Choice, 1 December 2012) Table of ContentsAbout the Author xiii Preface xv 1 Introduction 1 1.1 The Basics 2 1.2 The Basic Structural Types 2 1.3 Just How Many Ligands Can Fit around a Metal Atom? 10 1.4 Mechanism and the Basic Reaction Steps 13 1.5 Catalysis 17 References 19 2 Coupling Reactions 21 2.1 Carbon–Carbon Bond Formation 21 2.2 Lithium and Magnesium: Kumada Coupling 27 2.3 Zinc: The Negishi Reaction 32 2.4 Aluminium and Zirconium 35 2.5 Tin: The Stille Reaction 37 2.6 Boron: The Suzuki Reaction 46 2.7 Silicon: The Hiyama Reaction 57 2.8 Copper: The Sonogashira Reaction 61 2.9 Other Metals 67 2.10 Homocoupling 67 2.11 Enolate and Phenoxide Coupling 69 2.12 Heteroatom Coupling 70 References 82 3 C–H Activation 89 3.1 Arenes and Heteroarenes 91 3.2 Aldehydes 100 3.3 Borylation and Silylation 102 3.4 Allylic Functionalization 103 3.5 Unfunctionalized C–H Bonds 105 References 115 4 Carbonylation 117 4.1 Carbonylative Coupling Reactions: Synthesis of Carbonyl Derivatives 117 4.2 Carbonylative Coupling Reactions: Synthesis of Carboxylic Acid Derivatives 122 4.3 Carbonylation of Alkenes and Alkynes 127 4.4 Hydroformylation 130 4.5 Stoichiometric Carbonylation Using Carbonyl Complexes 139 4.6 Carboxylation 146 4.7 Decarbonylation and Decarboxylation 148 References 150 5 Alkene and Alkyne Insertion Reactions 153 5.1 The Heck Reaction 153 5.2 Insertion Reactions Involving Zirconium and Titanium 175 References 188 6 Electrophilic Alkene and Alkyne Complexes 191 6.1 Electrophilic Palladium Complexes 191 6.2 Other Metals: Silver, Gold, Platinum and Rare Earths 210 6.3 Iron 229 6.4 Cobaloxime _-Cations 235 References 237 7 Reactions of Alkyne Complexes 241 7.1 Alkyne Cobalt Complexes 241 7.2 Propargyl Cations: The Nicholas Reaction 244 7.3 The Pauson–Khand Reaction 246 7.4 Synthesis Using Multiple Cobalt Reactions 250 References 251 8 Carbene Complexes 253 8.1 Fischer Carbenes 253 8.2 Vinylidene Complexes 269 8.3 Metathesis Reactions Involving Carbene Complexes 273 8.4 Carbyne Complexes 310 8.5 Carbene Complexes from Diazo Compounds 312 References 319 9 η3- or π-Allyl Complexes 325 9.1 Stoichiometric Reactions of π-Allyl Complexes 325 9.2 Catalysis: Mostly Palladium 328 9.3 Propargyl Compounds 357 References 357 10 Diene, Dienyl and Arene Complexes 361 10.1 η4-Diene Complexes 361 10.2 η5-Dienyl Complexes 371 10.3 η6-Arene Complexes 377 10.4 η2-Arene Complexes 387 References 389 11 Cycloaddition and Cycloisomerization Reactions 391 11.1 Formal Six-Electron, Six-Atom Cycloadditions 391 11.2 Cycloadditions Involving Fewer than Six Atoms 402 11.3 Cycloadditions Involving More than Six Atoms 407 11.4 Isomerization 414 11.5 Cycloisomerization and Related Reactions 415 References 426 Abbreviations 431 Index of Principle Transition Metal Catalysts and Reagents 433 Index 437

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Book SynopsisA carefully curated review of the scientific literature, Volume 112 of Organic Reactions commemorates the 50th anniversary of the Ugi reaction. It explores the practical and theoretical aspects of one of the most widely used reactions in organic chemistry, focusing on the main Ugi reaction as well as on its many variants. This volume is published in two parts, A and B. Launched in 1942, the Organic Reactions series today is a leading secondary- and tertiary-level source for organic chemists across the world.

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Book SynopsisNatural Products and their Bioactives in Antidiabetic Drug Discovery Enables researchers to effectively understand and use bioactive compounds to target, prevent, and manage diabetes Natural Products and Their Bioactives in Antidiabetic Drug Discovery provides readers with an overview of recent research in new drug discovery against diabetic complications based on bioactives from NPs, bridging the gap between the public research institutes and private companies working to find drugs to treat diabetes. To aid in reader comprehension, the text includes case studies and illustrated examples in relevant chapters. Part one presents chapters on fundamental concepts of diabetes mellitus (DM) and recent drug discovery progress along with the various druggable targets and challenges. Part two covers bioactive compounds targeting Type-1 Diabetes. Part three focuses on Type-2 Diabetes. In Part four, the contributors address gestational DM prevention and management with natuTable of ContentsList of Contributors viii Preface xii Part I Fundamental Concepts of Diabetes Mellitus and Drug Discovery Process 1 1 Diabetes Mellitus and Natural Product-based Drug Discovery: Novel Directions 3 David J. Newman 2 Marine Natural Products in the Management of Diabetes Mellitus 18 Murali Krishna Paidi, Kanchan Siddaprasad Udata, and Subir Kumar Mandal 3 Carbohydrate-based Antidiabetic Agents from Natural Products 38 Sandeep Singh 4 Functional Foods in Clinical Trials in the Intervention of Diabetes Complications 49 Bavani Arumugam and Umah Rani Kuppusamy 5 Role of Nanotechnology in Refining the Antidiabetic Activities of Plant Derived Bioactives 74 Sonam Mishra, Ravindra Dhar, Maitree Suttajit, and Bishnu Kumar Pandey Part II Bioactive Compounds Against Type 1 Diabetes Mellitus 97 6 Epidemiology and Genetics of Type 1 Diabetes Mellitus: The Effect of the Mediterranean Diet 99 Bilge Nur Col and Muveddet Emel Alphan 7 The Emerging Role of Plant Polyphenols in the Management of Type 1 Diabetes Mellitus 113 S. Asha Devi, Suparna Mandal, and S. Raja Sekhar 8 Bioactives as Modulators of β-cells and Immunity in Therapy of Type 1 Diabetes Mellitus 136 Shashank Kumar Ojha 9 Obesity in Type 1 Diabetes Mellitus: Clinical Impact and Nutritional Therapy 147 Gülen Ecem Kalkan and Burcu Ateş Özcan 10 Protective Effects of Natural Non-insulin Drugs against Type 1 Diabetes Mellitus 164 Waseem Hassan, Faraza Javaid, Andleeb Shahzadi, and Sahar Bakht Part III Bioactive Compounds Against Type 2 Diabetes Mellitus 177 11 Age-induced Biomarkers of Oxidative Stress in Type 2 Diabetes Mellitus: Role of Plant Polyphenols 179 Brahm Kumar Tiwari and Kanti Bhooshan Pandey 12 Bioactives from Clove Oil for Antibacterial Wound Dressings for the Treatment and Management of Wounds in Type 2 Diabetes Mellitus 195 Andleeb Shahzadi and Haktan Sonmez 13 Nutritional Features and Bioactivities of Thymoquinone against Type 2 Diabetes Mellitus 211 Pınar Atukeren 14 Effect of Resveratrol and Catechins in Maintaining Redox Homeostasis during Type 2 Diabetes Mellitus 219 Prachee Dubey and Geeta Watal 15 Cannabis: Action Mechanisms and Potential Roles in the Management of Type 2 Diabetes Mellitus 232 Karolin Yanar and Zeynep Mine Coşkun Yazıcı Part IV Gestational Diabetes: Prevention and Management by Natural Compounds 245 16 Epidemiology of Gestational Diabetes Mellitus: Preventive Significance of Dietary Pattern 247 Burcu Yeşilkaya 17 Biomarkers of Gestational Diabetes Mellitus, Dietary Polyphenols, and Drug Discovery 260 Mansi Gandhi 18 Medicinal and Aromatic Plants in the Prevention of Gestational Diabetes and Associated Consequences: Current Insights 275 Jigeesha Mishra, Kanti Bhooshan Pandey, and Shailendra Kumar Srivastava 19 Enhancement of Insulin Sensitivity and Management of Lipid Disorders during Gestational Diabetes Mellitus: Role of Capsaicin 294 Banu Orta-Yilmaz, Ahu Korkut, and Yasemin Aydin 20 Effects of Natural Products on the Genetics of Gestational Diabetes Mellitus 308 Onur Baykara Index 321

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Book SynopsisProvides an extensive and up-to-date overview of the theory and application of computational pharmaceutics in the drug development process Exploring Computational Pharmaceutics - AI and Modeling in Pharma 4.0 introduces a variety of current and emerging computational techniques for pharmaceutical research. Bringing together experts from academia, industry, and regulatory agencies, this edited volume also explores the current state, key challenges, and future outlook of computational pharmaceutics while encouraging development across all sectors of the field. Throughout the text, the authors discuss a wide range of essential topics, from molecular modeling and process simulation to intelligent manufacturing and quantitative pharmacology. Building upon Exploring Computational Pharmaceutics - AI and Modeling in Pharma 4.0, this new edition provides a multi-scale perspective that reveals the physical, chemical, mathematical, and data-driven details of pre-form

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Book SynopsisAquatic Contamination Authoritative resource presenting techniques and technologies to sustainably neutralize environmental contamination in aquatic plants, microorganisms, and more Two thirds of the Earth is covered with aquatic habitats that play a key role in stabilizing the global environment and providing a wide variety of services to increasing human needs. Nevertheless, anthropogenic activities are rapidly destroying the quality of both fresh and marine waters globally, due to excessive use of chemicals, fertilizers and pollution from suburban and industrial areas eventually making their way into the aquatic world. Aquatic Contamination: Tolerance and Bioremediation presents the broader spectrum of biological applicability of microbes with better understanding of cellular mechanisms for remediation of aquatic contaminants. The book also focuses on practices involved in molecular and genetic approaches, necessary to achieve targets of bioremediation Table of ContentsAbout the Book xvii About the Editors xix Preface xxi 1 Emerging Techniques for Treatment of Wastewater 1Naseema A. Wani, Nazir A. Malik, Younas R. Tantary, Ishrat Jan, Tawseef Ahmad, and Mohammad S. Wani 1.1 Introduction 1 1.2 Composition of Untreated Wastewater and Its Effect on Water Bodies 2 1.3 Strategies to Treat Wastewater 4 1.4 Tertiary Treatment 8 1.5 Natural Processes for Wastewater Management 9 1.6 Emerging or Advanced Techniques for the Treatment of Wastewater 11 1.7 Conclusion 17 2 Aquatic Ecosystems and Health Threats: Case Study on the Nickel Pollution in Gölbasi Lake in Hatay -- Turkiye 25Volkan Altay, Büsra Kara, Ibrahim E. Yalcin, and Munir Ozturk 2.1 Introduction 25 2.2 Threats to the Health of Aquatic Ecosystems 25 2.3 Data Analysis 29 2.4 Results from the Study 31 2.5 Conclusions 38 3 Endophytic Fungi and Bacteria: Enhancement of Heavy Metal Phytoextraction 43Amauri Ponce-Hernández, Javier A. Gómez-Rubio, Juan G. Ceballos-Maldonado, Domingo Martínez-Soto, Margarita Márquez-Vega, Alejandro Hernández-Morales, and Candy Carranza-Álvarez 3.1 Introduction 43 3.2 Main Anthropogenic Sources Releasing HMs into the Environment 43 3.3 Phytoremediation of HMs 44 3.4 Advantages and Disadvantages 47 3.5 Factors that Increase HMs Phytoremediation 47 3.6 Phytoremediation Mechanisms 48 3.7 Microbiota in Plants Used in Phytoremediation 50 3.8 Bacteria that Enhance Phytoremediation 53 3.9 Conclusion 53 4 Mechanism of Heavy Metal-Induced Stress and Tolerance 61Jose A. Montes-Rocha, Angel J. Alonso-Castro, and Candy Carranza-Álvarez 4.1 Introduction 61 4.2 Heavy Metal-Induced Stress 61 4.3 Metal Tolerance Mechanisms 62 4.4 Root Exudates 62 4.5 Cellular Wall 63 4.6 Plasma Membrane 65 4.7 Vacuole 67 4.8 Xylem 67 4.9 Phloem 68 4.10 Sequestering of Metals in the Cytosol by Various Ligands 69 4.11 Considerations 71 4.12 Conclusion 71 5 Biotechnology for Sustainable Remediation of Contaminated Wastewater 77Younis A. Hajam 5.1 Introduction 77 5.2 Organic Contaminants 78 5.3 Biotechnology in Environmental Engineering 79 5.4 Biological Treatment 82 5.5 Electrochemical Method 84 5.6 Heavy Metal Treatment 86 5.7 Conclusion 87 6 Novel Trends of Biotechnology in Wastewater Treatment 95Anjani K. Upadhyay, Kazi N. Hasan, Apratim Chakraborty, and Manisha Priyadarshini 6.1 Introduction 95 6.2 The Nascent Organic Methods 96 6.3 Forthcoming Technologies/Incubating Ideas: Theory of Existential Growth 104 6.4 Conclusion: Progression of Trending Technologies in Water Science 105 7 Role of Free-Floating Macrophytes in the Abatement of Disturbed Environments 113Wajiha Anum, Umair Riaz, Ghulam Murtaza, Syed Ali Zulqadar, and Laila Shahzad 7.1 Introduction 113 7.2 Nutrient Equilibrium 113 7.3 Importance of Free-Floating Macrophytes in Ecosystem Structure and Function 113 7.4 How Toxins are Added to the Environment 114 7.5 Role of Aquatic Plants in Water Bodies 114 7.6 Phytoremediation 115 7.7 FFPs as Bioabsorbants 116 8 Enzymatic Approach for Phytoremediation 123Anjali Pathak, Mahendra K. Gupta, Mir S. Rabani, Shivani Tripathi, Sadhna Pandey , Charu Gupta, and Meenakshi Shrivastav 8.1 Introduction 123 8.2 Mechanism and Types of Phytoremediation 124 8.3 Conclusion 128 9 Phyto-Metalloproteins and Restoration of Freshwater Ecosystems 131Ekta B. Jadhav, Shefali, Varad Nagar, Vinay Aseri, Poonam Kumari, Vanisha Godara, Sneha Lohar, Kumud K. Awasthi, Garima Awasthi, and Mahipal S. Sankhla 9.1 Introduction 131 9.2 Phytoremediation 132 9.3 Role of Metalloproteins in Phytoremediation 133 9.4 Use of Phytometalloproteins for Remediation of Contamination and Restoration of Freshwater Ecosystems 134 9.5 Heavy Metal Uptake from Contaminated Water 135 9.6 Phytometalloproteins in Remediation of Contaminated Freshwater Ecosystems 137 9.7 Genetically Engineered or Modified Metalloproteins for Improved Remediation of Contaminated Water 138 9.8 Conclusion 139 10 Phytoremediation: The Way Forward 145Muatasim Jan, Tawseef A. Mir, and Rakesh K. Khare 10.1 Introduction 145 10.2 Need for Phytoremediation 146 10.3 Phytoremediation Approaches 147 10.4 Hyperaccumulation 150 10.5 Genetically Engineered Plants and Phytoremediation 152 10.6 Multiple Benefits of Phytoremediation from Ecological to Socioeconomic 152 10.7 Phytoremediation-Theoretical Aspects 154 10.8 Phytomanagement: A New Paradigm 155 10.9 Future Prospects 157 10.10 Conclusions 157 11 Biotechnological Advancements in Phytoremediation 165Venkatesh Chunduri, Payal Kapoor, Anita Kumari, Aman Kumar, Saloni Sharma, Natasha Sharma, Satveer Kaur, and Monika Garg 11.1 Introduction 165 11.2 Types of Phytoremediation 165 11.3 Types of Pollutants 167 11.4 Naturally Available Plant Species for Phytoremediation 168 11.5 Phytoremediation of Organic Pollutants 168 11.6 Advances in Biotechnological Approaches for Phytoremediation of Different Pollutants 171 11.7 Biotechnology Advances in the Phytoremediation of Inorganic Pollutants 172 11.8 Biotechnology Advances in the Phytoremediation of Organic Pollutants 175 11.9 Implications of Transgenic Plants for Phytoremediation against Herbicides 175 11.10 Nanomaterials-Assisted Phytoremediation 176 11.11 Next-Generation Sequencing and Omics Approach for Improving Phytoremediation 176 11.12 Gene Editing Tools and Phytoremediation 178 11.13 Conclusion 179 12 Phytoremediation of Pesticides and Heavy Metals in Contaminated Environs 189Durdana Shah, Azra Kamili, Nasreena Sajjad, Sumira Tyub, Gousia Majeed, Sabira Hafiz, Wasifa Noor, Saba Yaqoob, and Ishfaq Maqbool 12.1 Introduction 189 12.2 Mechanism of Phytoremediation by Heavy Metals 190 12.3 Factors which Affect Uptake Mechanisms 193 12.4 Strategies for Improved Efficiency of Phytoremediation 194 12.5 Metal Chelators Encoded by Overexpression Genes 194 12.6 Origins of Pesticide Entry into Water 194 12.7 Effects of Pesticides 197 12.8 Threats to Terrestrial Biodiversity 199 12.9 Impacts of Pesticides on Soil Ecosystem Services 199 13 Biotechnological Interventions for Removal of Heavy Metals and Metalloids from Water Resources 207Munir Ozturk, Bengu Turkyilmaz Unal, and Huseyin Turker 13.1 Introduction 207 13.2 Water Pollution 207 13.3 Heavy Metals and Metalloids 208 13.4 Effects of Heavy Metals and Metalloids on Water Pollution 208 13.5 Heavy Metal and Metalloids Removal 209 13.6 Bioremediation in Pollution Management 209 13.7 Biosensors 212 13.8 Biotechnological Methods Used in the Removal of HMMs 213 13.9 Conclusion 213 14 Microbial Biofilms -- Pollutant Load Suppressor 219Tanaji V. Latha, Uzma Sultana, Podduturi Vanamala, and Mir Z. Gul 14.1 Introduction 219 14.2 Characteristic Features of Biofilms that are Exploited for Bioremediation 219 14.3 Environmental Pollutants 220 14.4 Microbial Biofilms 220 14.5 Pesticide Degradation 224 14.6 Wastewater Treatment 225 14.7 Microbial Fuel Cells (MFCs) 225 14.8 Bioremediation of Organic Pollutants 226 14.9 Bioremediation of Heavy Metals 226 14.10 Toxicity of Heavy Metals 227 14.11 Conclusion 229 15 Recent Advances in the Biodegradation of Petroleum Hydrocarbons: Insights from Whole Genome Sequencing 239Yahaya Y. Riko and Zubairu U. Darma 15.1 Introduction: Aquatic Contamination Through Petroleum Hydrocarbons -- Sources, Statistics, Impact, and Solution 239 15.2 Whole Genome Sequencing (WGS): History, Concepts, Methodology, Analyses, and Relevance to Biodegradation of Petroleum Hydrocarbons 241 15.3 Key Insights and Recent Advances from Studies on the WGS of Petroleum Hydrocarbon-Degrading (Hydrocarbonoclastic) Bacteria in the Past Decade (2012--2021) 246 15.4 Future Research Directions in WGS Studies of Petroleum Hydrocarbon-Degrading Bacteria 267 15.5 Conclusions 268 16 Green Synthesized Nanomaterials as Tools to Remediate Aquatic Pollution 277Charu Gupta, Mahendra K. Gupta, Mir S. Rabani, Shivani Tripathi, and Anjali Pathak 16.1 Introduction 277 16.2 Approaches of Nanoparticle Synthesis 278 16.3 Routes of Metal Nanoparticle Synthesis 279 16.4 Applications of Green Nanomaterials in the Remediation of Aquatic Pollution 280 16.5 Conclusion 285 17 Nanotechnology-Based Applications: A Valuable Tool for Wastewater Clean-up 291Mir Z. Gul, Beedu S. Rao, and Karuna Rupula 17.1 Introduction 291 17.2 Nanotechnology: A Reliable Tool 292 17.3 Main Nanotechnological Processes for Water Purification and Wastewater Treatment 293 17.4 Polymer-Based Nanoabsorbents 295 17.5 Membrane-Based Technology 296 17.6 Nanomaterials for Microbial Control and Disinfection 299 17.7 Photocatalytic-Based Technology 300 17.8 Conclusions and Future Outlook 302 18 Reliability on Nanoscience: A Valuable Cleaning Tool for Wastewaters 313Fernanda M. P. Tonelli, Helon G. Cordeiro, Danilo R. C. Ferreira, and Flávia C. P. Tonelli 18.1 Introduction 313 18.2 Wastewater's Pollution 313 18.3 Nanotechnology and Nanomaterials 314 18.4 Nanoscience and Wastewater Remediation 316 18.5 Conclusions 321 18.6 Future Perspectives 321 19 Transgenic Plant Technology and its Role in Bioremediation 329Gulzar A. Rathar, Romica Verma, and Bhavana Sharma 19.1 Introduction 329 19.2 Transgenic Plant Technology 331 19.3 Transgenic Plants in Bioremediation 331 19.4 Metal Accumulators 332 19.5 Need for Transgenic Plants 333 19.6 Phytoremediation Via Chelation 334 19.7 Phytovolatilization 335 19.8 Chemical Modification 336 19.9 Risk Assessment 337 19.10 Future Perspectives 338 20 Comprehensive Note on Various Wastewater Treatment Strategies 345Amna Aqeel and Javaria Zafar 20.1 Introduction 345 20.2 Treatment Strategies 346 20.3 Methods of Wastewater Treatments 350 20.4 Electrochemical Methods of Wastewater Treatment 355 20.5 Biological Treatment 356 20.6 Strategies for Biological Treatment 356 21 Case Studies of Aquatic Contamination and Bioremediation 367Younis A. Hajam and Diksha 21.1 Introduction 367 21.2 Water Contamination 367 21.3 Noxious and Hazardous Combinations in Diesel-Tarnished Water 374 21.4 Halophilic Tiny Creatures Expected to Work as Bioremediation Trained Professionals 375 21.5 Parts Drew in with Diesel Bioremediation by Organisms 376 21.6 Conclusion 377 References 377 Glossary 385 Index 389

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Book SynopsisBiomechanics is the application of mechanical principles to living organisms, and it is one of the most exciting and fastest growing research areas. In forensic science, it is biomechanics that explains trauma to the body at a crime scene or the fracture of fibers and textiles, and helps interpret blood spatter.Trade Review“Forensic Biomechanics, although only 164 pages in length, succeeds in providing the reader a basic understanding of the biomechanical principles central to several pertinent areas of forensic biology. . . . It provides an excellent view of the areas that should be mastered in order for those new to this field to claim it as their own.” (Journal of Forensic Sciences, 8 January 2014)Table of ContentsSeries Foreword ix Acknowledgements xi 1 Introduction 1Jules Kieser 2 Basic principles of biomechanics 7Jules Kieser 2.1 Forces and motion 9 2.2 Stress and strain 12 2.3 Basics of biomechanical behaviour 17 2.4 Biomaterials and viscoelasticity 21 2.5 Acceleration and impact 25 2.6 Fracture behaviour 26 2.7 Ballistic biomechanics 29 3 Biomechanics of bone and bony trauma 35Jules Kieser 3.1 Composition of bone 37 3.2 Types of bone 38 3.3 Biomechanical properties of bone 39 3.4 Compressive and tensile fracture patterns 45 3.5 Blunt and sharp force trauma 50 3.6 Ballistic trauma 54 3.7 Living versus postmortem fracture 62 3.8 Bone fracture in infants 64 4 Biomechanics of skin and soft tissue trauma 71Jules Kieser 4.1 Structure of skin 73 4.2 Mechanical properties of skin 75 4.3 Effect of age 78 4.4 Wounding 80 4.5 Sharp force trauma 81 4.6 Blunt force trauma 85 4.7 Ballistic trauma 88 4.8 Bitemarks 92 5 The mechanics of bloodstain pattern formation 99Mark Jermy and Michael Taylor 5.1 Introduction to bloodstain pattern analysis 101 5.2 Forces acting on fluids 104 5.3 Dimensionless numbers 114 5.4 Fluid properties of blood 116 5.5 The creation of droplets 118 5.6 Droplet flight 126 5.7 Droplet impact: bloodstain formation 128 6 Fibres and textiles 137Debra Carr 6.1 Introduction 139 6.2 Fabric layers 143 6.3 Fabric degradation 144 6.4 Ballistic impacts 144 6.5 Sharp impacts 146 6.6 Blunt impacts 149 6.7 Tearing 151 Acknowledgements 153 Index 159

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Book SynopsisAs the range of feedstocks, process technologies and products expand, biorefineries will become increasingly complex manufacturing systems. Biorefineries and Chemical Processes: Design, Integration and Sustainability Analysis presents process modelling and integration, and whole system life cycle analysis tools for the synthesis, design, operation and sustainable development of biorefinery and chemical processes. Topics covered include: Introduction: An introduction to the concept and development of biorefineries. Tools: Included here are the methods for detailed economic and environmental impact analyses; combined economic value and environmental impact analysis; life cycle assessment (LCA); multi-criteria analysis; heat integration and utility system design; mathematical programming based optimization and genetic algorithms. Process synthesis and design: Focuses on modern unit operations and innovative process flowsheets. DisTrade Review“In conclusion, this book introduces the reader to the rapidly-developing industry of biorefineries, with a multi-disciplinary approach. It is a good resource for undergraduate and post-graduate students who want to learn about biorefineries; it can also be valuable for researchers who are looking to practically apply these analytical tools in their work.” (Green Process Synth, 4 February 2015)Table of ContentsPreface xiii Acknowledgments xvii About the Authors xxi CompanionWebsite xxiii Nomenclature xxv I INTRODUCTION 1 1 Introduction 3 1.1 Fundamentals of the Biorefinery Concept 3 1.1.1 Biorefinery Principles 3 1.1.2 Biorefinery Types and Development 4 1.2 Biorefinery Features and Nomenclature 5 1.3 Biorefinery Feedstock: Biomass 7 1.3.1 Chemical Nature of Biorefinery Feedstocks 8 1.3.2 Feedstock Characterization 10 1.4 Processes and Platforms 12 1.5 Biorefinery Products 15 1.6 Optimization of Preprocessing and Fractionation for Bio Based Manufacturing 18 1.6.1 Background of Lignin 26 1.7 Electrochemistry Application in Biorefineries 31 1.8 Introduction to Energy and Water Systems 34 1.9 Evaluating Biorefinery Performances 36 1.9.1 Performance Indicators 36 1.9.2 Life Cycle Analysis 38 1.10 Chapters 38 1.11 Summary 38 References 39 II TOOLS 43 2 Economic Analysis 45 2.1 Introduction 45 2.2 General Economic Concepts and Terminology 46 2.2.1 Capital Cost and Battery Limits 46 2.2.2 Cost Index 46 2.2.3 Economies of Scale 47 2.2.4 Operating Cost 48 2.2.5 Cash Flows 49 2.2.6 Time Value of Money 49 2.2.7 Discounted Cash Flow Analysis and Net Present Value 50 2.2.8 Profitability Analysis 52 2.2.9 Learning Effect 53 2.3 Methodology 54 2.3.1 Capital Cost Estimation 54 2.3.2 Profitability Analysis 55 2.4 Cost Estimation and Correlation 55 2.4.1 Capital Cost 55 2.4.2 Operating Cost 58 2.5 Summary 59 2.6 Exercises 60 References 61 3 Heat Integration and Utility System Design 63 3.1 Introduction 63 3.2 Process Integration 64 3.3 Analysis of Heat Exchanger Network Using Pinch Technology 65 3.3.1 Data Extraction 66 3.3.2 Construction of Temperature–Enthalpy Profiles 69 3.3.3 Application of the Graphical Approach for Energy Recovery 76 3.4 Utility System 83 3.4.1 Components in Utility System 83 3.5 Conceptual Design of Heat Recovery System for Cogeneration 88 3.5.1 Conventional Approach 88 3.5.2 Heuristic Based Approach 88 3.6 Summary 91 References 91 4 Life Cycle Assessment 93 4.1 Life Cycle Thinking 93 4.2 Policy Context 96 4.3 Life Cycle Assessment (LCA) 96 4.4 LCA: Goal and Scope Definition 100 4.5 LCA: Inventory Analysis 104 4.6 LCA: Impact Assessment 111 4.6.1 Global Warming Potential 114 4.6.2 Land Use 115 4.6.3 Resource Use 119 4.6.4 Ozone Layer Depletion 121 4.6.5 Acidification Potential 123 4.6.6 Photochemical Oxidant Creation Potential 126 4.6.7 Aquatic Ecotoxicity 127 4.6.8 Eutrophication Potential 127 4.6.9 Biodiversity 128 4.7 LCA: Interpretation 128 4.7.1 Stand-Alone LCA 128 4.7.2 Accounting LCA 129 4.7.3 Change Oriented LCA 129 4.7.4 Allocation Method 129 4.8 LCIA Methods 130 4.9 Future R&D Needs 145 References 145 5 Data Uncertainty and Multicriteria Analyses 147 5.1 Data Uncertainty Analysis 147 5.1.1 Dominance Analysis 148 5.1.2 Contribution Analysis 149 5.1.3 Scenario Analysis 151 5.1.4 Sensitivity Analysis 153 5.1.5 Monte Carlo Simulation 154 5.2 Multicriteria Analysis 159 5.2.1 Economic Value and Environmental Impact Analysis of Biorefinery Systems 160 5.2.2 Socioeconomic Analysis 163 5.3 Summary 165 References 165 6 Value Analysis 167 6.1 Value on Processing (VOP) and Cost of Production (COP) of Process Network Streams 168 6.2 Value Analysis Heuristics 172 6.2.1 Discounted Cash Flow Analysis 173 6.3 Stream Economic Profile 175 6.4 Concept of Boundary and Evaluation of Economic Margin of a Process Network 175 6.5 Stream Profitability Analysis 176 6.5.1 Value Analysis to Determine Necessary and Sufficient Condition for Streams to be Profitable or Nonprofitable 181 6.6 Summary 187 References 187 7 Combined Economic Value and Environmental Impact (EVEI) Analysis 189 7.1 Introduction 189 7.2 Equivalency Between Economic and Environmental Impact Concepts 190 7.3 Evaluation of Streams 196 7.4 Environmental Impact Profile 200 7.5 Product Economic Value and Environmental Impact (EVEI) Profile 201 7.6 Summary 204 References 205 8 Optimization 207 8.1 Introduction 207 8.2 Linear Optimization 208 8.2.1 Step 1: Rewriting in Standard LP Format 210 8.2.2 Step 2: Initializing the Simplex Method 211 8.2.3 Step 3: Obtaining an Initial Basic Solution 212 8.2.4 Step 4: Determining Simplex Directions 212 8.2.5 Step 5: Determining the Maximum Step Size by the Minimum Ratio Rule 213 8.2.6 Step 6: Updating the Basic Variables 214 8.3 Nonlinear Optimization 218 8.3.1 Gradient Based Methods 219 8.3.2 Generalized Reduced Gradient (GRG) Algorithm 226 8.4 Mixed Integer Linear or Nonlinear Optimization 239 8.4.1 Branch and Bound Method 240 8.5 Stochastic Method 243 8.5.1 Genetic Algorithm (GA) 244 8.5.2 Non-dominated Sorting Genetic Algorithm (NSGA) Optimization 246 8.5.3 GA in MATLAB 248 8.6 Summary 248 References 248 III PROCESS SYNTHESIS AND DESIGN 251 9 Generic Reactors: Thermochemical Processing of Biomass 253 9.1 Introduction 253 9.2 General Features of Thermochemical Conversion Processes 254 9.3 Combustion 257 9.4 Gasification 258 9.4.1 The Process 258 9.4.2 Types of Gasifier 260 9.4.3 Design Considerations 260 9.5 Pyrolysis 262 9.5.1 What is Bio-Oil? 262 9.5.2 How Is Bio-Oil Obtained from Biomass? 264 9.5.3 How Fast Pyrolysis Works 265 9.6 Summary 270 Exercises 270 References 270 10 Reaction Thermodynamics 271 10.1 Introduction 271 10.2 Fundamentals of Design Calculation 272 10.2.1 Heat of Combustion 272 10.2.2 Higher and Lower Heating Values 276 10.2.3 Adiabatic Flame Temperature 278 10.2.4 Theoretical Air-to-Fuel Ratio 279 10.2.5 Cold Gas Efficiency 280 10.2.6 Hot Gas Efficiency 281 10.2.7 Equivalence Ratio 281 10.2.8 Carbon Conversion 282 10.2.9 Heat of Reaction 282 10.3 Process Design: Synthesis and Modeling 282 10.3.1 Combustion Model 282 10.3.2 Gasification Model 283 10.3.3 Pyrolysis Model 289 10.4 Summary 291 Exercises 291 References 292 11 Reaction and Separation Process Synthesis: Chemical Production from Biomass 295 11.1 Chemicals from Biomass: An Overview 296 11.2 Bioreactor and Kinetics 297 11.2.1 An Example of Lactic Acid Production 299 11.2.2 An Example of Succinic Acid Production 304 11.2.3 Heat Transfer Strategies for Reactors 308 11.2.4 An Example of Ethylene Production 309 11.2.5 An Example of Catalytic Fast Pyrolysis 311 11.3 Controlled Acid Hydrolysis Reactions 318 11.4 Advanced Separation and Reactive Separation 327 11.4.1 Membrane Based Separations 327 11.4.2 Membrane Filtration 330 11.4.3 Electrodialysis 333 11.4.4 Ion Exchange 334 11.4.5 Integrated Processes 338 11.4.6 Reactive Extraction 341 11.4.7 Reactive Distillation 352 11.4.8 Crystallization 354 11.4.9 Precipitation 360 11.5 Guidelines for Integrated Biorefinery Design 360 11.5.1 An Example of Levulinic Acid Production: The Biofine Process 365 11.6 Summary 368 References 370 12 Polymer Processes 373 12.1 Polymer Concepts 374 12.1.1 Polymer Classification 375 12.1.2 Polymer Properties 376 12.1.3 From Petrochemical Based Polymers to Biopolymers 379 12.2 Modified Natural Biopolymers 385 12.2.1 Starch Polymers 385 12.2.2 Cellulose Polymers 389 12.2.3 Natural Fiber and Lignin Composites 389 12.3 Modeling of Polymerization Reaction Kinetics 391 12.3.1 Chain-Growth or Addition Polymerization 392 12.3.2 Step-Growth Polymerization 396 12.3.3 Copolymerization 398 12.4 Reactor Design for Biomass Based Monomers and Biopolymers 400 12.4.1 Plug Flow Reactor (PFR) Design for Reaction in Gaseous Phase 400 12.4.2 Bioreactor Design for Biopolymer Production – An Example of Polyhydroxyalkanoates 402 12.4.3 Catalytic Reactor Design 403 12.4.4 Energy Transfer Models of Reactors 412 12.5 Synthesis of Unit Operations Combining Reaction and Separation Functionalities 416 12.5.1 Reactive Distillation Column 416 12.5.2 An Example of a Novel Reactor Arrangement 418 12.6 Integrated Biopolymer Production in Biorefineries 421 12.6.1 Polyesters 421 12.6.2 Polyurethanes 422 12.6.3 Polyamides 422 12.6.4 Polycarbonates 424 12.7 Summary 424 References 424 13 Separation Processes: Carbon Capture 425 13.1 Absorption 426 13.2 Absorption Process Flowsheet Synthesis 429 13.3 The RectisolTM Technology 431 13.3.1 Design and Operating Regions of RectisolTM Process 433 13.3.2 Energy Consumption of a RectisolTM Process 435 13.4 The SelexolTM Technology 446 13.4.1 SelexolTM Process Parametric Analysis 448 13.5 Adsorption Process 457 13.5.1 Kinetic Modeling of SMR Reactions 458 13.5.2 Adsorption Modeling of Carbon Dioxide 460 13.5.3 Sorption Enhanced Reaction (SER) Process Dynamic Modeling Framework 460 13.6 Chemical Looping Combustion 463 13.7 Low Temperature Separation 471 13.8 Summary 472 References 473 IV BIOREFINERY SYSTEMS 475 14 Bio-Oil Refining I: Fischer–Tropsch Liquid and Methanol Synthesis 477 14.1 Introduction 477 14.2 Bio-Oil Upgrading 478 14.2.1 Physical Upgrading 478 14.2.2 Chemical Upgrading 478 14.2.3 Biological Upgrading 480 14.3 Distributed and Centralized Bio-Oil Processing Concept 481 14.3.1 The Concept 481 14.3.2 The Economics of Local Distribution of Bio-Oil 482 14.3.3 The Economics of Importing Bio-Oil from Other Countries 483 14.4 Integrated Thermochemical Processing of Bio-Oil into Fuels 483 14.4.1 Synthetic Fuel Production 484 14.4.2 Methanol Production 485 14.5 Modeling, Integration and Analysis of Thermochemical Processes of Bio-Oil 486 14.5.1 Flowsheet Synthesis and Modeling 486 14.5.2 Sensitivity Analysis 488 14.6 Summary 494 References 494 15 Bio-Oil Refining II: Novel Membrane Reactors 497 15.1 Bio-Oil Co-Processing in Crude Oil Refinery 497 15.2 Mixed Ionic Electronic Conducting (MIEC) Membrane for Hydrogen Production and Bio-Oil Hydrotreating and Hydrocracking 499 15.3 Bio-Oil Hydrotreating and Hydrocracking Reaction Mechanisms and a MIEC Membrane Reactor Based Bio-Oil Upgrader Process Flowsheet 502 15.4 A Coursework Problem 510 15.5 Summary 513 References 514 16 Fuel Cells and Other Renewables 515 16.1 Biomass Integrated Gasification Fuel Cell (BGFC) System Modeling for Design, Integration and Analysis 517 16.2 Simulation of Integrated BGFC Flowsheets 520 16.3 Heat Integration of BGFC Flowsheets 528 16.4 Analysis of Processing Chains in BGFC Flowsheets 529 16.5 SOFC Gibbs Free Energy Minimization Modeling 532 16.6 Design of SOFC Based Micro-CHP Systems 536 16.7 Fuel Cell and SOFC Design Parameterization Suitable for Spreadsheet Implementation 537 16.7.1 Mass Balance 539 16.7.2 Electrochemical Descriptions 540 16.7.3 An air Blower Power Consumption 542 16.7.4 Combustor Modeling 543 16.7.5 Energy Balance 543 16.8 Summary 546 References 546 17 Algae Biorefineries 547 17.1 Algae Cultivation 548 17.1.1 Open Pond Cultivation 548 17.1.2 Photobioreactors (PBRs) 556 17.2 Algae Harvesting and Oil Extraction 562 17.2.1 Harvesting 562 17.2.2 Extraction 570 17.3 Algae Biodiesel Production 570 17.3.1 Biodiesel Process 570 17.3.2 Heterogeneous Catalysts for Transesterification 572 17.4 Algae Biorefinery Integration 572 17.5 Life Cycle Assessment of Algae Biorefineries 575 17.6 Summary 579 References 579 18 Heterogeneously Catalyzed Reaction Kinetics and Diffusion Modeling: Example of Biodiesel 581 18.1 Intrinsic Kinetic Modeling 582 18.1.1 Elementary Reaction Mechanism and Intrinsic Kinetic Modeling of the Biodiesel Production System 582 18.1.2 Solution Strategy for the Rate Equations Resulting from the Elementary Reaction Mechanism 590 18.1.3 Correlation between Concentration and Activity of Species Using the UNIQUAC Contribution Method 591 18.1.4 An Example of EXCEL Spreadsheet Based UNIQUAC Calculation for a Biodiesel Production System is Shown in Detail for Implementation in Online Resource Material, Chapter 18 – Additional Exercises and Examples 592 18.1.5 Intrinsic Kinetic Modeling Framework 592 18.2 Diffusion Modeling 595 18.3 Multi-scale Mass Transfer Modeling 598 18.3.1 Dimensionless Physical Parameter Groups 606 18.4 Summary 612 References 612 V ONLINE RESOURCES Web Chapter 1: Waste and Emission Minimization Web Chapter 2: Energy Storage and Control Systems Web Chapter 3: Water Reuse, Footprint and Optimization Analysis Case Study 1: Biomass CHP Plant Design Problem – LCA and Cost Analysis Case Study 2: Comparison between Epoxy Resin Productions from Algal or Soya Oil – An LCA Based Problem Solving Approach Case Study 3: Waste Water Sludge Based CHP and Agricultural Application System – An LCA Based Problem Solving Approach Case Study 4: LCA Approach for Solar Organic Photovoltaic Cells Manufacturing Index 613

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Book SynopsisBiocatalysts are increasingly used by chemists engaged in fine chemical synthesis within both industry and academia. Today, there exists a huge choice of high-tech enzymes and whole cell biocatalysts, which add enormously to the repertoire of synthetic possibilities.Trade Review“In conclusion, the second volume of Practical Methods for Biocatalysis and Biotransformations is highly recommended, both to the nonspecialist in the area and to experts, too.” (Organic Process Research & Development Journal, 1 April 2013)Table of ContentsList of Contributors ix Abbreviations xxiii 1 Biocatalysis in the Fine Chemical and Pharmaceutical Industries 1 1.1 Introduction 1 1.2 Biotrans Outsourcing – AstraZeneca 4 1.3 Biotrans Trends – Lonza 5 1.4 Biocatalysis in the Pharma Environment 9 1.5 Industrial Use of Hydrolases 24 1.6 Industrial Biooxidation and Reduction 32 1.7 Industrial Application of Transaminases – Cambrex 36 1.8 Biocatalyst Discovery and Improvement 38 1.9 From Pathway Engineering to Synthetic Biology 42 1.10 Prioritization of Future Biocatalysis and Synthetic Biology Needs 47 1.11 Concluding Remarks 52 2 Reductive Amination 61 2.1 o-Transaminases – Useful Biocatalysts for Chiral Amine Synthesis 61 2.2 Preparative Scale Production of a Bulky–Bulky Chiral Amine Using an Engineered Transaminase 64 2.3 Synthesis of Optically Pure Amines Employing o-Transaminases 69 2.4 A Fast, Sensitive Assay and Scale-Up of o-Transaminase Catalysed Reactions 74 2.5 Asymmetric Synthesis of L-3-Hydroxyadamantylglycine Using Branched Chain Aminotransferase 79 2.6 Asymmetric Reduction of Aryl Imines Using Candida parapsilosis ATCC 7330 83 3 Enoate Reductases for Reduction of Electron Deficient Alkenes 87 3.1 Asymmetric Bioreduction of Activated Alkenes Using Ene-Reductases from the Old Yellow Enzyme Family 87 3.2 Efficient Baker's Yeast Mediated Reduction with Substrate Feeding Product Removal (SFPR) Technology: Synthesis of (S)-2-Alkoxy-3-Aryl-1-Propanols 96 3.3 Asymmetric Reduction of (4S)-(+)-Carvone Catalyzed by Enoate Reductases (ERs) Expressed by Non-Conventional Yeast (NCY) Whole Cells 100 3.4 Preparation of Enantiomerically Pure Citronellal Enantiomers Using Alkene Reductases 104 3.5 Highly Enantiomeric Hydrogenation of C–C Double Bond of Methylated N-Phenyl and N-Phenylalkylmaleimides by Aspergillus fumigatus 108 4 Industrial Carbonyl Reduction 115 4.1 Bioreduction Using Immobilized Carbonyl Reductase Technology 116 4.2 Preparative Ketoreductase-Catalyzed Kinetic Resolution of a Racemic Aldehyde 118 4.3 Enzymatic Reduction of 2,6-dichloro-3-fluoro-acetophenone to Produce (S)-1-(2,6-dichloro-3-fluorophenyl)ethanol 121 4.4 Preparative Scale Production of Poorly Soluble Chiral Alcohol Intermediate for Montelukast 124 5 Regio- and Stereoselective Hydroxylation 129 5.1 Engineering of an Amycolatopsis orientalis P450 Compactin Hydroxylase into a Pravastatin Synthase by Changing the Stereospecificity of the Enzyme 130 5.2 Recombinant Human Cytochrome P450 Enzymes Expressed in Escherichia coli as Whole Cell Biocatalysts: Preparative Synthesis of Oxidized Metabolites of an mGlu5 Receptor Antagonist 138 5.3 Alpha-Keto Biooxidation Using Cunninghamella echinulata (DSM 63356) 147 5.4 Aromatic Hydroxylation: Preparation of 3,4-Dihydroxyphenylacetic Acid 150 5.5 Regioselective Aromatic Hydroxylation of Quinaldine Using Living Pseudomonas putida Cells Containing Quinaldine 4-Oxidase 153 5.6 Regioselective Preparation of 5-Hydroxypropranolol with a Fungal Peroxygenase 158 5.7 Microbial Conversion of b-Myrcene to Geraniol by a Strain of Rhodococcus 159 6 Oxidation of Alcohols 163 6.1 Preparative Method for the Enzymatic Synthesis of 5-Ketogluconic Acid and its Isolation 163 6.2 Selective Enzymatic Oxidation of Atropisomeric Diaryl Ethers by Oxidation with Oxygen and Catalytic Galactose Oxidase M3–5 166 6.3 Kinetic Resolution of Chiral Secondary Alcohols by Oxidation with Oxygen and Catalytic Galactose Oxidase M3-5 169 6.4 ADH Catalyzed Oxidation of Sec-Alcohols Using Molecular Oxygen 172 6.5 Irreversible Non-Enantioselective Oxidation of Secondary Alcohols Using Sphingobium ADH and Chloroacetone as Oxidant 175 6.6 Chemoselective Oxidation of Primary Alcohols to Aldehydes 177 7 Selective Oxidation 181 7.1 Enantioselective Biocatalytic Oxidative Desymmetrization of Substituted Pyrrolidines 182 7.2 Large Scale Baeyer–Villiger Monooxygenase-Catalyzed Conversion of (R,S)-3-phenylbutan-2-one 186 7.3 Synthesis of Optically Active 3-Alkyl-3-,4-dihydroioscoumarins by Dynamic Kinetic Resolutions Catalyzed by a Baeyer–Villiger Monooxygenase 190 7.4 Oxidative Cleavage of the B-Ring of (+)-Catechin 193 7.5 18O-Isotopic Labeling in the Meta-Dioxygenase Cleavage of (þ)-Catechin B-Ring 196 7.6 Biocatalytic Cleavage of Alkenes with Oxygen and Trametes hirsuta G FCC047 199 8 Industrial Hydrolases and Related Enzymes 203 8.1 Dynamic Kinetic Resolution of a-Halo Esters with Hydrolytic Enzymes and Sec-amine Bases 203 8.2 Kinetic Resolution of an Amino Ester Using Supported Mucor miehei Lipase (Lipozyme RM IM) 207 8.3 Large Scale Synthesis of (S)-Allysine Ethylene Acetal via Amino Acylase Resolution 212 8.4 Pilot-Scale Synthesis of (1R,2S,4S)-7-Oxabicyclo[2.2.1] heptan-2-exo-carboxylic Acid 214 8.5 A Selective Lipase-Catalyzed Mono-Acetylation of a Diol Suitable for a Telescoped Synthetic Process 217 8.6 A Protease-Mediated Hydrolytic Kinetic Resolution of an Atropisomeric Ester Operating Within an Unusually Narrow pH Window 220 8.7 Asymmetric Synthesis of Quaternary Amino Acids from Simple Bis Nitriles Using a Dual Nitrile Hydratase/Amidase Biocatalyzed Reaction 223 8.8 Development of an Improved Immobilized CAL-B for the Enzymatic Resolution of a Key Intermediate to Odanacatib 227 9 Transferases for Alkylation, Glycosylation and Phosphorylation 231 9.1 Industrial Production of Caffeic Acid-a-D-O-Glucoside 232 9.2 Enzymatic Synthesis of 5-Methyluridine by Transglycosylation of Guanosine and Thymine 235 9.3 Preparation and Use of Sucrose Phosphorylase as Cross-Linked Enzyme Aggregate (CLEA) 240 9.4 Enzymatic Synthesis of Phosphorylated Carbohydrates and Alcohols 244 9.5 Biocatalyzed Synthesis of Chiral O-Phosphorylated Derivative of 2-Hydroxy-2-phenylethanephosphonate 247 9.6 High Activity b-Galactosidase Preparation for Diastereoselective Synthesis of (R)-(1-Phenylethyl)-b-D-Galactopyranoside by Reverse Hydrolysis 250 9.7 Stereospecific Synthesis of Aszonalenins by Using Two Recombinant Prenyltransferases 254 9.8 Enzymatic Friedel–Crafts Alkylation Catalyzed by S-Adenosyl-L-methionine Dependent Methyl Transferase 258 10 C–C Bond Formation and Decarboxylation 263 10.1 Enzymatic, Stereoselective Synthesis of (S)-Norcoclaurine 264 10.2 Preparation of Non-Natural Tyrosine Derivatives from Pyruvate and Phenol Derivatives 267 10.3 Enzymatic a-Decarboxylation of L-Glutamic Acid in the Production of Biobased Chemicals 269 10.4 Asymmetric Decarboxylation of Arylmalonates and Racemization of Profens by Arylmalonate Decarboxylase and its Variants 274 10.5 Improved Enzymatic Preparation of 1-Deoxy-D-xylulose 5-Phosphate 280 10.6 On the Use of 2-Methyltetrahydrofuran (2-MeTHF) as Bio-Based (Co-) Solvent in Biotransformations 284 10.7 The Lipase-Catalyzed Asymmetric Michael Addition of Thienyl Nitroolefin to Acetylacetone 291 11 Halogenation/Dehalogenation/Heteroatom Oxidation 297 11.1 Preparation of Halogenated Molecules by a Fungal Flavin-Dependent Halogenase Heterologously Expressed in Escherichia coli 299 11.2 Preparation of Optically Pure Haloalkanes and Alcohols by Kinetic Resolution Using Haloalkane Dehalogenases 301 11.3 Preparation of Enantiopure Sulfoxides by Enantioselective Oxidation with Whole Cells of Rhodococcus sp. ECU0066 307 11.4 Kinetic Resolution of an Insecticidal Dithiophosphate by Chloroperoxidase Catalyzed Oxidation of the Thiophosphoryl Group 310 12 Tandem and Sequential Multi-Enzymatic Syntheses 313 12.1 Production of Isorhamnetin 3-O-Glucoside in Escherichia coli Using Engineered Glycosyltransferase 313 12.2 Multienzymatic Preparation of (-)-3-(Oxiran-2-yl)Benzoic Acid 317 12.3 Enzymatic Synthesis of Carbohydrates from Dihydroxyacetone and Aldehydes by a One Pot Enzyme Cascade Reaction 321 12.4 Aldolase Based Multi-Enzyme System for Carbon–Carbon Bond Formation 323 12.5 Tandem Biocatalytic Process for the Kinetic Resolution of b-Phenylalanine and its Analogs 331 12.6 A Chemoenzymatic Synthesis of a Deoxy Sugar Ester of N-Boc-Protected L-Tyrosine 335 12.7 Electrochemical Systems for the Recovery of Succinic Acid from Fermentations 339 Appendix 347 Index 355

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Book SynopsisMagnetic Resonance Imaging (MRI) is one of the most important tools in clinical diagnostics and biomedical research. This completely revised and extended second edition is presented in color and includes new chapters on targeted, responsive, PARACEST and nanoparticle MRI contrast agents.Table of ContentsList of Contributors xiii Preface xv 1 General Principles of MRI 1 Bich-Thuy Doan, Sandra Meme, and Jean-Claude Beloeil 1.1 Introduction 1 1.2 Theoretical basis of NMR 1 1.2.1 Short description of NMR 1 1.2.2 Relaxation times 4 1.2.3 Saturation transfer 4 1.2.4 Concept of localization by magnetic field gradients 4 1.3 Principles of magnetic resonance imaging 5 1.3.1 Spatial encoding 5 1.4 MRI pulse sequences 11 1.4.1 Definition 11 1.4.2 k-Space trajectory 12 1.4.3 Basic pulse sequences 13 1.5 Basic image contrast: Tissue characterization without injection of contrast agents (main contrast of an MRI sequence: Proton density (P), T1 and T2, T∗ 2) 16 1.5.1 Proton density weighting 17 1.5.2 T1 weighting 17 1.5.3 T2 weighting 17 1.5.4 T∗ 2 weighting 18 1.6 Main contrast agents 18 1.6.1 Gadolinium (Gd) complex agents 19 1.6.2 Iron oxide (IO) agents 19 1.6.3 CEST agents 20 1.7 Examples of specialized MRI pulse sequences for angiography (MRA) 21 1.7.1 Time of flight angiography: No contrast agent 21 1.7.2 Angiography using intravascular contrast agent (Blood pool CA) injection 21 1.7.3 DSC DCE MRI 23 References 23 2 Relaxivity of Gadolinium(III) Complexes: Theory and Mechanism 25 E´va To´th, Lothar Helm, and Andre´ Merbach 2.1 Introduction 25 2.2 Inner-sphere proton relaxivity 28 2.2.1 Hydration number and hydration equilibria 31 2.2.2 Gd–H distance 37 2.2.3 Proton/water exchange 39 2.2.4 Rotation 57 2.3 Second- and outer-sphere relaxation 64 2.4 Relaxivity and NMRD profiles 66 2.4.1 Fitting of NMRD profiles 66 2.4.2 Relaxivity of low-molecular-weight Gd(III) complexes 68 2.4.3 Relaxivity of macromolecular MRI contrast agents 69 2.4.4 Contrast agents optimized for application at high magnetic field 73 2.5 Design of high relaxivity agents: Summary 75 References 76 3 Synthesis and Characterization of Ligands and their Gadolinium(III) Complexes 83 Jan Kotek, Vojt¢§ech Kub´©¥¢§cek, Petr Hermann, and Ivan Luke¢§s 3.1 Introduction – general requirements for the ligands and complexes 83 3.2 Contrast agents employing linear polyamine scaffold 84 3.2.1 Synthesis of linear polyamine backbone 85 3.2.2 N-functionalization of linear polyamine scaffold 89 3.3 Contrast agents employing cyclen scaffold 103 3.3.1 Synthesis of the macrocyclic skeleton 103 3.3.2 N-functionalization of macrocyclic scaffold 106 3.4 Other types of ligands 123 3.4.1 H4TRITA and related ligands 123 3.4.2 H3PCTA and related ligands 123 3.4.3 TACN derivatives 126 3.4.4 Ligands with HOPO coordinating arms and related groups 130 3.4.5 H4AAZTA and related ligands 133 3.5 Bifunctional ligands and their conjugations 134 3.6 Synthesis and characterization of the Ln(III) complexes 138 3.6.1 General synthetic remarks 138 3.6.2 Characterization of the complexes 139 List of Abbreviations 144 References 146 4 Stability and Toxicity of Contrast Agents 157 Ern˜o Br¨ucher, Gyula Tircs´o, Zsolt Baranyai, Zolt´an Kov´acs, and A. Dean Sherry 4.1 Introduction 157 4.2 Equilibrium calculations 158 4.2.1 Constants that characterize metal ligand interactions (protonation constants of the ligands, stability constants of the complexes, conditional stability constants, ligand selectivity, and concentration of free Gd3+: pM) 158 4.2.2 A brief overview of the programs used in equilibrium calculations (calculation of protonation constants, stability constants, and equilibrium speciation diagrams) 159 4.3 Stability of metal–ligand complexes 160 4.3.1 Stability of complexes of open chain ligands (EDTA, DTPA, EGTA, and TTHA) 160 4.3.2 Stability of complexes of tripodal and AAZTA ligands 165 4.3.3 Stability of complexes of macrocyclic ligands 168 4.3.4 Ternary complexes formed between the Ln(L) complexes and various bio-ligands 176 4.3.5 Mn2+-based contrast agents 179 4.4 Kinetics of M(L) complex formation 184 4.4.1 Formation kinetics of DOTA complexes 184 4.4.2 Formation kinetics of complexes of simple DOTA-tetraamides 186 4.5 Dissociation of M(L) complexes 186 4.5.1 Inertness of complexes of open chain ligands (EDTA, DTPA, and AAZTA) 187 4.5.2 Decomplexation of DOTA complexes 190 4.5.3 Decomplexation of DOTA-tetraamide complexes 192 4.6 Biodistribution and in vivo toxicity of Gd3+-based MRI contrast agents 193 4.6.1 Osmolality and hydrophobicity of Gd3+-based MRI contrast agents 193 4.6.2 Biodistribution 194 4.6.3 In vivo toxicity 195 4.6.4 Predicting in vivo toxicity of Gd3+-based contrast agents using thermodynamic conditional stability constants 195 4.6.5 The role of kinetic inertness in determining in vivo toxicity 196 4.6.6 Kinetic inertness combined with thermodynamic stability is the best predictor of in vivo toxicity 197 4.6.7 Nephrogenic systemic fibrosis (NSF) 199 4.7 Concluding remarks 201 Acknowledgements 201 References 201 5 Structure, Dynamics, and Computational Studies of Lanthanide-Based Contrast Agents 209 Joop A. Peters, Kristina Djanashvili, Carlos F.G.C. Geraldes, and Carlos Platas-Iglesias 5.1 Introduction 209 5.2 Computational methods 210 5.3 Lanthanide-induced NMR shifts 213 5.3.1 Bulk magnetic susceptibility shifts 213 5.3.2 Diamagnetic shifts 213 5.3.3 Contact shifts 214 5.3.4 Pseudocontact shifts 215 5.3.5 Evaluation of bound shifts 216 5.3.6 Separation of shift contributions 217 5.4 Lanthanide-induced relaxation rate enhancements 219 5.4.1 Evaluation of bound relaxation rates 219 5.4.2 Inner-sphere relaxation 219 5.4.3 Outer-sphere relaxation 221 5.5 Anisotropic hyperfine interactions on the first coordination sphere water molecules 221 5.6 Evaluation of geometries by fitting NMR parameters 222 5.7 Two-dimensional NMR 224 5.8 139La and 89Y NMR 224 5.9 Water hydration numbers 225 5.10 Chirality of lanthanide complexes of polyaminocarboxylates 227 5.11 Complexes of non-macrocyclic polyaminocarboxylates 227 5.11.1 DTPA and derivatives 227 5.11.2 TTHA 236 5.11.3 EGTA 238 5.11.4 DTTA 239 5.11.5 Tripodal complexes 240 5.12 Complexes of macrocyclic ligands 244 5.12.1 DOTA and derivatives 244 5.12.2 DO3A and derivatives 250 5.12.3 PCTA and derivatives 252 5.12.4 TETA 253 5.12.5 DOTP 254 5.12.6 Phosphinates and phosphonate esters 257 5.12.7 Cationic macrocyclic lanthanide complexes 260 5.12.8 AAZTA 264 5.13 Fullerenes 265 References 267 6 Electronic Spin Relaxation and Outer-Sphere Dynamics of Gadolinium-Based Contrast Agents 277 Pascal H. Fries and Elie Belorizky 6.1 Introduction 277 6.2 Theory of electronic spin relaxation of Gd3+ ions 279 6.2.1 Classical approach: Bloch equations 279 6.2.2 Quantum approach: Electronic time correlation functions 281 6.2.3 The zero-field splitting Hamiltonian 281 6.2.4 The density matrix formalism 284 6.2.5 The Redfield approximation 285 6.2.6 The Swedish super-operator approaches 287 6.2.7 Monte-Carlo simulation of the Gd3+ electronic relaxation: The Grenoble method 288 6.3 Outer-sphere dynamics 289 6.3.1 Standard theory neglecting the electronic relaxation 289 6.3.2 Analytical hard-sphere models 291 6.3.3 The general case of anisotropic polyatomic molecules 292 6.3.4 Experimental determination of the dipolar time correlation function 292 6.4 Relaxivity quenching by the electronic spin relaxation 295 6.4.1 The various field regimes 295 6.4.2 Outer-sphere relaxivity 295 6.4.3 Inner- and second-sphere relaxivities 297 6.4.4 Application to a cyclodecapeptide Gd3+ complex 299 6.5 Various experimental approaches of the electronic spin relaxation 301 6.5.1 Outer-sphere relaxivity profiles 301 6.5.2 EPR spectroscopy 302 6.6 Conclusion and perspectives 306 6.A Appendix: Similar evolutions of the macroscopic magnetization of the electronic spin and of its correlation functions 307 References 308 7 Targeted MRI Contrast Agents 311 Peter Caravan and Zhaoda Zhang 7.1 Introduction 311 7.2 Serum albumin 313 7.3 Fibrin 319 7.4 Type I collagen 325 7.5 Elastin 326 7.6 Sialic acid 327 7.7 αVβ3 integrin 328 7.8 Folate receptor 329 7.9 Matrix metalloproteinases (MMP) 330 7.10 E-selectin 331 7.11 Fibrin-fibronectin complex 332 7.12 Alanine aminopeptidase (CD13) 332 7.13 Carbonic anhydrase 333 7.14 Interleukin 6 receptor 334 7.15 Estrogen and progesterone receptors 335 7.16 Contrast agents based on natural products 336 7.17 Messenger RNA (mRNA) 337 7.18 Myelin 338 7.19 DNA 338 7.20 Conclusions 340 References 340 8 Responsive Probes 343 Ce´lia S. Bonnet, Lorenzo Tei, Mauro Botta, and E´va To´th 8.1 Introduction 343 8.2 Probes responsive to physiological parameters 344 8.2.1 Temperature responsive probes 344 8.2.2 pH sensing 349 8.2.3 Redox responsive probes 360 8.2.4 Sensing of biologically relevant ions 364 8.2.5 Enzyme responsive probes 373 8.3 Conclusions 381 References 382 9 Paramagnetic CEST MRI Contrast Agents 387 Enzo Terreno, Daniela Delli Castelli, and Silvio Aime 9.1 Introduction 387 9.2 Theoretical and practical considerations on CEST response 388 9.2.1 NMR/chemical properties of CEST site(s) 391 9.2.2 NMR properties of the wat site 394 9.2.3 Instrumental variables 395 9.2.4 Variables dependent on the sample 397 9.2.5 Spectroscopic versus imaging detection of CEST response 399 9.2.6 Characterization of a CEST agent and its quantification 400 9.3 Diamagnetic versus paramagnetic CEST agents 400 9.4 Paramagnetic CEST agents 401 9.4.1 ParaCEST agents 402 9.4.2 SupraCEST agents 411 9.4.3 NanoCEST agents 413 9.5 Other exchange-mediated contrast modes accessible for paramagnetic CEST agents 419 9.6 Concluding remarks 421 References 421 10 Superparamagnetic Iron Oxide Nanoparticles for MRI 427 Sophie Laurent, Luce Vander Elst, and Robert N. Muller 10.1 Introduction 427 10.2 Synthesis of iron oxide nanoparticles 428 10.2.1 Coprecipitation in aqueous medium 429 10.2.2 Reverse micro-emulsions 430 10.2.3 Sol gel methods 430 10.2.4 Polyol methods 430 10.2.5 Hydrothermal methods 430 10.2.6 Sonochemistry methods 431 10.2.7 Pyrolytic methods 431 10.3 Stabilization 431 10.3.1 Steric stabilization: Natural or synthetic polymeric matrices 431 10.3.2 Electrostatical stabilization 432 10.4 Methods of vectorization for molecular imaging 432 10.5 Characterization 436 10.5.1 Relaxivity and NMRD profiles 436 10.6 Applications 440 10.6.1 Tissue labelling with iron oxide particles 441 10.6.2 Cellular and molecular labelling with iron oxide particles 442 10.6.3 Iron oxide nanoparticles as molecular MRI probes 442 10.7 Conclusions 444 Acknowledgements 444 References 444 11 Gd-Containing Nanoparticles as MRI Contrast Agents 449 Klaas Nicolay, Gustav Strijkers, and Holger Gr¨ull 11.1 Introduction 449 11.2 Length scales and excretion pathways 452 11.3 Preparation of Gd-containing nanoparticles 454 11.3.1 Lipid aggregates 455 11.3.2 Liposomes 456 11.3.3 Micelles 457 11.3.4 Other lipid-containing nanoparticles 458 11.3.5 Chemical structures of Gd-containing lipids 458 11.4 Methods for nanoparticle characterization 460 11.4.1 Morphology 461 11.4.2 Particle composition 462 11.4.3 Magnetic properties 464 11.4.4 Chelate stability 467 11.4.5 Miscellaneous techniques 468 11.5 In vitro applications 468 11.5.1 Target specificity 468 11.5.2 Cellular interactions, internalization, and compartmentation 470 11.5.3 Biological effects 475 11.6 In vivo applications 475 11.6.1 Target-specific imaging 476 11.6.2 Image-guided drug delivery 478 11.7 Conclusions and future perspectives 481 Acknowledgements 483 References 483 Index 489

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Book SynopsisA comprehensive review of the latest fingerprint development and imaging techniques With contributions from leading experts in the field, Fingerprint Development Techniques offers a comprehensive review of the key techniques used in the development and imaging of fingerprints. It includes a review of the properties of fingerprints, the surfaces that fingerprints are deposited on, and the interactions that can occur between fingerprints, surfaces and environments. Comprehensive in scope, the text explores the history of each process, the theory behind the way fingerprints are either developed or imaged, and information about the role of each of the chemical constituents in recommended formulations. The authors explain the methodology employed for carrying out comparisons of effectiveness of various development techniques that clearly demonstrate how to select the most effective approaches. The text also explores how techniques can be used in sequence and wTable of ContentsSeries Preface xi Acknowledgements xiii 1 Introduction 1Stephen M. Bleay and Marcel de Puit References 102 Formation of fingermarks 11 Stephen M. Bleay and Marcel de Puit 2.1 Introduction 11 2.2 Initial contact 12 2.3 Interaction outcomes 13 2.4 The finger 17 2.5 The surface 24 2.6 Removal of the finger from the surface 30 2.7 Summary of the initial contact 32 References 33 3 Composition and properties of fingermarks 35Ruth S. Croxton, Stephen M. Bleay and Marcel de Puit 3.1 Chemical composition of fingermarks 35 3.2 Biological properties of fingermarks 55 3.3 Physical properties of fingermarks 57 References 62 4 Ageing of fingermarks 69Stephen M. Bleay and Marcel de Puit 4.1 The ‘triangle of interaction’ 69 4.2 The fingermark 70 4.3 The surface 70 4.4 The environment 78 4.5 Interactions 81 4.6 Time 94 References 96 5 Initial examination and the selection of fingermark enhancement processes 99Stephen M. Bleay 5.1 Introduction 99 5.2 Processing options 100 5.3 Process selection 103 5.4 The processing environment 105 References 109 6 Optical detection and enhancement techniques 111Stephen M. Bleay 6.1 Introduction 111 6.2 Current operational use 116 6.3 Visual examination 117 6.4 Fluorescence examination 125 6.5 Ultraviolet reflection 138 6.6 Infrared reflection 141 6.7 Colour filtration and monochromatic illumination 144 6.8 Multispectral imaging 149 References 151 Further reading 153 7 Vapour phase techniques 155Stephen M. Bleay and Marcel de Puit 7.1 Introduction 155 7.2 Current operational use 156 7.3 Superglue/cyanoacrylate fuming 158 7.4 Vacuum metal deposition 172 7.5 Iodine fuming 181 7.6 Radioactive sulphur dioxide 185 7.7 Other fuming techniques 189 References 193 Further reading 196 8 Solid phase selective deposition techniques 199Stephen M. Bleay 8.1 Introduction 199 8.2 Current operational use 200 8.3 Powders 201 8.4 ESDA 213 8.5 Nanoparticle powders 216 References 219 9 Amino acid reagents 221Stephen M. Bleay 9.1 Introduction 221 9.2 Current operational use 223 9.3 Ninhydrin 224 9.4 1,8‐Diazafluoren‐9‐one 231 9.5 1,2‐Indandione 237 9.6 Ninhydrin analogues 242 9.7 Fluorescamine 246 9.8 o‐Phthalaldehyde 250 9.9 Genipin 252 9.10 Lawsone 256 9.11 Alloxan 259 9.12 4‐Chloro‐7‐nitrobenzofuran chloride 260 9.13 Dansyl chloride 262 9.14 Dimethylaminocinnemaldehyde and dimethylaminobenzaldehyde 263 References 268 Further reading 272 10 Reagents for other eccrine constituents 275Stephen M. Bleay 10.1 Introduction 275 10.2 Current operational use 276 10.3 4‐Dimethylaminocinnamaldehyde 277 10.4 Silver nitrate 279 References 281 Further reading 282 11 Lipid reagents 283Stephen M. Bleay 11.1 Introduction 283 11.2 Current operational use 285 11.3 Solvent Black 3 (Sudan Black) 286 11.4 Basic Violet 3 (Gentian Violet, Crystal Violet) 290 11.5 Oil Red O (Solvent Red 27) 295 11.6 Iodine solution 297 11.7 Ruthenium tetroxide 299 11.8 Osmium tetroxide 301 11.9 Europium chelate 302 11.10 Natural Yellow 3 (curcumin) 305 11.11 Nile Red and Nile Blue A 308 11.12 Basic Violet 2 311 11.13 Rubeanic acid–copper acetate 313 11.14 Phosphomolybdic acid 315 References 317 Further reading 320 12 Liquid phase selective deposition techniques 321Stephen M. Bleay 12.1 Introduction 321 12.2 Current operational use 323 12.3 Small particle reagent 326 12.4 Powder suspensions 330 12.5 Physical developer 336 12.6 Multi‐metal deposition 345 References 352 Further reading 355 13 Enhancement processes for marks in blood 357Stephen M. Bleay 13.1 Introduction 357 13.2 Current operational use 361 13.3 Protein stains 363 13.4 Peroxidase reagents 369 References 380 Further reading 381 14 Electrical and electrochemical processes 383Stephen M. Bleay 14.1 Introduction 383 14.2 Current operational use 385 14.3 Etching 386 14.4 Corrosion visualisation 388 14.5 Electrodeposition 392 References 397 Further reading 399 15 Miscellaneous processes: lifting and specialist imaging 401Stephen M. Bleay 15.1 Introduction 401 15.2 Current operational use 403 15.3 Lifting 404 15.4 Scanning electron microscopy 407 15.5 X‐ray fluorescence (and X‐ray imaging) 410 15.6 Secondary ion mass spectroscopy (SIMS) 413 15.7 Matrix‐assisted laser desorption/ionisation mass spectrometry (MALDI‐MS) 414 15.8 Attenuated total reflection Fourier transform infrared spectroscopy (ATR‐FTIR) 415 References 417 Further reading 419 16 Evaluation and comparison of fingermark enhancement processes 421Stephen M. Bleay 16.1 Introduction 421 16.2 Technology Readiness Level 3: Proof of concept 423 16.3 Technology Readiness Level 4: Process optimisation 425 16.4 Technology Readiness Level 5: Laboratory trials 427 16.5 Technology Readiness Level 6: Pseudo‐operational trials 437 16.6 Technology Readiness Level 7: Operational trials 439 16.7 Technology Readiness Level 8: Standard operating procedures 439 16.8 Technology Readiness Level 9: Ongoing monitoring 440 References 440 17 Sequential processing and impact on other forensic evidence 443Stephen M. Bleay and Marcel de Puit 17.1 Sequential processing of fingermarks 443 17.2 Test methodologies for developing processing sequences 449 17.3 Integrated sequential forensic processing 453 References 466 18 Interpreting the results of fingermark enhancement 469Stephen M. Bleay 18.1 Introduction 469 18.2 Location of the mark 471 18.3 Type of substrate 473 18.4 Constituents of the mark 478 18.5 Enhancement process 480 18.6 The environment 482 18.7 Image processing 483 18.8 Image capture 484 References 487 Index 489

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Book SynopsisEnzymes are giant macromolecules which catalyse biochemical reactions. They are remarkable in many ways. Their three-dimensional structures are highly complex, yet they are formed by spontaneous folding of a linear polypeptide chain.Trade Review“Summing Up: Recommended. Lower-and upper-division undergraduates.” (Choice, 1 April 2013)Table of ContentsPreface ix Representation of Protein Three-Dimensional Structures x 1 From Jack Beans to Designer Genes 1 1.1 Introduction 1 1.2 The discovery of enzymes 1 1.3 The discovery of coenzymes 3 1.4 The commercial importance of enzymes in biosynthesis and biotechnology 3 1.5 The importance of enzymes as targets for drug discovery 6 2 All Enzymes Are Proteins 7 2.1 Introduction 7 2.2 The structures of the L-α-amino acids 7 2.3 The primary structure of polypeptides 9 2.4 Alignment of amino acid sequences 11 2.5 Secondary structures found in proteins 12 2.6 The folded tertiary structure of proteins 15 2.7 Enzyme structure and function 17 2.8 Metallo-enzymes 20 2.9 Membrane-associated enzymes 21 2.10 Glycoproteins 23 3 Enzymes Are Wonderful Catalysts 26 3.1 Introduction 26 3.2 A thermodynamic model of catalysis 28 3.3 Proximity effects 30 3.4 The importance of transition state stabilisation 32 3.5 Acid/base catalysis in enzymatic reactions 36 3.6 Nucleophilic catalysis in enzymatic reactions 40 3.7 The use of strain energy in enzyme catalysis 44 3.8 Desolvation of substrate and active site nucleophiles 45 3.9 Catalytic perfection 46 3.10 The involvement of protein dynamics in enzyme catalysis 47 4 Methods for Studying Enzymatic Reactions 50 4.1 Introduction 50 4.2 Enzyme purification 50 4.3 Enzyme kinetics 52 4.4 The stereochemical course of an enzymatic reaction 59 4.5 The existence of intermediates in enzymatic reactions 64 4.6 Analysis of transition states in enzymatic reactions 68 4.7 Determination of active site catalytic groups 71 5 Hydrolytic and Group Transfer Enzymes 77 5.1 Introduction 77 5.2 The peptidases 79 CASE STUDY: HIV-1 protease 90 5.3 Esterases and lipases 92 5.4 Acyl transfer reactions in biosynthesis (coenzyme A) 93 5.5 Enzymatic phosphoryl transfer reactions 95 5.6 Adenosine 5’-triphosphate (ATP) 101 5.7 Enzymatic glycosyl transfer reactions 102 5.8 Methyl group transfer: use of S-adenosyl methionine and tetrahydrofolate coenzymes for one-carbon transfers 107 6 Enzymatic Redox Chemistry 115 6.1 Introduction 115 6.2 Nicotinamide adenine dinucleotide-dependent dehydrogenases 117 6.3 Flavin-dependent dehydrogenases and oxidases 122 6.4 Flavin-dependent mono-oxygenases 128 6.5 CASE STUDY: Glutathione and trypanothione reductases 129 6.6 Deazaflavins and pterins 133 6.7 Iron-sulphur clusters 135 6.8 Metal-dependent mono-oxygenases 136 6.9 α-Ketoglutarate-dependent dioxygenases 140 6.10 Non-heme iron-dependent dioxygenases 141 7 Enzymatic Carbon–Carbon Bond Formation 148 7.1 Introduction 148 Carbon–carbon bond formation via carbanion equivalents 149 7.2 Aldolases 149 CASE STUDY: Fructose 1,6-bisphosphate aldolase 150 7.3 Claisen enzymes 153 7.4 Assembly of fatty acids and polyketides 156 7.5 Carboxylases: Use of biotin 158 7.6 Ribulose bisphosphate carboxylase/oxygenase (Rubisco) 161 7.7 Vitamin K-dependent carboxylase 163 7.8 Thiamine pyrophosphate-dependent enzymes 165 Carbon–carbon bond formation via carbocation intermediates 168 7.9 Terpene cyclases 168 Carbon–carbon formation through radical intermediates 173 7.10 Phenolic radical couplings 173 8 Enzymatic Addition/Elimination Reactions 181 8.1 Introduction 181 8.2 Hydratases and dehydratases 182 8.3 Ammonia lyases 187 8.4 Elimination of phosphate and pyrophosphate 190 8.5 CASE STUDY: 5-Enolpyruvyl shikimate 3-phosphate (EPSP) synthase 191 9 Enzymatic Transformations of Amino Acids 197 9.1 Introduction 197 9.2 Pyridoxal 5’-phosphate-dependent reactions at the α-position 197 9.3 CASE STUDY: Aspartate aminotransferase 201 9.4 Reactions at the β- and γ-positions of amino acids 204 9.5 Serine hydroxymethyltransferase 206 9.6 N-Pyruvoyl-dependent amino acid decarboxylases 208 9.7 Imines and enamines in alkaloid biosynthesis 208 10 Isomerases 213 10.1 Introduction 213 10.2 Cofactor-independent racemases and epimerases 213 10.3 Keto-enol tautomerases 216 10.4 Allylic isomerases 217 10.5 CASE STUDY: Chorismate mutase 219 11 Radicals in Enzyme Catalysis 225 11.1 Introduction 225 11.2 Vitamin B12-dependent rearrangements 225 11.3 The involvement of protein radicals in enzyme catalysis 229 11.4 S-adenosyl-methionine-dependent radical reactions 232 11.5 Biotin synthase and sulphur insertion reactions 233 11.6 Radical chemistry in DNA repair enzymes 234 11.7 Oxidised amino acid cofactors and quinoproteins 238 12 Non-Enzymatic Biological Catalysis 242 12.1 Introduction 242 12.2 Catalytic RNA 242 12.3 Catalytic antibodies 246 12.4 Synthetic enzyme models 251 Appendix 1: Cahn-Ingold-Prelog Rule for Stereochemical Nomenclature 258 Appendix 2: Amino Acid Abbreviations 260 Appendix 3: A Simple Demonstration of Enzyme Catalysis 261 Appendix 4: Answers to Problems 263 Index 271

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Book SynopsisThis concise and accessible book provides organic chemistry notes for students studying chemistry and related courses at undergraduate level, covering core organic chemistry in a format ideal for learning and rapid revision.Trade Review“I recommend instructors delivering undergraduate organic chemistry consider promoting this textbook to their students as a keynote revision guide.” (Appl. Organometal. Chem, 17 November 2014)Table of ContentsPreface xi 1 Structure and bonding 1 1.1 Ionic versus covalent bonds 1 1.2 The octet rule 2 1.3 Formal charge 2 1.4 Sigma and pi bonds 3 1.5 Hybridisation 4 1.6 Inductive effects, hyperconjugation and mesomeric effects 6 1.7 Acidity and basicity 9 2 Functional groups, nomenclature and drawing organic compounds 21 2.1 Functional groups 21 2.2 Alkyl and aryl groups 22 2.3 Alkyl substitution 23 2.4 Naming carbon chains 23 2.5 Drawing organic structures 27 3 Stereochemistry 31 3.1 Isomerism 31 3.2 Conformational isomers 32 3.3 Configurational isomers 37 4 Reactivity and mechanism 49 4.1 Reactive intermediates: ions versus radicals 49 4.2 Nucleophiles and electrophiles 51 4.3 Carbocations, carbanions and carbon radicals 53 4.4 Steric effects 55 4.5 Oxidation levels 55 4.6 General types of reaction 56 4.7 Ions versus radicals 59 4.8 Reaction selectivity 60 4.9 Reaction thermodynamics and kinetics 60 4.10 Orbital overlap and energy 65 4.11 Guidelines for drawing reaction mechanisms 67 5 Halogenoalkanes 73 5.1 Structure 73 5.2 Preparation 74 5.3 Reactions 78 6 Alkenes and alkynes 95 6.1 Structure 95 6.2 Alkenes 97 6.3 Alkynes 110 7 Benzenes 117 7.1 Structure 117 7.2 Reactions 119 7.3 Reactivity of substituted benzenes 123 7.4 Nucleophilic aromatic substitution (the SNAr mechanism) 127 7.5 The formation of benzyne 128 7.6 Transformation of side chains 129 7.7 Reduction of the benzene ring 132 7.8 The synthesis of substituted benzenes 132 7.9 Electrophilic substitution of naphthalene 135 7.10 Electrophilic substitution of pyridine 135 7.11 Electrophilic substitution of pyrrole, furan and thiophene 136 8 Carbonyl compounds: aldehydes and ketones 139 8.1 Structure 139 8.2 Reactivity 140 8.3 Nucleophilic addition reactions 142 8.4 a-Substitution reactions 156 8.5 Carbonyl-carbonyl condensation reactions 160 9 Carbonyl compounds: carboxylic acids and derivatives 167 9.1 Structure 167 9.2 Reactivity 168 9.3 Nucleophilic acyl substitution reactions 168 9.4 Nucleophilic substitution reactions of carboxylic acids 170 9.5 Nucleophilic substitution reactions of acid chlorides 171 9.6 Nucleophilic substitution reactions of acid anhydrides 172 9.7 Nucleophilic substitution reactions of esters 173 9.8 Nucleophilic substitution and reduction reactions of amides 175 9.9 Nucleophilic addition reactions of nitriles 176 9.10 a-Substitution reactions of carboxylic acids 178 9.11 Carbonyl-carbonyl condensation reactions 178 10 Spectroscopy 185 10.1 Mass spectrometry (MS) 185 10.2 The electromagnetic spectrum 189 10.3 Ultraviolet (UV) spectroscopy 190 10.4 Infrared (IR) spectroscopy 192 10.5 Nuclear magnetic resonance (NMR) spectroscopy 194 11 Natural products and synthetic polymers 207 11.1 Carbohydrates 207 11.2 Lipids 209 11.3 Amino acids, peptides and proteins 211 11.4 Nucleic acids 213 11.5 Synthetic polymers 214 Worked example 218 Problems 219 Appendix 1: Bond dissociation enthalpies 221 Appendix 2: Bond lengths 223 Appendix 3: Approximate pKa values (relative to water) 225 Appendix 4: Useful abbreviations 227 Appendix 5: Infrared absorptions 229 Appendix 6: Approximate NMR chemical shifts 231 Appendix 7: Reaction summaries 235 Appendix 8: Glossary 241 Further reading 249 Outline answers 251 Index 277

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Book SynopsisINDUSTRIAL STRATEGIES AND SOLUTIONS FOR 3D PRINTING Multidisciplinary, up-to-date reference on 3D printing from A to Z, including material selection, in-process monitoring, process optimization, and machine learning Industrial Strategies and Solutions for 3D Printing: Applications and Optimization offers a comprehensive overview of the 3D printing process, covering relevant materials, control factors, cutting-edge concepts, and applications across various industries such as architecture, engineering, medical, jewelry, footwear, and industrial design. While many published books and review papers have explored various aspects of 3D printing, they often approach the topic from a specific perspective. This book instead views 3D printing as a multidisciplinary field, extending beyond its rapid growth into emerging areas like data science and artificial intelligence. Written by three highly qualified academics with significant research experience in relat

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Book SynopsisPREBIOTICS AND PROBIOTICS IN DISEASE REGULATION AND MANAGEMENT The book covers all the emerging technologies and the challenges related to the synthesis and application of prebiotics and probiotics including the recent developments in the delivery of prebiotics, probiotics for the treatment of various diseases, the immune-boosting activity of the emerging prebiotics and probiotic ingredients, and the anti-cancer and anti-tumor potential The demand for biobased products is increasing enormously, among which are prebiotic oligosaccharides and probiotics, which occupy a major share of the food industry. Even though the majority of agro waste is currently being used for the production of 2G biofuels, agro waste such as citrus peel, sugar beet pulp, copra meal, and wheat husk can be considered for the production of prebiotic oligosaccharides. Prebiotics are dietary fibers that are selectively fermented by the microbes present in the gut and promote the growth of beneficial bacteria in the iTable of ContentsPreface xiii 1 Role of Probiotics in Treatment of Gut-Related Diseases 1Kunal Kumar and Rajani Sharma 1.1 Introduction 1 1.1.1 Major Gut-Related Diseases and Probiotics Interaction 2 1.1.2 Metabolism in Probiotics 8 1.1.3 Sources of Probiotics 8 1.2 Nutrition Enrichment by Probiotics 8 1.3 Symbiotic Relation of Probiotics in the Gut 9 1.3.1 Mechanism of Interaction 10 1.3.2 Escaping Mechanism of Probiotics From Immune Cells 11 1.4 Probiotics Role in Boosting Host Immunity 11 1.5 Commercial Probiotic Products Possessing Beneficial Properties 12 1.5.1 Probiotics in Dairy Products 12 1.5.2 Fermentation of Fruit Juices With Fortified Probiotic Lactobacilli 14 1.5.3 Probiotics as Pharmaceutics 14 1.6 Controversial/Side Effects of Probiotics 22 1.7 Conclusion 22 1.8 Future Prospect 22 References 22 2 Immune Response of Fructo and Galacto-Oligosaccharides 27Muthu Vijayasarathy, Yesudass Antony Prabhu, Selvan Pavithra, Selvaraj Jothi Prabha and Tingirikari Jagan Mohan Rao Abbreviations 28 2.1 Introduction 29 2.2 Sources of FOS and GOS 30 2.3 Synthesis of FOS and GOS 31 2.4 Bifidogenesis of FOS and GOS 32 2.5 Mechanisms of Oligosaccharides Mediated Immune Effects 33 2.5.1 Intestinal Immune Cells 33 2.5.2 Intestinal Epithelial Barrier 36 2.5.3 Microbiota-Dependent Effects of Oligosaccharides 37 2.5.3.1 Indirect Effect of Oligosaccharides on Intestinal Epithelial Cells 37 2.5.3.2 An Indirect Effect of Oligosaccharides on Immune Cells 40 2.5.4 Microbiota Independent Effects of Oligosaccharides 41 2.5.4.1 Direct Effect on Intestinal Epithelial Cells 41 2.5.4.2 Direct Effects on Immune Cells 44 2.6 Immunomodulatory Effects of Fructooligosaccharides and Galactooligosaccharides 45 2.6.1 Gastrointestinal Disease 45 2.6.2 Immune Stimulation 46 2.6.3 Allergy 48 2.6.4 Mineral Absorption 48 2.6.5 Inflammatory Bowel Diseases 49 2.6.6 Cancer 49 2.6.7 Cholesterol and Triglyceride Reduction 50 2.7 Conclusion 51 Acknowledgment 51 References 51 3 Human Mucosal Organ and Application of Probiotics 61Tanuja Mohanty, Bhanu Pratap Gurjar and Usha Nagarajan 3.1 Introduction 62 3.2 Mode of Action of Probiotics on Human Mucosa 63 3.2.1 Bifidobacterium 65 3.2.2 Streptococcus 66 3.2.3 Lactobacillus 67 3.3 Application of Probiotics 69 3.3.1 Probiotics for Gastrointestinal Disorders 70 3.3.1.1 Inflammatory Bowel Syndrome 70 3.3.1.2 Colon Cancer 77 3.3.1.3 Gastric Ulcers 78 3.3.1.4 Acute Gastroenteritis 78 3.3.2 Probiotics for Respiratory Disorders 79 3.3.2.1 Asthma 79 3.3.2.2 Cerebral Ischemia/Reperfusion Injury 81 3.3.2.3 Cystic Fibrosis and Chronic Obstructive Pulmonary Disease (COPD) 82 3.3.2.4 Viral Infection (Mainly SARS-CoV-2) 83 3.3.3 Application of Probiotics on Ageing-Related Mucus Impairment 84 3.4 Conclusion 85 Acknowledgment 85 References 86 4 Prebiotics and Probiotics as Anticancer Therapeutics 95Dixita Chettri, Ashwani Kumar Verma and Anil Kumar Verma Abbreviations 95 4.1 Introduction 96 4.2 Prebiotic vs Probiotic 97 4.2.1 Definition and Difference 99 4.2.2 Criteria for Use as a Dietary Supplement 99 4.2.3 Source/Method of Administration 104 4.3 Prebiotics and Probiotics Association with Gut Microbiota and Human Health 104 4.3.1 Role of the Gut Microbiota in Overall Human Health 105 4.3.2 Prebiotic and Probiotic Influence on Gut Microbiome Composition 107 4.4 Cancer 109 4.4.1 Procarcinogens and Carcinogens 110 4.4.2 Types of Cancer 111 4.4.2.1 Colorectal Cancer (CRC) 111 4.4.2.2 Gastric Cancer 112 4.4.2.3 Pancreatic Cancer 112 4.4.2.4 Prostate Cancer 113 4.4.2.5 Breast Cancer 114 4.4.2.6 Skin Cancer 114 4.5 Anticancer Potential of Probiotics and Prebiotics 114 4.5.1 Clinical Evidences 115 4.5.1.1 Clinical Evidence for the Anticancer Potential of Probiotics 115 4.5.1.2 Clinical Evidences for Anticancer Potential of Prebiotics 124 4.5.2 Safety and Quality Control Assurance 125 4.6 Conclusion and Future Prospect 127 Acknowledgment 127 References 127 5 Application of Nanotechnology in Formulation of Nutraceuticals 133Pradnya Jadhav, Sakshi Kor and Shadab Ahmed 5.1 Introduction 134 5.2 Delivery System 137 5.2.1 Lipid-Based Delivery System 138 5.2.1.1 Nanoemulsions 138 5.2.1.2 Nanoliposomes 139 5.2.1.3 Solid Lipid Nanoparticles (SLN) and Nanostructured Lipid Carriers (NLC) 140 5.2.2 Polysaccharide-Based Delivery System 141 5.2.2.1 Polymeric Nanoparticle 142 5.2.2.2 Polymeric Micelle 143 5.2.3 Protein-Based Delivery System 143 5.3 Advantages of Nanotechnology in Nutraceuticals 144 5.4 Why are Nanoparticles or Nanomaterials Used? 144 5.5 Applications and Advantages of Nanotechnology to Improve the Specific Quality 144 5.6 Challenges Faced During Production of Nutraceuticals Using Nanotechnology 149 5.7 Conclusion and Future Prospects 152 References 152 6 Challenges in Development of Prebiotic and Probiotics 161Pradnya Jadhav, Sakshi Kor and Shadab Ahmed 6.1 Introduction 161 6.1.1 Probiotics, Prebiotics, and Synbiotics 162 6.1.1.1 Probiotics 162 6.1.1.2 Prebiotics 163 6.1.1.3 Synbiotics 164 6.1.2 History of Probiotics and Prebiotics 164 6.2 Current Use of Probiotics and Prebiotics for Health Benefits 166 6.2.1 Prebiotic and Probiotic Health Benefits 166 6.2.1.1 Prebiotics Uses in Health Benefits 166 6.2.1.2 Probiotics Uses in Health Benefits 169 6.2.2 Prebiotics and Probiotics Used in Combinatorial Approach for Health Benefits 171 6.2.3 Limitations of Probiotics 172 6.3 Development of New Generation of Probiotics/Prebiotics 173 6.3.1 Development of New Generation of Probiotics 173 6.3.2 New Prebiotics With Improved Effect on GIT Microbiota for Health Benefits 174 6.3.3 Improvement in Viability of Probiotics 174 6.3.4 Current Trends and Scope for Development 176 References 176 7 Immunostimulatory Role of Prebiotics and Probiotics 185Tanuja Mohanty, Bhanu Pratap Gurjar, Sudheer BabuYangala and Usha Nagarajan 7.1 Introduction 186 7.2 Prebiotics 186 7.2.1 Galacto-Oligosaccharides (GOS) 188 7.2.2 Fructo-Oligosaccharides and Polysaccharides 191 7.2.3 Raffinose 192 7.2.4 Human Milk Oligosaccharides 192 7.2.5 Flavanols 193 7.2.6 Polyunsaturated Fatty Acids 194 7.3 Probiotics 194 7.4 Role of Prebiotics and Probiotics in Immunorelated Diseases 198 7.4.1 Multiple Sclerosis (MS) 198 7.4.2 Respiratory Tract Infections 199 7.4.3 Cardiovascular Disease (CVD) 202 7.4.4 Type 1 Diabetes (T1D) 204 7.4.5 Colorectal Cancer 205 7.4.6 Inflammatory Bowel Diseases 207 7.4.7 Rheumatoid Arthritis (RA) 208 7.4.8 Muscle Wasting 209 7.5 Conclusion 209 Acknowledgment 210 References 210 8 Bioinformatics and Advanced Research in Gut Microflora 219Arabinda Ghosh, Muddukrishnaiah Kotakonda, VedantVikrom Borah and Nobendu Mukerjee 8.1 Introduction 220 8.2 Computational and Metagenomic Approaches 221 8.3 Antibiotic Resistance Genes Have Been Revealed in the Gut Microbiota of People Across the Globe 223 8.4 Microbiota in the Human Intestine 224 8.5 Probiotics Modes of Action 225 8.6 Exclusion from Competition 225 8.7 Bacterial Antagonism 226 8.8 Antibacterial Activity 226 8.9 Neutralization of Pathogenic Bacteria-Produced Enterotoxins 226 8.10 Immune Modulation 226 8.11 Adhesion to the Digestive System Wall to Prevent Harmful Bacteria From Colonizing 227 8.12 Competing with Pathogenic Bacteria for Nutrients in the Gut 227 8.13 Metagenomics in Microbiome and Probiotics Research 227 8.14 Microbiome and Probiotics Research Challenges 229 8.15 Potential Prebiotic Screening for Promoting Probiotic Health 230 8.15.1 Extraction and Characterization of Prebiotics 230 8.15.2 Screening Prebiotics for Probiotic Growth Promotion 231 8.15.3 Database System for Prebiotic Research 232 8.16 Conclusion 232 References 234 9 Prebiotics and Probiotics in Regulation of Metabolic Disorders 239Manswama Boro, Sushruta Bhadra and Anil Kumar Verma Abbreviations 240 9.1 Introduction 240 9.2 Probiotics 241 9.3 Prebiotics 245 9.4 The Role of Gut Microbiota in Metabolic Disorders 246 9.4.1 Obesity 246 9.4.2 Diabetes 248 9.4.3 Liver Disorders 249 9.4.4 Cardiometabolic Disorders 250 9.5 Effect of Prebiotics on Metabolic Disorders 251 9.5.1 Mechanism of Action 251 9.5.2 Prebiotics With Other Components 253 9.6 Effect of Probiotics on Metabolic Disorders 256 9.6.1 Role of Probiotics on Obesity 259 9.6.2 Role of Probiotics on Diabetes 259 9.6.3 Role of Probiotics on Cardiovascular Disease (CVD) 260 9.6.4 Role of Probiotics on Acute Liver Injury (ALI) 262 9.6.5 Engineering Probiotics for Targeted Therapeutics 262 9.7 Conclusion and Future Prospect 263 Acknowledgment 264 References 264 10 Developing Formulations of Prebiotics and Probiotics 271Eknath D. Ahire, Nisha Sharma, Prakash Chandra Gupta, Shubham Khairnar, Khemchand Surana, Bhavana Ahire, Vijayraj Sonawane, Umesh Laddha, Sneh Sonkamble, Rahul Sabale and Sanjay Kshirsagar 10.1 Introduction 272 10.2 Probiotics 272 10.3 Prebiotics 275 10.4 Synbiotics 278 10.5 Challenges for New Probiotic and Prebiotic-Based Foods 279 10.6 Production of Probiotics at a Low Cost 282 10.7 Improving Viability of Probiotics 282 10.8 Conclusions 284 Acknowledgment 285 References 285 11 Oral Health and Prebiotics 291Khemchand Surana, Eknath D. Ahire, Ritesh Pawar, Ritesh Khairnar, Sunil Mahajan, Sanjay Kshirsagar, Swati G. Talele, Nilima Thombre, Bhavana Ahire and Raj K. Keservani 11.1 Introduction 292 11.1.1 Prebiotic 292 11.1.2 Prebiotic Selection Criteria 293 11.1.3 Prebiotics Mechanism of Action 294 11.2 Oral Microbiota in Health and Disease 296 11.2.1 Functions of Resident Microbiota 296 11.2.2 Microbiota Responsible for Oral Diseases 296 11.2.3 Is Prebiotics Considered a Feasible Substitute for the Treatment of Oral Diseases? 297 11.2.4 Classification of Prebiotic 298 11.3 Nitrate as Potential Prebiotic for Oral Health 305 11.4 Commercial Product of Prebiotic on Oral Health 307 11.5 Future Viewpoint 307 11.6 Conclusion 307 Acknowledgement 307 References 308 Index 311

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Book SynopsisDRUG DESIGN USING MACHINE LEARNING The use of machine learning algorithms in drug discovery has accelerated in recent years and this book provides an in-depth overview of the still-evolving field. The objective of this book is to bring together several chapters that function as an overview of the use of machine learning and artificial intelligence applied to drug development. The initial chapters discuss drug-target interactions through machine learning for improving drug delivery, healthcare, and medical systems. Further chapters also provide topics on drug repurposing through machine learning, drug designing, and ultimately discuss drug combinations prescribed for patients with multiple or complex ailments. This excellent overview Provides a broad synopsis of machine learning and artificial intelligence applications to the advancement of drugs;Details the use of molecular recognition for drug development through various mathematical models;Highlights classical as well as machine lear

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Book Synopsis

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