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Over the last two decades, advances in the design, miniaturization, and analytical capabilities of portable X-ray fluorescence (pXRF) instrumentation have led to its rapid and widespread adoption in a remarkably diverse range of applications in research and industrial fields. The impetus for this volume was that, as pXRF continues to grow into mainstream use, analysts should be increasingly empowered with the right information to safely and effectively employ pXRF as part of their analytical toolkit. This volume provides introductory and advanced-level users alike with readings on topics ranging from basic principles of pXRF and qualitative and quantitative approaches, through to machine learning and artificial intelligence for enhanced applications. It also includes fundamental guidance on calibrations, the mathematics of calculating uncertainties, and an extensive reference index of all elements and their interactions with X-rays. Contributing authors have provided a wealth of information and case studies in industry-specific chapters. These sections delve into detail on current standard practices in industry and research, including examples from agricultural and geo-exploration sectors, research in art and archaeology, and metals industrial and regulatory applications. As pXRF continues to grow in use in industrial and academic settings, it is essential that practitioners continue to learn, share, and implement informed and effective use of this technique. This volume serves as an accessible guidebook and go-to reference manual for new and experienced users in pXRF to achieve this goal.

• Bridged Lactams as Model Systems for Amidic Distortion / Tyler J Fulton, Yun E Du, Brian M Stoltz
• Modification of Amidic Resonance Through Heteroatom Substitution at Nitrogen: Anomeric Amides / Stephen A Glover, Adam A Rosser
• Amide Bond Activation by Twisting and Nitrogen Pyramidalization / Yuko Otani, Tomohiko Ohwada
• Transition-Metal-Free Reactions of Amides by Tetrahedral Intermediates / Marco Blangetti, Karen Vega-Hernández, Margherita Miele, Vittorio Pace
• Electrophilic Amide Bond Functionalization / Carlos R Gonçalves, Daniel Kaiser
• Transamidation of Carboxamides and Amide Derivatives: Mechanistic Insights, Concepts, and Reactions / Paola Acosta-Guzmán, John Corredor-Barinas, Diego Gamba-Sánchez
• Amide Bond Esterification and Hydrolysis / Kazushi Mashima, Takahiro Hirai, Haruki Nagae
• Activation of Amide C-N Bonds by Nickel Catalysis / Liana Hie, Tejas K Shah
• Pd-NHC Catalysis in Cross-Coupling of Amides / Faez S Alotaibi, Michael R Chhoun, Gregory R Cook
• Cross-Coupling of Amides Through Decarbonylation / Hong Lu, Hao Wei
• Transition Metal-Catalyzed Radical Reactions of Amides / Taline Kerackian, Didier Bouyssi, Nuno Monteiro, Abderrahmane Amgoune
• W einreb Amide as a Multifaceted Directing Group in C - H Activation / Jayabrata Das, Debabrata Maiti
• Computational Studies of Amide C-N Bond Activation / Xin Hong, Pei-Pei Xie, Zhi-Xin Qin, Shuo-Qing Zhang
• Esters as Viable Acyl Cross-Coupling Electrophiles / Omid Daneshfar, Stephen G Newman
• Cross-Coupling of Aromatic Esters by Decarbonylation / Kei Muto, Junichiro Yamaguchi.

• Tentative table of contents: 1) Historical overview 2) Simple electronic and structural models (counting rules) 3) From Organic to Inorganic Aromatic Compounds 4) Stability, Reactivity, and Aromaticity 5) Descriptors of aromaticity: Geometric Criteria 6) Descriptors of aromaticity: Energetic Criteria 7) Descriptors of aromaticity: Magnetic Criteria 8) Descriptors of aromaticity: Electronic Criteria 9) Homoaromaticity 10) Heteroaromaticity 11) Moebius Aromaticity 12) Sigma, pi, delta, and phi Aromaticity 13) Distortivity of pi-electrons 14) Fullerenes and 3D-Aromaticity 15) Excited state aromaticity.
• (source: Nielsen Book Data)

Aromaticity and Antiaromaticity A comprehensive review of the science of aromaticity, as well as its evolution, from benzene to atomic clusters In Aromaticity and Antiaromaticity: Concepts and Applications, a team of accomplished chemists delivers a comprehensive exploration of the evolution and critical aspects of aromaticity. The book examines the new global criteria used to evaluate aromaticity, including the Nucleus Independent Chemical Shift (NICS) index and the electronic indices based on electronic properties. Additional discussions of inorganic aromatic compounds developed in this century, which give rise to new concepts like multifold aromaticity, are included. Three-dimensional aromaticity found in fullerenes and nanotubes, Moebius aromaticity present in some annulenes, and excited state aromaticity are explored as well. This volume explores the geometrical, electronic, magnetic, and thermodynamic characteristics of aromatic and antiaromatic compounds and their reactivity properties. It also provides: A thorough historical overview of aromaticity, as well as simple electronic and structural models Comprehensive explorations of organic and inorganic aromatic compounds, concepts of stability and reactivity, and geometric, energetic, magnetic, and electronic criteria of descriptors of aromaticity Practical discussions of heteroaromaticity, as well as Moebius aromaticity and excited state aromaticity In-depth examinations of sigma, pi, delta, and phi aromaticity Perfect for graduate students, researchers, and academics interested in aromaticity, organometallic chemistry, and computational chemistry, Aromaticity and Antiaromaticity: Concepts and Applications will also earn a place in the libraries of professionals and researchers working in organic, inorganic, and physical chemistry.
(source: Nielsen Book Data)

• Intro
• Title
• Copyright
• Contents
• Chapter 1 Asymmetric Autocatalysis: The Soai Reaction, an Overview
• 1.1 Introduction
• 1.1.1 Characteristic Features of Life
• 1.1.2 Origin of Homochirality and Amplification of Enantiomeric Excess
• 1.2 Asymmetric Autocatalysis
• 1.2.1 Principle of Asymmetric Autocatalysis
• 1.2.2 Discovery of Asymmetric Autocatalysis of 5-Pyrimidyl, 3-Quinolyl, and 5-Carbamoyl-3-pyridyl Alkanols with Amplification of Enantiomeric Excess: The Soai Reaction
• 1.2.3 Trajectory Leading to the Discovery of Asymmetric Autocatalysis

• 1.2.4 The First Asymmetric Autocatalysis of 3-Pyridyl Alkanol
• 1.2.5 Highly Enantioselective Asymmetric Autocatalysis
• 1.2.6 Discovery of Asymmetric Autocatalysis with Amplification of Enantiomeric Excess. The Soai Reaction
• 1.2.7 Investigation of the Mechanism of Asymmetric Autocatalysis
• 1.3 Studies on the Origins of Homochirality by Using Asymmetric Autocatalysis
• 1.3.1 Circularly Polarized Light
• 1.3.2 Chiral Inorganic Crystals of Quartz, Cinnabar, Sodium Chlorate, Retgersite, and the Enantiotopic Face of Achiral Crystals of Gypsum
• 1.3.3 Organic Crystals

• 1.4 Absolute Asymmetric Synthesis
• 1.4.1 Realization of Absolute Asymmetric Synthesis
• 1.4.2 Absolute Asymmetric Synthesis under Solid-Vapor Conditions
• 1.5 Chiral Hydrogen, Carbon, Oxygen, and Nitrogen Isotopomers Act as the Origin of Homochirality in Conjunction with Asymmetric Autocatalysis
• 1.6 Various Chiral Materials Including Cryptochiral Compounds as Triggers for Asymmetric Autocatalysis
• 1.7 Unusual Phenomena of the Reversal of the Sense of Enantioselectivities Detected by Asymmetric Autocatalysis

• 1.8 Application of Asymmetric Autocatalysis for the Synthesis of Various Chiral Compounds
• 1.9 Conclusions
• Acknowledgements
• References
• Chapter 2 Asymmetric Autocatalysis Initiated by Enantioenriched Chiral Organic Compounds: The Link Between Circularly Polarized Light and Nearly Enantiopure Organic Compounds
• 2.1 Introduction
• 2.2 Asymmetric Autocatalysis Initiated by Various Chiral Compounds
• 2.3 Chiral Discrimination of Cryptochiral Saturated Quaternary Hydrocarbons

• 2.4 Correlation Between Circularly Polarized Light and Highly Enantioenriched Organic Compounds Mediated by Asymmetric Autocatalysis
• 2.5 Conclusion
• Acknowledgements
• References
• Chapter 3 Asymmetric Autocatalysis Triggered by the Chirality of Minerals, Organic Crystals, and Surfaces
• 3.1 Crystal Chirality of Achiral Compounds
• 3.2 Chirality of Minerals and Inorganic Crystals as a Trigger for Asymmetric Autocatalysis
• 3.2.1 SiO2 Quartz
• 3.2.2 Sodium Chlorate and Bromate
• 3.2.3 Cinnabar HgS
• 3.2.4 Retgersite
• 3.3 Chirality of Organic Compounds

Asymmetric Autocatalysis provides a comprehensive introduction to the topic of autocatalysis and an in-depth review of the current state of the research.

• Front Matter
• New Catalysts and Activation Strategies in Asymmetric Organocatalysis. New Developments in Enantioselective Brønsted Acid Catalysis with Strong Hydrogen Bond Donors / Caroline Dorsch, Christoph Schneider
• Organosuperbases - Moving Beyond Classical Brønsted Base Catalysis / Azusa Kondoh, Masahiro Terada
• Asymmetric Phase-Transfer Catalysis - From Classical Applications to New Concepts / Jan Otevrel, Mario Waser
• Asymmetric Ion-Pairing and H-Bonding Catalysis / Esteban Matador, Rosario Fernández, José M Lassaletta, David Monge
• Isothiourea Catalysis - New Opportunities for Asymmetric Synthesis / Alastair J Nimmo, Claire M Young, Andrew D Smith
• Halogen-Bonding Organocatalysis - New Opportunities for Asymmetric Synthesis / Mikk Kaasik, Tõnis Kanger
• Merging Organocatalysis with Light - New Opportunities for Asymmetric Synthesis / José Alemán, Leyre Marzo, Jose A Fernández-Salas, Alberto Fraile
• Asymmetric Electrochemical Organocatalysis: New Opportunities for Synthesis / Yingdong Duan, Qifeng Lin, Sanzhong Luo
• Synergistic Organo-Organocatalysis / Fabio Pesciaioli, Valeria Nori, Arianna Sinibaldi, Armando Carlone
• Merging Organocatalysis with Metals - New Opportunities for Asymmetric Synthesis / Ramon Rios
• Immobilized Organocatalysts for Enantioselective Continuous Flow Processes / Carles Rodríguez-Escrich, Miquel A Pericàs
• Mechanochemistry and High-Pressure Techniques in Asymmetric Organocatalysis / Rafał Kowalczyk
• Organocatalytic Reactions Under Nontraditional Conditions / C Gabriela Ávila-Ortiz, Alberto Vega-Peñaloza, Eusebio Juaristi
• New Organocatalytic Synthetic Methodologies. Merging Organocatalysis with Vinylogy - New Opportunities for Asymmetric Synthesis / Claudio Curti, Andrea Sartori, Lucia Battistini, Franca Zanardi
• Organocatalytic Umpolung Strategies: Beyond Classical Reactivity Patterns / Sayan Shee, Arghya Ghosh, Akkattu T Biju
• Dearomative Organocatalytic Strategies / Xue Song, Zhi-Chao Chen, Wei Du, Ying-Chun Chen
• From Organocatalytic Cycloadditions to Asymmetric Higher-Order Cycloadditions / Karl Anker Jørgensen, K N Houk
• Asymmetric Organocatalysis - From a Process Development Perspective / Hao Jiang, Björn Gschwend, Yang Li
• Mechanisms of Organocatalytic Reactions. Computational Studies - A Useful Tool in Elucidation of Mechanisms of Organocatalytic Reactions / Simarpreet Singh, Jorge Dourado, Rebecca L Davis
• A Tutorial on Kinetic-Assisted Mechanistic Analysis in Asymmetric Aminocatalysis / Jordi Burés, Alan Armstrong, Donna G Blackmond
• Mayr Linear Free Energy Relationship: A Powerful Tool for Understanding Aminocatalyzed Reactions / Sami Lakhdar.

Chemical Reactivity in Quantum Mechanics and Information Theory introduces a thermodynamic-like description of molecular systems and provides an objective treatment of their fragments. The book formulates adequate entropic tools for probing in chemical terms and the electronic structure of molecules and rationalizing reactivity principles. It covers the information origins of chemical bonds, covalent/ionic composition, trends in molecular stability and reactivity, equilibrium polarizations and charge-transfer reconstructions of reactive complexes, as well as the phase/current promotions of molecular substrates. In addition, the book introduces a precise descriptor of molecular fragments and clarifies mostly intuitive semantics of several chemical concepts. Readers will find a precise and unbiased description of chemical reactivity phenomena in Donor-Acceptor systems in terms of quantum states and generalized concepts of Information/Communication theories.

• List of Contributors xiii Preface xvii Introduction and Brief Summary of the LIBS Development 1 Part I Introduction to LIBS 5
• 1 LIBS Fundamentals 7 Mohamad Sabsabi 1.1 Interaction of Laser Beam with Matter 8 1.2 Basics of Laser-Matter Interaction 9 1.3 Processes in Laser-Produced Plasma 10 1.4 Factors Affecting Laser Ablation and Laser-Induced Plasma Formation 11 1.4.1 Influence of Laser Parameters on the Laser-Induced Plasmas 11 1.4.2 Laser Wavelength ( ) 12 1.4.3 Laser Pulse Duration ( ) 12 1.4.4 Laser Energy (E) 13 1.4.5 Influence of Ambient Gas 13 1.5 Plasma Properties and Plasma Emission Spectra 14 References 15
• 2 LIBS Instrumentations 19 Mohamad Sabsabi and Vincenzo Palleschi 2.1 Basics of LIBS instrumentations 19 2.2 Lasers in LIBS Systems 20 2.3 Desirable Requirements for Atomic Emission Spectrometers/Detectors 22 2.4 Spectrometers 23 2.4.1 Czerny-Turner Optical Configuration 23 2.4.2 Paschen-Runge Design 24 2.4.3 Echelle Spectrometer Configuration 25 2.5 Detectors 26 2.5.1 Photomultiplier Detectors 26 2.5.2 Solid-State Detectors 27 2.5.3 The Interline CCD Detectors 27 2.5.3.1 The Image Intensifier 28 References 29
• 3 Applications of LIBS 31 Vincenzo Palleschi and Mohamad Sabsabi 3.1 Industrial Applications 31 3.1.1 Metal Industry 31 3.1.2 Energy Production 34 3.2 Biomedical Applications 34 3.3 Geological and Environmental Applications 36 3.4 Cultural Heritage and Archaeology Applications 37 3.5 Other Applications 37 References 38 Part II Simplications of LIBS Information 45
• 4 LIBS Spectral Treatment 47 Sabrina Messaoud Aberkane, Noureddine Melikechi and Kenza Yahiaoui 4.1 Introduction 47 4.2 Baseline Correction 47 4.2.1 Polynomial Algorithm 48 4.2.2 Model-free Algorithm 49 4.2.3 Wavelet Transform Model 52 4.3 Noise Filtering 55 4.3.1 Wavelet Threshold De-noising (WTD) 55 4.3.2 Baseline Correction and Noise Filtering 59 4.4 Overlapping Peak Resolution 60 4.4.1 Curve Fitting Method 61 4.4.2 The Wavelet Transform 64 4.5 Features Selection 66 4.5.1 Principal Component Analysis 68 4.5.2 Genetic Algorithm (GA) 68 4.5.3 Wavelet Transformation (WT) 68 References 71
• 5 Principal Component Analysis 81 Mohamed Abdel-Harith and Zienab Abdel-Salam 5.1 Introduction 81 5.1.1 Laser-Induced Breakdown Spectroscopy (LIBS) 81 5.2 The Principal Component Analysis (PCA) 82 5.3 PCA in Some LIBS Applications 83 5.3.1 Geochemical Applications 83 5.3.2 Food and Feed Applications 85 5.3.3 Microbiological Applications 88 5.3.4 Forensic Applications 91 5.4 Conclusion 94 References 94
• 6 Time-Dependent Spectral Analysis 97 Fausto Bredice, Ivan Urbina, and Vincenzo Palleschi 6.1 Introduction 97 6.2 Time-Dependent LIBS Spectral Analysis 98 6.2.1 Independent Component Analysis 98 6.2.2 3D Boltzmann Plot 102 6.2.2.1 Principles of the Method 103 6.3 Applications 109 6.3.1 3D Boltzmann Plot Coupled with Independent Component Analysis 109 6.3.2 Analysis of a Carbon Plasma by 3D Boltzmann Plot Method 109 6.3.3 Assessment of the LTE Condition Through the 3D Boltzmann Plot Method 114 6.3.4 Evaluation of Self-Absorption 114 6.3.5 Determination of Transition Probabilities 118 6.3.6 3D Boltzmann Plot and Calibration-free Laser-induced Breakdown Spectroscopy 121 6.4 Conclusion 123 References 123 Part III Classification by LIBS 127
• 7 Distance-based Method 129 Hua Li and Tianlong Zhang 7.1 Cluster Analysis 132 7.1.1 Introduction 132 7.1.2 Theory 133 7.1.2.1 K-means Clustering 133 7.1.2.2 Hierarchical Clustering 134 7.1.3 Application 135 7.2 Independent Components Analysis 138 7.2.1 Introduction 138 7.2.2 Theory 138 7.2.3 Application 140 7.3 K-Nearest Neighbor 143 7.3.1 Introduction 143 7.3.2 Theory 143 7.3.3 Application 145 7.4 Linear Discriminant Analysis 145 7.4.1 Introduction 145 7.4.2 Theory 148 7.4.2.1 The Calculation Process of LDA (Two Categories) 148 7.4.3 Application 151 7.5 Partial Least Squares Discriminant Analysis 153 7.5.1 Introduction 153 7.5.2 Theory 155 7.5.3 Application 157 7.6 Principal Component Analysis 161 7.6.1 Introduction 161 7.6.2 Theory 164 7.6.3 Application 166 7.7 Soft Independent Modeling of Class Analogy 174 7.7.1 Introduction 174 7.7.2 Theory 175 7.7.3 Application 177 7.8 Conclusion and Expectation 180 References 181
• 8 Blind Source Separation in LIBS 189 Anna Tonazzini, Emanuele Salerno, and Stefano Pagnotta 8.1 Introduction 189 8.2 Data Model 193 8.3 Analyzing LIBS Data via Blind Source Separation 193 8.3.1 Second-order BSS 193 8.3.2 Maximum Noise Fraction 194 8.3.3 Independent Component Analysis 196 8.3.4 ICA for Noisy Data 197 8.4 Numerical Examples 197 8.5 Final Remarks 206 References 207
• 9 Artificial Neural Networks for Classification 213 Jakub Vrabel, Erik Kepes, Pavel Porizka, and Jozef Kaiser 9.1 Introduction and Scope 213 9.2 Artificial Neural Networks (ANNs) 214 9.3 Cost Functions and Training 216 9.4 Backpropagation 219 9.5 Convolutional Neural Networks 221 9.6 Evaluation and Tuning of ANNs 224 9.7 Regularization 227 9.8 State-of-the-art LIBS Classification Using ANNs 229 9.9 Summary 233 Acknowledgments 234 References 234
• 10 Data Fusion: LIBS + Raman 241 Beatrice Campanella and Stefano Legnaioli 10.1 Introduction 241 10.2 Data Fusion Background 242 10.3 Data Treatment 244 10.4 Working with Images 245 10.4.1 Vectors Concatenation 246 10.4.2 Vectors Co-addition 246 10.4.3 Vectors Outer Sum 246 10.4.4 Vectors Outer Product 247 10.4.5 Data Analysis 247 10.5 Applications 248 10.6 Conclusion 253 References 253 Part IV Quantitative Analysis 257
• 11 Univariate Linear Methods 259 Stefano Legnaioli, Asia Botto, Beatrice Campanella, Francesco Poggialini, Simona Raneri, and Vincenzo Palleschi 11.1 Standards 259 11.2 Matrix Effect 260 11.3 Normalization 261 11.4 Linear vs. Nonlinear Calibration Curves 264 11.5 Figures of Merit of a Calibration Curve 267 11.5.1 Coefficient of Determination 270 11.5.2 Root Mean Squared Error of Calibration 270 11.5.3 Limit of Detection 270 11.6 Inverse Calibration 273 11.7 Conclusion 274 References 274
• 12 Partial Least Squares 277 Zongyu Hou, Weiran Song, and Zhe Wang 12.1 Overview 277 12.2 Partial Least Squares Regression Algorithms 278 12.2.1 Nonlinear Iterative PLS 278 12.2.2 SIMPLS Algorithm 279 12.2.3 Kernel Partial Least Squares 279 12.2.4 Locally Weighted Partial Least Squares 280 12.2.5 Dominant Factor-based Partial Least Squares 281 12.3 Partial Least Squares Discriminant Analysis 282 12.4 Results of Partial Least Squares in LIBS 283 12.4.1 Coal Analysis 283 12.4.2 Metal Analysis 285 12.4.3 Rocks, Soils, and Minerals Analysis 285 12.4.4 Organics Analysis 291 12.5 Conclusion 291 References 295
• 13 Nonlinear Methods 303 Francesco Poggialini, Asia Botto, Beatrice Campanella, Stefano Legnaioli, Simona Raneri, and Vincenzo Palleschi 13.1 Introduction 303 13.2 Multivariate Nonlinear Algorithms 304 13.2.1 Artificial Neural Networks 304 13.2.1.1 Conventional Artificial Neural Networks 304 13.2.1.2 Convolutional Neural Networks 310 13.2.2 Other Nonlinear Multivariate Approaches 312 13.2.2.1 The Franzini-Leoni Method 312 13.2.2.2 The Kalman Filter Approach 313 13.2.2.3 Calibration-Free Methods 314 13.3 Conclusion 315 References 316
• 14 Laser Ablation-based Techniques - Data Fusion 321 Jhanis Gonzalez 14.1 Introduction 321 14.2 Data Fusion of Multiple Analytical Techniques 322 14.2.1 Low-level Fusion 322 14.2.2 Mid-level Fusion 323 14.2.3 High-level Fusion 324 14.3 Data Fusion of Laser Ablation-Based Techniques 324 14.3.1 Introduction 324 14.3.2 Classification of Edible Salts 326 14.3.2.1 LIBS and LA-ICP-MS Measurements of the Salt Samples 327 14.3.2.2 Mid-Level Data Fusion of LIBS and LA-ICP-MS of Salt Samples 327 14.3.2.3 PLS-DA Classification Model for Salt Samples 333 14.3.3 Coal Discrimination Analysis 334 14.3.3.1 LIBS and LA-ICP-TOF-MS Measurements of the Coal Samples 335 14.3.3.2 Mid-Level Data Fusion of LIBS and LA-ICP-TOF-MS of Coal Samples 335 14.3.3.3 PCA Combined with K-means Cluster Analysis for Coal Samples 338 14.3.3.4 PLS-DA and SVM for Coal Samples Analysis 340 14.4 Comments and Future Developments 341 Acknowledgments 343 References 343 Part V Conclusions 347
• 15 Conclusion 349 Vincenzo Palleschi Index 351.
• (source: Nielsen Book Data)

Chemometrics and Numerical Methods in LIBS A practical guide to the application of chemometric methods to solve qualitative and quantitative problems in LIBS analyses Chemometrics and Numerical Methods in LIBS, delivers an authoritative and practical exploration of the use of advanced chemometric methods to laser-induced breakdown spectroscopy (LIBS) cases. The book discusses the fundamentals of chemometrics before moving on to solutions that can be applied to data analysis methods. It is a concise guide designed to help readers at all levels of knowledge solve commonly encountered problems in the field. The book includes three sections: LIBS information simplification, LIBS classification, and quantitative analysis by LIBS. Each section of the book is divided into a description of relevant techniques and practical examples of its applications. Contributors to this edited volume are the most recognized international experts on the chemometric techniques relevant to LIBS analysis. Chemometrics and Numerical Methods in LIBS also includes: A thorough introduction to the simplification of LIBS information, including principal component analysis, independent component analysis, and parallel factor analysis Comprehensive explorations of classification by LIBS, including spectral angle mapping, linear discriminant analysis, graph clustering, self-organizing maps, and artifical neural networks Practical discussions of linear methods for quantitative analysis by LIBS, including calibration curves, partial least squares regression, and limit of detection In-depth examinations of multivariate analysis and non-linear methods, including calibration-free LIBS, the non-linear Kalman filter, artificial and convolutional neural networks for quantification Relevant for researchers and PhD students seeking practical information on the application of advanced statistical methods to the analysis of LIBS spectra, Chemometrics and Numerical Methods in LIBS will also earn a place in the libraries of students taking courses involving LIBS spectro-analytical techniques.
(source: Nielsen Book Data)

• About the Authors ix Preface xi
• 1 Levulinic Acid - History, Properties, Global Market, Direct Uses, Safety 1 1.1 History and Properties 1 1.2 Global Market 8 1.3 Direct Uses 10 1.4 Toxicity of Levulinic Acid and Inorganic Levulinates 12 1.5 Concluding Remarks 13 References 15
• 2 Production and Technological Routes 19 2.1 Production and Technological Routes from Biomass 19 2.2 Pretreatment of Lignocellulosic Biomass 23 2.2.1 Physical Pretreatment 23 2.2.1.1 Mechanical 24 2.2.1.2 Microwave 25 2.2.1.3 Ultrasound 25 2.2.2 Chemical Pretreatment 25 2.2.2.1 Acid Hydrolysis 25 2.2.2.2 Alkaline Hydrolysis 26 2.2.2.3 Ionic Liquids 27 2.2.2.4 Organosolv 27 2.2.3 Physicochemical Pretreatment 28 2.2.3.1 Steam Explosion (SE) 29 2.2.3.2 Liquid Hot Water (LHW) 29 2.2.3.3 Ammonia Fiber Expansion (AFEX) 30 2.2.3.4 Supercritical CO 2 Explosion 30 2.2.4 Biological Pretreatment 31 2.3 Production of Levulinic Acid from Lignocellulosic Biomass 32 2.3.1 Processes for LA Production: Homogeneous Catalysts 35 2.3.2 Processes for LA Production: Heterogeneous Catalysts 38 2.3.3 Processes for LA Production: Biphasic Systems 40 2.3.4 The Biofine Process of LA Production 41 2.3.5 Downstream Process of LA Recovery 42 2.4 Commercial Plants for the Production of LA 44 2.5 Conclusion 47 References 47
• 3 Levulinate Derivatives - Main Production Routes and Uses of Organic and Inorganic Levulinates Derivatives 65 3.1 Main Production Routes 65 3.1.1 Esterification of Levulinic Acid 65 3.1.2 Direct Production from the Alcoholysis of Polyschacarides 71 3.1.3 Alcoholysis of Furfural 76 3.1.4 Alcoholysis of 5-Hydroxymethyl Furfural 82 3.1.5 Production of Levulinate Inorganic Salts 86 3.2 Importance and Market of the Levulinate Derivatives 87 3.3 Uses of Organic Levulinate Derivatives 88 3.3.1 Food and Cosmetic 88 3.3.2 Fuel Additives 89 3.3.3 Plasticizers 90 3.3.4 Solvents 91 3.4 Uses of Inorganic Levulinate Derivatives 93 3.4.1 Antifreeze Additive 93 3.4.2 Cosmetic, Pharmaceutical, and Food 93 3.4.3 Miscellaneous Applications 94 3.5 Conclusion 95 References 96
• 4 Levulinic Acid Hydrogenation 107 4.1 Levulinic Acid Hydrogenation Products 107 4.1.1 -Valerolactone (GVL) 107 4.1.1.1 GVL Versus Ethanol 111 4.1.1.2 2-Methyl-tetrahydrofuran (2-MTHF) 111 4.1.1.3 1,4-Pentanediol (1,4-PDO) 112 4.1.1.4 Alkyl Valerates 113 4.2 Performance of GVL as Fuel Additive 113 4.3 Levulinic Acid to -Valerolactone 114 4.3.1 Conversion of GVL into 1,4-PDO and 2-MTHF 115 4.3.2 GVL to Butenes and Hydrocarbons 117 4.4 Homogeneous and Heterogeneous Catalysts for the Efficient Conversion of LA to GVL 121 4.4.1 Precious Metal Catalysts 121 4.4.2 Nonprecious Metal Catalyst 125 4.4.2.1 Copper-Based Catalysts 125 4.4.2.2 Nickel-Based Catalysts 127 4.4.2.3 Zirconium-Based Catalysts 130 4.4.2.4 Iron-Based Catalysts 130 4.5 Heterogeneous Catalysts for the Conversion of LA and GVL to 1,4-PDO and 2-MTHF 132 4.6 Types of Hydrogenating Agents 135 4.7 Patent Search of LA Hydrogenation 137 4.8 Conclusion 138 References 138
• 5 Carbonyl Reactions of Levulinic Acid - Ketals and Other Derivatives Formed Upon Reaction with the Carbonyl Group of Levulinic Acid. Production Routes, Technologies, and Main Uses 149 5.1 Levulinc Acid Ester Ketals Main Routes 150 5.1.1 Levulinic Acid Ester Ketals Main Uses 153 5.2 Succinic Acid 158 5.2.1 Petrochemical and Biotechnological Routes 158 5.2.2 Levulinic to Succinic Acid 163 5.2.3 Succinic Acid Main Uses 164 5.3 -Aminolevulinic Acid (DALA) Main Routes 167 5.3.1 -Aminolevulinic Acid Main Uses 169 5.4 5-Methyl-N-Alkyl-2-Pyrrolidone Main Routes 171 5.4.1 5-Methyl-N-Alkyl-2-Pyrrolidone Main Uses 177 5.5 Diphenolic Acid Main Routes 179 5.5.1 Diphenolic Levulinic Acid Main Uses 181 5.6 Conclusion 185 References 185
• 6 Levulinic Acid in the Context of a Biorefinery 197 6.1 Biorefinery 197 6.2 Sugar-Based Biorefinery 198 6.3 Levulinc Acid and Levulinates from a Sugar Cane Biorefinery 200 6.4 Production of -Valerolactone in a Sugar Cane Biorefinery 201 6.5 LA in the Context of a Biodiesel Plant 204 6.6 Conclusions 206 References 207 Index 209.
• (source: Nielsen Book Data)

An essential overview of this renewable platform chemical with growing commercial applications Use of fossil fuels and their derivatives has been one of the major drivers of climate change. This ongoing crisis has driven a global search for biofuels and biomass-derived chemicals which can serve as the basis for sustainable and renewable industry. One such 'platform molecule' is Levulinic acid, whose derivatives are increasingly replacing traditional fossil-derived chemicals. The importance of Levulinic acid for renewable industry is therefore only growing. Levulinic Acid: A Sustainable Platform for Value-Added Products provides a book-length introduction to this chemical and its derivatives, like the levulinates, which applications include fuel additives, food and cosmetic preservatives, flavors, solvents, and more. The book surveys the production routes and necessary technologies involved in the production of levulinic acid, as well as its current and potential applications and typical chemical reactions. It provides a critical introduction a potentially rich source of alternative industrial material. Levulinic Acid readers will also find: Production routes from different biomass materials Treatment of both organic and inorganic levulinates Extensive discussion of levulinic acid hydrogenation Other derivatives formed upon reaction at the keto-functionality Levulinic Acid is the first ever book on this subject, ideal for researchers and industry professionals in green chemistry and sustainable/renewable production, as well as regulators and policymakers with a focus on the relevant industries.
(source: Nielsen Book Data)

• An introduction to phase transitions and universality
• Universal critical behavior from theory and simulations
• Background on experimental techniques
• Critical behavior experiments on anisotropic and isotropic antiferomagnets
• Domains, excitations, and spin-glass-like behaviors
• Experiments on pure magnets with frustration
• The unusual magnetism of LaCoO3; a thermally excited exchange interaction and ordering at twin interfaces
• Conclusions and outstanding questions

Magnetic crystals are ideal systems to study the universal properties of phase transitions, particularly systems with quenched randomness and frustration. Pure systems with different symmetries provide the foundation for studies in corresponding systems with quenched randomness. Because phenomena near phase transitions have universal properties, results from bulk magnetic crystals provide a basis for understanding phase transitions in films and nanoparticles, as well as many non-magnetic materials.This motivates the subject of this book, which discusses phase transitions studies in magnetic crystals from the perspective of an experimentalist who has done extensive work in the field. The advantage is that many experimental techniques are described in sufficient detail for a good understanding of the results and their comparison to theory.
(source: Nielsen Book Data)

• Chapter 1 Photocatalytic and Adsorptive Removal of Textile Industrial Waste with Carbon-based Nanomaterials
• Abstract
• 1.1 Introduction
• 1.2 Carbon-Based Photocatalysts
• 1.3 Binary and Ternary Carbon-based photocatalysts
• 1.3.1 Graphite
• 1.3.2 GO
• 1.3.3 rGO
• 1.3.4 CNT
• 1.3.5 Other Promising Carbon Materials
• 1.4 Application of Carbon-based Materials in Wastewater Treatment
• 1.5 Performances and Mechanisms of Catalytic Materials
• 1.6 Conclusion and Prospective Application
• 1.7 References
• Chapter 2 Syntheses and Applications of Nanomaterial-Based Photocatalytic Air Purifier
• Abstract
• 2.1 Introduction
• 2.2 Properties of Purified Air
• 2.3 The Synthesis of Mixed-Phase Nanomaterials Photocatalysts
• 2.3.1 Hydrothermal and Solvothermal Methods
• 2.3.2 Sol-Gel Method
• 2.3.3 Solvent Mixing and Calcination Method
• 2.3.4 Physical Deposition
• 2.4 The Modifications of Substrate
• 2.4.1 TiO2- Alkaline earth metals
• 2.4.2 TiO2- Transition Metals
• 2.4.3 TiO2-Inorganic Compound
• 2.4.4 TiO2-Metal Oxide
• 2.4.5 TiO2- Reactive nonmetals
• 2.5 Photocatalytic Gas Reduction
• 2.6 Conclusion and Outlook
• 2.7 References
• Chapter 3 A Recent Review on Photocatalytic CO2 Reduction in Generating Sustainable Carbon-Based Fuels
• Abstract
• 3.1 Introduction
• 3.2 Fundamentals and Mechanisms of Photocatalytic CO2 Reduction
• 3.2.1 Thermodynamics of Photocatalytic CO2 Reduction
• 3.2.2 Process of Photocatalytic CO2 Reduction
• 3.2.3 Mechanisms and Kinetics of Photocatalytic CO2 Reduction
• 3.3 Experimental Preparation and Setup
• 3.4 Photocatalyst Types, Selection and Preparation
• 3.4.1 Binary Metal System Photocatalysts
• 3.4.2 Ternary Metal System Photocatalysts
• 3.4.3 Quaternary Metal System Photocatalysts
• 3.5 Important Parameters
• 3.6 Product Characterization and Analysis
• 3.7 Product Selectivity
• 3.8 Challenges and Opportunities
• 3.9 Conclusion
• 3.10 Reference
• Chapter 4 Photocatalysts Heterojunction Bismuth-Based and with Halides BiOBrxI1-X Nitrogen Fixation: Fundamentals, Latest Advances, and Future Perspectives
• Abstract
• 4.1 Introduction
• 4.2 Photocatalytic Nitrogen Fixation Process.
• 4.2.1 Properties of Nitrogen Molecules
• 4.2.2 Photocatalytic Fixation of Nitrogen to Ammonia
• 4.3 Related Research Works
• 4.3.1 Nitrogen Fixation with Different Catalytic Materials
• 4.3.2 Reaction Mechanism and Yield of NH3
• 4.4 Application of Hetero-structured Photocatalysts in Artificial Nitrogen Fixation
• 4.4.1 Principles of Heterojunction Photocatalysts
• 4.4.2 Conventional Heterojunction Photocatalytic Systems
• 4.4.3 p-n Heterojunction Photocatalytic System
• 4.4.4 Z-Scheme Photocatalytic Systems
• 4.5 Conventional Heterojunction Photocatalytic System
• 4.5.1. Type-I Heterojunction.
• 4.5.2. Type-II Heterojunction.
• 4.5.3. Z-Scheme Heterojunction Photocatalytic System
• 4.6 Existing Challenges, Opportunities, and Future Prospects.
• Chapter 5 Semiconductor-Based Photocatalytic Oxygen Evolution from Water Splitting: Light- Driven Energy Conversion and Storage
• Abstract
• 5.1 Introduction
• 5.1.1. Water Splitting for Energy Conversion and Storage
• 5.1.2. Fundamental Processes in Photocatalytic Overall Water Splitting
• 5.1.3. Semiconductors for Water Splitting
• 5.2. Climate Change and the Need for Renewable Energy
• 5.2.1 The Potential of Solar Energy
• 5.2.3 Harnessing Solar Energy
• 5.2.1 Storing Solar Energy
• 5.3 Photocatalysts for Oxygen Evolution
• 5.3.1. TiO2
• 5.3.2. BiVO4
• 5.3.3. WO3
• 5.3.4. Fe2O3
• 5.4. Strategies for Enhancing Photocatalytic Oxygen Evolution
• 5.4.1. Cocatalysts Loading
• 5.4.2. Heterojunction Construction
• 5.4.3. Doping and Vacancy Formation
• 5.5 Photogenerated Charge Separation and Charge Recombination
• 5.5.1 Strategies for Enhancing the Efficiency of Charge Separation
• 5.5.2 Improving Light Absorption
• 5.5.2 UV Light Photocatalysts
• 5.5.3 Visible Light Photocatalysts
• 5.5.4 Improving Efficiency
• 5.6
• Challenges, and Future Perspectives
• 5.7
• References
• Chapter 6 General outlooks and prospectives
• Index
• .
• (source: Nielsen Book Data)

This book highlights sustainable methods with photocatalytic activities to remediate environment and for energy conversion. The related photocatalytic materials are discussed in detail. Some significant photocatalytic applications in degrading industrial pollutants that include different organic dyes, purifying the polluted air, converting CO2 to alcohol fuels, storing energy from sunlight as ammonia by converting N2 to NH3, and splitting water by optimizing the oxygen evolution process are thoroughly elucidated. The chapters introduce the necessary materials and results, leading to a better conceptualization in order to work in the field of photocatalysis. Some related perspectives and outlooks are discussed in the last chapter for possible future developments.
(source: Nielsen Book Data)