This book provides a description of material characterization and mechanisms of secondary batteries during discharge, cycle, and storage process. It also proposes a new intercalation/de-intercalation theory and presents the mechanism of ionic conduction. In addition, through the comparative study of variation laws of battery performance and of fine structure and microstructure parameters, the mechanism of cycle and storage processes and battery performance decay are investigated. Given its scope, the book appeals to a broad readership, particularly professionals at universities and scientific research institutes.

The Boundary Theory of Phase Diagrams and Its Application -- Rules for Phase Diagram Construction with Phase Regions and Their Boundaries presents a novel theory of phase diagrams. Thoroughly revised on the basis of the Chinese edition and rigorously reviewed, this book inspects the general feature and structure of phase diagrams, and reveals that there exist actually two categories of boundaries. This innovative boundary theory has solved many difficulties in understanding phase diagrams, and also finds its application in constructing multi-component phase diagrams or in calculating high-pressure phase diagrams. Researchers and engineers as well as graduate students in the areas of chemistry, metallurgy and materials science will benefit from this book. Prof. Muyu Zhao was the recipient of the 1998 Prize for Progress in Science and Technology (for his work on the boundary theory of phase diagrams) awarded by the National Commission of Education, China, and many other prizes.

3 (p1): Part One The Phase Rule,Its Deduction and Application 3 (p2): Chapter 1 The Phase Rule,Its Deduction and Application 3 (p3): 1.1 Why do We Discuss the Phase Rule at First 4 (p4): 1.2 Different Methods for Deducing the Phase Rule:The Method of Gibbs Himself,Gibbs-Roozeboom's Method and the Method of Gibbs Free Energy Minimization 14 (p5): 1.3 Determination of the Number of Independent Components by Brink-ley's Method 25 (p6): 1.4 Some Remarks on the Application of the Phase Rule 28 (p7): References-1 28 (p8): Summary of Part One 31 (p9): Part Two The Boundary Theory of Isobaric Phase Diagrams and Its Application 31 (p10): Chapter 2 The Boundary Theory of Isobaric Phase Diagrams—Rules for Phase Diagram Construction 31 (p11): 2.1 Introduction 32 (p12): 2.2 Several Basic Concepts for Underlying the Phase Diagram 38 (p13): 2.3 The Theorem of the Corresponding Relationship between the Total Nu-mber of All the Different Phases in NPRs Ф and the Dimensions of the Phase Boundary R1 in Phase Diagrams,and Its Theoretical Deduction 41 (p14): 2.4 The Theorem of the Corresponding Relationship(TCR)is an Indepen-dent Theorem,Not a Variant of the Phase Rule 44 (p15): 2.5 Corollaries of TCR for Isobaric Phase Diagrams 48 (p16): 2.6 The Relationship between the Dimensions of the Phase Boundary R1 and the Dimensions of the Boundary Rí for Isobaric Multiconponent Phase Diagrams 4858 (p17): 2.7 The Summary of the Boundary Theory of Isobaric Phase Diagrams 59 (p18): References-2 61 (p19): Chapter 3 Application of the Boundary Theory to Unary,Binary and Ternary Phase Diagrams 61 (p20): Comparison of the Boundary Theory Application and Palatnik-Landau's Contact Rule of Phase Regions 61 (p21): 3.1 Determination of Phase Assemblages of NPRs and the Characteristics of Their Boundaries by the Boundary Theory 63 (p22): 3.2 Application of the Boundary Theory to Unary Phase Diagrams 64 (p23): 3.3...

These books, with of a total of 40 chapters, are a comprehensive and complete introductory text on the synthesis, characterization, and applications of nanomaterials. They are aimed at graduate students and researchers whose background is chemistry, physics, materials science, chemical engineering, electrical engineering, and biomedical science. The first part emphasizes the chemical and physical approaches used for synthesis of nanomaterials. The second part emphasizes the techniques used for characterizing the structure and properties of nanomaterials, aiming at describing the physical mechanism, data interpretation, and detailed applications of the techniques. The final part focuses on systems of different nanostructural materials with novel properties and applications.

Nanostructured materials with designed biofunctions have brought significant changes in materials science. This book examines different methods for synthesizing new types of such materials and discusses their cutting-edge technological applications.

The second part emphasizes the techniques used for characterizing the structure and properties of nanomaterials, aiming at describing the physical mechanism, data interpretation, and detailed applications of the techniques. 本书内容强调纳米材料的合成, 详细介绍了常用的化学和物理纳米合成方法的原理和基本程序, 并介绍了各种方法的最新进展和参考文献

The second part emphasizes the techniques used for characterizing the structure and properties of nanomaterials, aiming at describing the physical mechanism, data interpretation, and detailed applications of the techniques. 纳米相和纳米结构材料是纳米科学和纳米技术的基础, 本书集中介绍和阐述了半导体纳米颗粒, 半导体纳米线, 磁性纳米晶体及其排列, 纳米结构的软磁性材料, 用于信息存储等纳米材料的应用

1 (p1): 1 Clusters1 (p1-2): 1.1 Introduction5 (p1-3): 1.2 Cluster Syntheses and Characterizations6 (p1-4): 1.2.1 Sputtering/SIMS7 (p1-5): 1.2.2 Supersonic Jet/Gas Condensation9 (p1-6): 1.2.3 Laser Ablation and Vaporization11 (p1-7): 1.2.4 Mass Spectrometers16 (p1-8): 1.3 Stability and Magic Numbers17 (p1-9): 1.3.1 Position Ordering and Momentum Ordering18 (p1-10): 1.3.2 Inert Element Clusters——Mackay lcosahedron22 (p1-11): 1.3.3 Alkali Halide Clusters24 (p1-12): 1.3.4 Semiconductor Clusters29 (p1-13): 1.3.5 Metal Clusters34 (p1-14): 1.4 Physical Properties34 (p1-15): 1.4.1 Size Effect of Electronic Properties41 (p1-16): 1.4.2 Lattice Dynamics and Phase Change53 (p1-17): 1.4.3 Optical Properties58 (p1-18): 1.4.4 Magnetism67 (p1-19): 1.4.5 Electronic Conductance75 (p1-20): 1.5 Perspectives76 (p1-21): References85 (p1-22): 2.1 Introduction85 (p2): 2 Semiconductor Nanoparticles86 (p2-2): 2.2 Synthesis of Semiconductor Nanoparticles89 (p2-3): 2.3 Characterization89 (p2-4): 2.3.1 Spectroscopy90 (p2-5): 2.3.2 Microscopy91 (p2-6): 2.3.3 X-ray Techniques92 (p2-7): 2.4 Theory92 (p2-8): 2.4.1 Quantum Size Confinement96 (p2-9): 2.4.2 Ionization Potential and Coulomb Blockade97 (p2-10): 2.5 Surface Modification97 (p2-11): 2.5.1 Influence of Surface and Surface Modification99 (p2-12): 2.5.2 Core/Shell and Coupled Semiconductor Nanoparticles101 (p2-13): 2.6 Phase Transitions104 (p2-14): 2.7 Nanocrystal Superlattices/Self-Assembly106 (p2-15): 2.8 Applications108 (p2-16): 2.9 Concluding Remarks109 (p2-17): References121 (p3): 3 Electrochemical Self-Assembly of Ordered Quantum Dot and Wire Arrays121 (p3-2): 3.1 Introduction122 (p3-3): 3.2 Fabricating Quantum Dots:Self-Assembly124 (p3-4): 3.3 Electrochemical Self-Assembly124 (p3-5): 3.3.1 Self-Assembling a Mask for Qrdered Quantum Dot and Wire Arrays by Electropolishing Aluminum130 (p3-6): 3.3.2 Theory of Pattern Formation during Electropolishing134 (p3-7): 3.4 Quantum Dots Produced by...

The second part emphasizes the techniques used for characterizing the structure and properties of nanomaterials, aiming at describing the physical mechanism, data interpretation, and detailed applications of the techniques. 纳米相和纳米结构材料是纳米科学和纳米技术的基础, 本书集中介绍和阐述了纳米材料在各个领域中的应用以及最新进展

1 (p1): 1 X-ray and Neutron Scattering1 (p1-2): 1.1 Introduction4 (p1-3): 1.2 X-ray and Neutron Diffraction14 (p1-4): 1.3 Inelastic Neutron Scattering21 (p1-5): 1.4 Small Angle Scattering24 (p1-6): 1.5 Concluding Remarks25 (p1-7): References29 (p2): 2 Transmission Electron Microscopy and Spectroscopy29 (p2-2): 2.1 Major Components of a Transmission Electron Microscope31 (p2-3): 2.2 Atomic Resolution Lattice Imaging of Crystalline Specimens31 (p2-4): 2.2.1 Phase Contrast32 (p2-5): 2.2.2 Abbe’s Imaging Theory34 (p2-6): 2.2.3 Image Interpretation of Very Thin Samples34 (p2-7): 2.2.4 Image Simulation37 (p2-8): 2.3 Faceted Shapes of Nanocrystals37 (p2-9): 2.3.1 Polyhedral Shapes of Nanoparticles41 (p2-10): 2.3.2 Twinning Structure and Stacking Faults42 (p2-11): 2.3.3 Decahedral and lcosahedral Particles43 (p2-12): 2.3.4 Nucleation and Growth of Nanoparticles46 (p2-13): 2.4 Electron Holography48 (p2-14): 2.5 Lorentz Microscopy48 (p2-15): 2.5.1 Principle of Lorentz Microscopy49 (p2-16): 2.5.3 Fresnel Lorentz Microscopy49 (p2-17): 2.5.2 Elimination/Reduction of Magnetic Field from Objective Lens50 (p2-18): 2.5.4 Foucault Lorentz Microscopy51 (p2-19): 2.5.5 Differential Phase Contrast Mode of Lorentz Microscopy in STEM52 (p2-20): 2.6 Nanodiffraction53 (p2-21): 2.6.1 Optics for Nanodiffraction53 (p2-22): 2.6.2 Experimental Procedures to Obtain a Nanodiffraction Pattern54 (p2-23): 2.6.3 Some Applications61 (p2-24): 2.7 In situ TEM and Nanomeasurements62 (p2-25): 2.7.1 Thermodynamic Properties of Nanocrystals68 (p2-26): 2.7.2 Nanomeasurement of Electrical Transport in Quantum Wires70 (p2-27): 2.7.3 Nanomeasurement of Mechanical Properties of Fiber-Like Structures71 (p2-28): 2.7.4 Femtogram Nanobalance of a Single Fine Particle72 (p2-29): 2.7.5 Electron Field Emission from a Single Carbon Nanotube75 (p2-30): 2.8 Electron Energy Loss Spectroscopy of Nanoparticles75 (p2-31): 2.8.1 Valence Excitation Spectroscopy77 (p2-32): 2.8.2 Quantitative...

The properties of chemical, pharmaceutical, and biological compounds depend mainly on their molecular structure, whose determination is of fundamental interest. This book examines and systematizes more than three hundred striking structural determinations of free molecules. Featuring high-quality structural data and presenting modern techniques of their determinations by quantum chemistry, high-resolution spectroscopy and electron diffraction, the book is an indispensable resource for graduate students and professional scientists specializing in structural chemistry and other related fields.

This book explores the critical role of interfaces in lithium-ion batteries, focusing on the challenges and solutions for enhancing battery performance and safety. It sheds light on the formation and impact of interfaces between electrolytes and electrodes, revealing how side reactions can diminish battery capacity. The book examines the nanochemistry of these reactions, emphasizing their profound influence on overall battery properties. It highlights the urgent need for battery material scientists to develop new additives and chemistries to address these interface-related issues, which have significant industrial implications. After providing a fundamental understanding of Li-ion batteries, the book analyzes the evolution of the solid electrolyte interface (SEI) by considering various negative electrode materials such as graphite, silicon, lithium metal, and anode-less configurations. It also explores the chemistries of cathode materials, including their decomposition and methods to mitigate unwanted oxidation. Furthermore, the book discusses the growing interest in solid-state batteries as a future technology, focusing on the reactivity of polymeric and ceramic solid electrolytes with anodes and cathodes, which presents additional challenges at the interface level. Finally, it addresses the specific challenges associated with emerging chemistries like Li-S and Li-air batteries, providing insights into polysulfide formation and LiOH conversion.

This book comprehensively covers the fundamentals and latest advancements in the area of click chemistry. It discusses notable applications of click chemistry in various emerging areas ranging from chemical biology to catalysis and from medicinal chemistry to material sciences. Various topics covered in this book are catalysis in regioselectivity in click chemistry, organocatalysis in triazole synthesis, Bertozzi’s Bioorthogonal Concept, photo-triggered click chemistry, SuFFEx Click, Thiol-Ene Click, MCR Click, Intramolecular Click Chemistry, synthesis of diverse triazoles and their applications, Click's Post Functionalization, etc. The book is a valuable reference for beginners, researchers and professionals interested in sustainable click concept and its diverse applications in allied fields.

Polysaccharides offer unique and valuable functional properties, persisting in technological importance and poised to grow more critical due to sustainability demands and emerging applications in medical and life sciences. This contributed work presents comprehensive information about carbohydrate polymers, providing readers with an enhanced appreciation of carbohydrate structure and function, a new enzyme library, and extraction strategies that will help to advance a number of exciting domains of research, including genomics, proteomics, chemical synthesis, materials science, and engineering. Key Features: Details the source, production, structures, properties, and current and potential applications of polysaccharides. Discusses general strategies of isolation, separation, and characterization of polysaccharides. Describes botanical, algal, animal, and microbial sources of polysaccharides. Demonstrates the importance of carbohydrates in new lead generation. Highlights the range of possibilities for polysaccharides to make real-world impact.

This concise volume examines the characteristic electronic parameters of semiconductor interfaces, namely the barrier heights of metal–semiconductor or Schottky contacts and the valence-band discontinuities of semiconductor–semiconductor interfaces or heterostructures. Both are determined by the same concept, namely the wave-function tails of electron states overlapping a semiconductor band gap directly at the interface. These interface-induced gap states (IFIGS) result from the complex band structure of the corresponding semiconductor. The IFIGS are characterized by two parameters, namely by their branch point, at which their charge character changes from predominantly valence-band- to conduction-band-like, and secondly by the proportionality factor or slope parameter of the corresponding electric-dipole term, which varies in proportion to the difference in the electronegativities of the two solids forming the interface. This IFIGS-and-electronegativity concept consistently and quantitatively explains the experimentally observed barrier heights of Schottky contacts as well as the valence-band offsets of heterostructures. Insulators are treated as wide band-gap semiconductors.

In this thesis, attention was paid to several novel oxygenated fuels―carbonates, polyethers and ketones. Combustion kinetic investigations were performed for typical representative compounds, including dimethyl carbonate, diethyl carbonate, cyclopentanone, 3-pentanone, 1,2-dimethoxyethane and dimethoxymethane. For experiments, suitable diagnostic techniques were used to measure the detailed speciation information of the target fuels under different conditions. For kinetic modeling, rate coefficients for crucial elementary reactions were obtained through high-level theoretical calculations. Based on that, validated kinetic models with good predictive performances were developed. On the basis of experimental measurements and model interpretations, this work highlighted two important combustion characteristics regarding the practical use: the pollutant formation and the ignition performance. Besides, the correlation between oxygen-containing functional groups and the aforementioned combustion characteristics was revealed. To reveal the potential interactions between the reaction networks of oxygenated additives and the hydrocarbon base fuels during combustion. Chemical structures of laminar premixed flames fueled by binary fuels were measured, and by changing the initial fuel compositions, the addition effects of the oxygenates on the fuel consumption and pollutant formation behaviors were explored. It was found that complicated chemical interactions do not exist in the reaction networks under the investigated conditions.

This open access book reviews the recent research achievements of the investigation of interfacial phenomena in polymer/polymer and polymer/metal joint interfaces with the state-of-the-art analytical techniques not previously used in the field of adhesion and bonding. Adhesion performance is determined not only by the two-dimensional interfaces but also by a three-dimensional (3D) region having different properties and structural characteristics that extends into the bulk materials. In this book, the authors also discuss in detail the bonding mechanism by characterizing such 3D regions called “interphase”. The book is of great interest to researchers and engineers devoted to adhesion science and technology. Videos via app: download the SN More Media app for free, scan an image or a link with play button, and access videos directly on your smartphone or tablet.

This book explores the critical role of interfaces in lithium-ion batteries, focusing on the challenges and solutions for enhancing battery performance and safety. It sheds light on the formation and impact of interfaces between electrolytes and electrodes, revealing how side reactions can diminish battery capacity. The book examines the nanochemistry of these reactions, emphasizing their profound influence on overall battery properties. It highlights the urgent need for battery material scientists to develop new additives and chemistries to address these interface-related issues, which have significant industrial implications. After providing a fundamental understanding of Li-ion batteries, the book analyzes the evolution of the solid electrolyte interface (SEI) by considering various negative electrode materials such as graphite, silicon, lithium metal, and anode-less configurations. It also explores the chemistries of cathode materials, including their decomposition and methods to mitigate unwanted oxidation. Furthermore, the book discusses the growing interest in solid-state batteries as a future technology, focusing on the reactivity of polymeric and ceramic solid electrolytes with anodes and cathodes, which presents additional challenges at the interface level. Finally, it addresses the specific challenges associated with emerging chemistries like Li-S and Li-air batteries, providing insights into polysulfide formation and LiOH conversion.

This textbook provides a unique instructional resource in experimental Physical Chemistry with case studies based on data taken from the scientific literature. Platform-independent software that generates individualized data sets for student practice and assessment is included. Case Studies in the Virtual Physical Laboratory can be used to • Create online virtual laboratory courses in Physical Chemistry. • Supplement instruction in the lecture hall. • Complement hands-on projects in face-to-face laboratory courses. The case studies cover states of matter, thermochemistry, phase equilibria, reaction equilibria, chemical kinetics, electrolyte solutions, and activity coefficients. They are written to be self-contained to give flexibility in the choice of projects. The pedagogical approach in each case study is to use the given data in direct instruction followed by the analysis of the synthetic data as individualized tasks. Only open-source software tools are needed to analyze data. Each case study contains a thorough discussion of the theoretical principles underlying the experiment and data, the character of the data to be analyzed, and methods appropriate for the analysis of the data. The accompanying software has been written to allow the production of many data sets without risking duplication, yet the synthetic data can be regenerated if the files are lost or become corrupted. Software programs were written in Fortran 95 and are distributed as a suite of executable programs for Intel-based computers running Windows, MacOS, or Linux. This book will be of particular interest and usefulness to students and instructors in upper-division undergraduate physical chemistry courses.

This textbook presents the fundamentals of statistical thermodynamics and electronic structure theory and focuses on introducing the central concepts of thermodynamics and their relation to microscopic theories in a conceptually clear and simple way. The emphasis is on the description of what is going on at the microscopic level, which allows readers to understand the various facets of entropy as the fundamental driving force of all material behaviors. An atomistic perspective is introduced from the beginning, highlighting the importance of molecular structure and microscopic degrees of freedom for understanding the thermodynamic properties of materials, such as heat capacity and magnetization. Because of their importance in various research fields, classical and quantum aspects are treated equally, allowing modern research topics to be addressed with molecular simulation and electronic structure theory. It is a valuable resource for undergraduate and graduate students in chemistry, physics, and materials science, and its modular structure makes it suitable for any reader.

The second edition of this textbook provides a more elaborate explanation of several important group-theoretical concepts in quantum chemistry, such as: the bra-ket conjugation relation, the connection between point groups and isometries, the practical use of subduction tables, the eigenvalues of Cayley graphs, and the symmetry of Slater determinants. A new chapter introduces the application of line and plane groups to the properties of nanostructured low-dimensional molecular systems. In addition, several extra study problems are inserted to illustrate group theory at work in molecular science. The book is of great interest to advanced undergraduate and graduate students, enabling them to put the tools of group theory into practice when studying chemical problems of their own research. More experienced researchers will find in this book useful leads to the mathematical aspects of their subject.

This monograph is a comprehensive exploration of the thermochemical treatment of iron alloys, focusing specifically on quenching, carburising, and nitriding. The book introduces the importance of materials engineering in the context of contemporary societal needs and delves into the historical development of thermochemical treatment over the centuries. The global challenges facing thermochemical treatment are also outlined while the three primary development trends identified in the literature at the beginning of the 21st century: reducing thermal deformation in mass production, process modelling, and a multifactorial reduction of treatment costs are also reviewed. Finally, a detailed discussion on the significance of computational methods in advancing thermochemical treatment is included. The book provides a detailed examination of thermochemical treatment processes and their evolution and is a useful tool for graduates, researchers, and professionals working in the area of materials engineering.

A number of general-purpose, reasonably accurate and well-tested ab-initio codes for crystals are discussed in this book. The aim is to expand competence of their application in material sciences and solid-state physics. The book addresses particularly readers with a general knowledge in quantum chemistry and intends to give a deeper insight into the special algorithms and computational techniques in ab-initio computer codes for crystals. Three different programs which are available to all interested potential users on request are presented.

This Handbook covers the fundamentals of carbon nanotubes (CNT), their composites with different polymeric materials (both natural and synthetic) and their potential advanced applications. Three different parts dedicated to each of these aspects are provided, with chapters written by worldwide experts in the field. It provides in-depth information about this material serving as a reference book for a broad range of scientists, industrial practitioners, graduate and undergraduate students, and other professionals in the fields of polymer science and engineering, materials science, surface science, bioengineering and chemical engineering. Part 1 comprises 22 chapters covering early stages of the development of CNT, synthesis techniques, growth mechanism, the physics and chemistry of CNT, various innovative characterization techniques, the need of functionalization and different types of functionalization methods as well as the different properties of CNT. A full chapter is devoted to theory and simulation aspects. Moreover, it pursues a significant amount of work on life cycle analysis of CNT and toxicity aspects. Part 2 covers CNT-based polymer nanocomposites in approximately 23 chapters. It starts with a short introduction about polymer nanocomposites with special emphasis on CNT-based polymer nanocomposites, different manufacturing techniques as well as critical issues concerning CNT-based polymer nanocomposites. The text deeply reviews various classes of polymers like thermoset, elastomer, latex, amorphous thermoplastic, crystalline thermoplastic and polymer fibers used to prepare CNT based polymer composites. It provides detailed awareness about the characterization of polymer composites. The morphological, rheological, mechanical, viscoelastic, thermal, electrical, electromagnetic shielding properties are discussed in detail. A chapter dedicated to the simulation and multiscale modelling of polymer nanocomposites is an additional attraction of this part of the Handbook. Part 3 covers various potential applications of CNT in approximately 27 chapters. It focuses on individual applications of CNT including mechanical applications, energy conversion and storage applications, fuel cells and water splitting, solar cells and photovoltaics, sensing applications, nanofluidics, nanoelectronics and microelectronic devices, nano-optics, nanophotonics and nano-optoelectronics, non-linear optical applications, piezo electric applications, agriculture applications, biomedical applications, thermal materials, environmental remediation applications, anti-microbial and antibacterial properties and other miscellaneous applications and multi-functional applications of CNT based polymer nanocomposites. One chapter is fully focussed on carbon nanotube research developments: published papers and patents. Risks associated with carbon nanotubes and competitive analysis of carbon nanotubes with other carbon allotropes are also addressed in this Handbook

Climate Change and Carbon Recycling: Surface Chemistry Applications describes the application of surface chemistry methods for carbon capture and recycling in relation to climate change and atmospheric CO2 levels. The text is suitable for online education, with both basic and educational descriptions of the climate change process and carbon recycling methods like the adsorption and absorption of CO2 on solids. This book leads to a better understanding of a complex phenomenon and highlight the importance of CO2 capture and sequestration for the future to enable the utilization of fossil fuels without contributing to atmospheric greenhouse gases. Features: This unique volume specifically highlights the surface chemistry aspects of carbon capture and recycling (CCR). Fills the need for an online textbook edition, which provides a basic and educational description of the climate change process and carbon capture/recycling. Describes the application of surface chemistry methods for carbon capture and recycling, such as adsorption/absorption of CO2. Discusses the importance of recycling in reducing and controlling the concentration of carbon dioxide in the air (420 ppm: 0.042%). Describes the importance of the technology related to carbon capture/recycling and sequestration (CCS) from fossil fuel energy plants as a means of CO2 control.

This book discusses major developments of quantum mechanics from classical to computational chemistry. The book is student and user friendly and includes exhaustive derivations, mathematical proofs, and theorems. A series of solved numerical have been added after each topic to have a better understanding of the subject. It will be helpful to Chemistry students at undergraduate and postgraduate level, as well for those appearing in various competitive examinations. Print edition not for sale in South Asia (India, Sri Lanka, Nepal, Bangladesh, Pakistan or Bhutan)

Although the importance of steric fit for receptor-effector 1 interactions was recognized since Emil Fischer proposed his "lock and key" theory, the whole area of steric properties is still in a very 2-4 early stage of development. We have a fairly good idea about el- tronic and hydrophobic parameters, but it is not easy to describe ste­ ric shapes of molecules without a large number of data. There are se­ veral cases of good QSAR's developed for rather large series of mole- 5 cules without steric parameters - for example see papers by Hansch , 6 or Franke , but the state of steric parameters is nevertheless one of the most important drawbacks, especially concerning the ability of en­ compassing, within a single QSAR, molecules of different shapes and stereoisomers. From today's steric parameters, one may mention the 7 Taft parameters E ' which gave good results in organic chemistry, the S 8 10 ra th er cum b ersome way 0 f measurIng · s h ape d'ff I ere h ces 0 f Amoore - and , 11 12 AllInger ,and the L, B -B parameters of Verloop 1 4 The work described here consists of two types of approaches to the steric fit problem. The first approach consists of developing new parameters to describe different characteristics of the molecular shape (i. e. , branching, bulkiness); this is done by means of topological in­ dices

This book focuses on the development of high-performance carbon electrodes for sodium ion batteries (SIBs). By proposing folded-graphene as the high-density cathode with excellent rate capability, it provides insight into the interplay between oxygen functional groups and folded texture. It also highlights the superiority of ether electrolytes matching with carbon anodes, which are shown to deliver largely improved electrochemical performance. The achievements presented offer a valuable contribution to the carbon-based electrodes in SIBs. Erscheinungsdatum: 02.11.2023

This book comprehensively reviews the epidemiology and surveillance strategies of Visceral Leishmaniasis, and the latest developments in disease diagnosis, drug discovery, and vaccine development. The initial chapters cover the epidemiology features and spatial distribution of Visceral Leishmaniasis. The book further discusses the manifestations of HIV-Visceral Leishmaniasis infection on the immunopathogenesis, diagnosis, and therapeutic response. It analyzes the role of different proteomic technologies in understanding the parasite development, survival, drug resistance mechanisms, host-pathogen interactions, and the development of new therapeutic approaches. The book concludes by discussing recent advancements in vaccine development for Visceral Leishmaniasis. It discusses the promising vaccine candidate, their developmental status, current challenges, and prospects for rational vaccine development against Leishmania. This book is an invaluable source of information for students, and researchers working to understand the Leishmania biology, and drug development.

This book reports the establishment of a single-atomic layer metal of In and a novel (In, Mg) ultrathin film on Si(111) surfaces. A double-layer phase of In called “rect” has been extensively investigated as a two-dimensional metal. Another crystalline phase called “hex” was also suggested, but it had not been established due to difficulty in preparing the sample. The author succeeded in growing the large and high-quality sample of the hex phase and revealed that it is a single-layer metal. The author also established a new triple-atomic layer (In, Mg) film with a nearly freestanding character by Mg deposition onto the In double layer. This work proposes a novel method to decouple ultrathin metal films from Si dangling bonds. The present study demonstrates interesting properties of indium itself, which is a p-block metal both with metallicity and covalency. In this book, readers also see principles of various surface analysis techniques and learn how to use them andanalyze the results in the real systems. This book is useful to researchers and students interested in surface science, particularly ultrathin metal films on semiconductor surfaces.

This book describes a detailed multi-scale approach integrating nano- (active site), meso- (porous catalyst architecture) and macroscale (reactor) efforts, to address the challenges of producing a better epoxidation catalyst. It contains an in-depth study of the design and synthesis of gold nanoparticles and their application as a catalyst for direct gas phase propylene epoxidation. “Direct” means using only hydrogen and oxygen in one step, which is key for sustainable manufacturing, as opposed to commercialised, more complex production routes requiring multiple steps, or integration with another chemical plant. The insights gained can be used for rational design for stable and selective catalysts for other reactions. It also details the step-by-step process to build an epoxidation reactor system with a focus on safety aspects, which can be used as a guidebook for undergraduate and graduate students in chemical engineering. Beyond heterogeneous catalysis, the new, easily accomplished methodology for synthesising atomically precise nanoparticles is shown to be relevant to electrocatalysis and to healthcare applications, such as anti-microbial surfaces. This book will be of interest to researchers, engineers and experts in the related areas of chemical engineering, chemistry, material science and electrochemistry.

This reference provides collective information about the physical and photophysical changes of supramolecules after encapsulation. It covers luminescent systems involving a range of host molecules such as calixarenes, cyclodextrin, resorcinanene-crowns, pillararenes, cucurbituril, and metallacycles. Chapters also discuss the effect of the macrocyclic environment on the properties of functionalized molecules, including the variations in folding and unfolding patterns. Each chapter is supplemented with detailed references, making this an ideal resource for scholars interested in supramolecular photophysics.

Since the discovery of high-temperature superconductivity in cuprates, naturally and artificially layered compounds have attracted great interest to induce fascinating superconductivity with high transition temperature and unconventional pairing mechanisms. Extensive studies have developed this field deeper and wider, resulting in the discovery of a wide variety of novel layered superconductors such as ruthenates, nitride chlorides, LaAlOSubscript 3 3/SrTiOSubscript 3 3 heterostructures, and Fe-based superconductors [ 2– 6]. In this section, I introduce the properties of layered superconductors, especially the cuprate and Fe-based high-temperature superconductors.

Molecular carbon chains have attracted much interest for more than 130 years, but the length of chains is limited to 44 atoms even by sophisticated chemical synthesis. Recently, the artificial synthesis of long linear carbon chains, “carbynes,” has revived, and their existence was firmly substantiated using the latest advanced analytical methods, such as high-resolution electron microscopy and Raman scattering spectroscopy. Until the 1980s, graphite and diamond were the well-known allotropic forms of elemental carbon, which were two-dimensional (2D) and 3D crystals, respectively. Carbyne is the ultimate 1D nanowire with atomic diameter and its synthesis has opened prospects for versatile properties of carbon materials. Carbyne is a 1D semiconductor with a direct transition energy gap and interesting properties such as extreme mechanical strength are expected from it. This book comprehensively reviews and describes the latest chemical and physical synthesis methods, theoretically predicted properties, and possible applications of carbyne. This book comprehensively reviews and describes the recent development of chemical and physical synthesis methods, theoretically predicted properties, and possible applications of carbyne. Cover 1 Half Title 2 Title Page 4 Copyright Page 5 Table of Contents 6 Preface 12 Chapter 1: Historical Survey of “Carbyne” Research Leading to This Book 14 1.1: Introduction 14 1.2: Versatile Allotropes of Carbon 15 1.3: Carbyne in Nature 16 1.4: Chemical Synthesis 17 1.5: Physical Synthesis 18 1.6: Physicochemical Synthesis 19 1.7: Expected Physical Properties 20 Chapter 2: Formation and Characterization of Polyynes in Liquid and Solid Media 24 2.1: Introduction 25 2.2: Formation and Characterization of Polyynes 28 2.2.1: Laser Ablation of Graphite Particles in Organic Solvents 28 2.2.2: High Performance Liquid Chromatography (HPLC) for Separation and Purification 29 2.3: Optical Properties of Polyynes 32 2.3.1: Electronic States of Polyyne Molecules 32 2.3.2: UV Absorption Spectra 34 2.3.3: Raman Spectra 36 2.3.4: IR Absorption Spectra 38 2.3.5: Fluorescence Spectra 40 2.3.6: Phosphorescence Spectra 42 2.3.7: Photoinduced Formation of a Polyyne-Iodine Complex 44 2.4: Polyynes in Solid Media 45 2.4.1: Polyynes in Carbon Nanotubes 45 2.4.2: Crystalline Forms of Polyyne-Cyclodextrin Inclusion Compounds 47 2.4.3: Aligned Polyyne Molecules in PVA Films as UV Polarizer 49 2.4.4: Linear Dichroism 53 2.4.5: Angular Dependence of Transmittance and Absorbance for Linearly Polarized Light 56 2.5: Solid Aggregates of Polyynes 60 Chapter 3: Growth of Polyynes by Laser Ablation in Solution 68 3.1: Introduction 68 3.2: Physical Synthesis Methods: An Overview 71 3.3: Physical Processes in Pulsed Laser Ablation in Liquid 73 3.4: Synthesis of Nanomaterial by Pulsed Laser Ablation in Liquid 77 3.5: Formation Mechanisms of Carbon Atomic Wires by PLAL 82 3.6: How to Characterize Carbon Atomic Wires’ Mixtures Produced by PLAL 84 3.6.1: UV-Vis Absorption Spectroscopy 84 3.6.2: High-Performance Liquid Chromatography 86 3.6.3: Raman Spectroscopy 88 3.6.4: Surface-Enhanced Raman Spectroscopy 89 3.6.5: Resonance Raman Spectroscopy 91 3.7: Understanding the Importance of PLAL Parameters for Carbon Atomic Wires Fabrication 92 3.7.1: The Role of the Laser Wavelength and Fluence 92 3.7.2: The Impact of the Pulse Duration: ns-PLAL vs fs-PLAL 96 3.7.3: The Effect of Setup Geometries 97 3.8: Solvent Role 101 3.8.1: Water 106 3.8.2: Colloidal Solutions 106 3.8.3: Organic Solvents 107 3.8.4: Gaseous Environments 110 3.8.5: Summary 110 3.9: Target Role 111 3.9.1: Solid Targets 117 3.9.2: Powder Targets 117 3.9.3: Direct Ablation of the Solvent 118 3.9.4: Gaseous Environments 118 3.9.5: Metal Targets 119 3.10: Encapsulation of Polyynes by PLAL as a Route to Stabilization 119 3.10.1: Polymeric Matrices 120 3.10.2: Nanotubes 122 3.11: Conclusions 123 Chapter 4: Discovery of Carbon Nanowires and Mass Production of Single-Walled Carbon Nanowires by Polyyne Fusion 146 4.1: Introduction 147 4.1.1: Discovery of Carbon Nanowires (CNWs) 147 4.1.2: Impact on Carbyne Research of CNWs Discovery 150 4.1.3: Classification of CNWs and Preparation Methods 151 4.1.4: Research Progress of CNWs 152 4.1.5: The Content of This Chapter 154 4.2: Preparation of Polyyne Molecules, C2nH2, by Submerged Arc-Discharge in Organic Solvents, Their Purification and Storage 155 4.2.1: Preparation Methods of Polyyne Molecules, C2nH2, by Submerged Arc-Discharge 155 4.2.2: Purification and Concentration of Polyyne Solution via Carbides 157 4.2.3: Long-Term Storage of Polyyne Molecules, C2nH2, in Paraffin 159 4.3: Preparation of SWCNWs by Fusion Reaction of Polyyne Molecules inside SWCNTs 162 4.3.1: Synthesis of SWCNWs (LLCCs@SWCNTs) 162 4.3.1.1: A controlled approach for mass producing SWCNWs: polyynes fusion method 163 4.3.1.2: Removal of end-caps of ultrathin SWCNTs 164 4.3.1.3: Fusion reaction of polyyne molecules inside SWCNTs 165 4.3.2: Mechanism of Polyynes Fusion Method for Preparing SWCNWs 167 4.4: Characterization of SWCNWs 168 4.4.1: Raman Spectra Measurements of SWCNWs 168 4.4.2: HRTEM Observations of SWCNWs 171 4.5: Effect of Temperature on Raman Spectra of SWCNWs 175 4.6: Challenges and Prospects of SWCNWs 181 4.7: Conclusions 181 Chapter 5: Synthesis of Long Linear Carbon Chains Confined in Multi-Walled Carbon Nanotubes 192 5.1: Introduction to the Discovery of MWCNWs 193 5.2: The Preparation of MWCNWs via Arc-Discharge Method 197 5.2.1: The Apparatus and Conditions of Arc-Discharge Method to Prepare MWCNWs 197 5.2.2: The Characterization of MWCNWs Obtained via Arc-Discharge Method 202 5.2.2.1: HRTEM observations on MWCNWs 202 5.2.2.2: Raman spectroscopic studies on MWCNWs 205 5.3: The Mechanism of MWCNW Growth in Arc-Discharge Process 209 5.4: The Challenges and Prospects of MWCNWs and Arc-Discharge Method 219 Chapter 6: Atomistic Simulations of Formation Processes of Carbon Nanowires 224 6.1: Introduction 225 6.2: Properties of CNWs 231 6.3: Insertion Process of CNW Formation 232 6.4: Fusion Process of CNW Formation 234 6.5: Configurations of Carbon Chains with Hydrogen Adatoms 239 6.6: Diameter Effects on the Binding Energies of Carbon Nanowires 249 6.7: Summaries and Perspectives 252 Chapter 7: Synthesis of Confined Carbyne inside Carbon Nanotubes by Thermal Annealing 260 7.1: Introduction 261 7.2: Formation of Linear Carbon Chains by Thermal Annealing of DWCNTs 261 7.3: Tailored Growth of Confined Carbyne by Thermal Annealing of SWCNTs 270 7.4: The Role of CNTs in the Formation of LCCs 279 Chapter 8: Linear Carbon Chains Formed by Electric Discharge of Carbon Nanotube Cathode 286 8.1: Introduction 287 8.2: Field Emission and Discharge of CNT Film Cathode 288 8.3: Raman Spectroscopy of SWCNT Film After Discharge 289 8.4: Transmission Electron Microscopy of LCC inside CNT 296 8.5: Features of LCC@CNT Formed by Discharge Method 298 8.6: Hypothetical Formation Mechanism of LCC@CNT 299 8.7: Summary and Perspectives 300 Chapter 9: Structural and Electrical Characterization of Atomic Carbon Chains in the Electron Microscope 304 9.1: Introduction 305 9.1.1: The Structure and Properties of Individual Carbon Chains 305 9.1.2: The Characterization of Individual Carbon Chains 308 9.2: Imaging the Structure of Carbon Chains by Electron Microscopy 310 9.3: Measuring the Electrical Properties of Carbon Chains 312 9.4: Future Experimental Challenges and Outlook 315 Chapter 10: Carbon Chain Stripped from Graphene and Carbon Nanotube 320 10.1: Introduction 321 10.2: Carbon Chains Produced from Graphene 322 10.3: Carbon Chains Produced from Carbon Nanotube 325 10.4: Experimental Measurement of Electrical and Mechanical Characteristics of a Carbon Chain 327 10.5: Conclusions 329 Chapter 11: Superconductivity of One-Dimensional Carbon 334 11.1: Superconductivity in 1D System 335 11.2: One-Dimensional Carbon Materials 336 11.3: Scale Factor Approach for 1D Superconductivity of Carbon (CNT, Carbyne) 337 11.3.1: Carbon Nanotube 342 11.3.2: Monoatomic Carbon Chain 344 11.4: Toward Phonon-Mediated High-Temperature Superconductivity in Carbon Chains 346 11.5: Conclusion 360 Index 364 Nanomaterials;,Physical,Chemistry Nanomaterials,Physical Chemistry

This book highlights the emerging paradigm of nanomedicine, intersecting two burgeoning fields of nanotechnology and medicine. Numerous publications have appeared in the literature over the years, especially in cancer nanomedicine. In a boarder sense, nanomedicine aims to apply the knowledge and tools of nanotechnology in a mission to diagnose early and prevent or treat diseases using biocompatible nanoparticles (NPs). Current research in nanomedicine and its prospects depend on creating new breakthroughs at the nexus of nanomaterials and biological systems, making use of non-toxic NPs and nano/biomaterials as smart theranostic systems for a variety of diseases including cancer, neurodegenerative, orthopedic, and cardiac diseases.  This book provides a review on recent advancements of nanomedicine in the aforementioned emerging areas of nanomedicine.​

The structure of the theory ofthermodynamics has changed enormously since its inception in the middle of the nineteenth century. Shortly after Thomson and Clausius enunciated their versions of the Second Law, Clausius, Maxwell, and Boltzmann began actively pursuing the molecular basis of thermo­ dynamics, work that culminated in the Boltzmann equation and the theory of transport processes in dilute gases. Much later, Onsager undertook the elucidation of the symmetry oftransport coefficients and, thereby, established himself as the father of the theory of nonequilibrium thermodynamics. Com­ bining the statistical ideas of Gibbs and Langevin with the phenomenological transport equations, Onsager and others went on to develop a consistent statistical theory of irreversible processes. The power of that theory is in its ability to relate measurable quantities, such as transport coefficients and thermodynamic derivatives, to the results of experimental measurements. As powerful as that theory is, it is linear and limited in validity to a neighborhood of equilibrium. In recent years it has been possible to extend the statistical theory of nonequilibrium processes to include nonlinear effects. The modern theory, as expounded in this book, is applicable to a wide variety of systems both close to and far from equilibrium. The theory is based on the notion of elementary molecular processes, which manifest themselves as random changes in the extensive variables characterizing a system. The theory has a hierarchical character and, thus, can be applied at various levels of molecular detail.

Cover Half Title De Gruyter Series in Green Bioactive Heterocycles Green Bioactive Heterocycles: Volume 2 Aqueous-Mediated Synthesis: Bioactive Heterocycles Copyright Foreword A brief professional profile of Prof. John C. Warner Preface Contents List of contributors 1. Construction of benzazoles in aqueous medium: a sustainable approach 1.1 Introduction 1.2 Sustainable approaches for organic synthesis and the construction of benzazole scaffolds 1.2.1 Sustainable reaction media 1.2.1.1 Neat condition 1.2.1.2 Polyethylene glycol (PEG) 1.2.1.3 Eutectic solvent and supercritical fluid 1.2.1.4 Ionic liquids 1.2.1.5 Biomass-derived solvents 1.2.1.6 Alcohols 1.2.1.7 Fluorinated alcohols 1.2.1.8 Ethanol and water (EtOH:H2O) mixture 1.2.1.9 Water 1.2.2 Nonconventional energy sources 1.2.3 Sustainable reaction approaches/strategies 1.2.4 Sustainable catalysis 1.3 Synthesis of benzimidazoles in aqueous media 1.3.1 Water as reaction medium 1.3.2 Water–surfactant mixture as reaction media 1.4 Sustainable synthesis of benzoxazole derivatives 1.4.1 Water as reaction media 1.5 Sustainable synthesis of benzothiazole derivatives 1.5.1 Water as reaction medium 1.5.2 Water–surfactant mixture as reaction medium 1.6 Common sustainable synthesis of benzimidazole, benzothiazole, and benzoxazoles in aqueous medium 1.6.1 Water as the reaction medium 1.6.2 Aqueous suspension of SDS as reaction medium 1.7 Conclusions References 2. Catalyst-free synthesis of bioactive heterocycles in aqueous media 2.1 Introduction 2.2 Synthesis of bioactive heterocycles in aqueous media 2.2.1 Rhodanines 2.2.2 1,2,3-Triazole synthesis 2.2.3 Chromone synthesis 2.2.4 Synthesis of complex indolizine rings 2.2.5 Synthesis of spirooxindole-fused pyrrolidines 2.2.6 Synthesis of densely functionalized pyridine rings 2.2.7 Furan ring synthesis 2.2.8 Synthesis of pyran rings 2.2.9 Synthesis of [1,6]naphthyridines 2.2.10 Imidazo- and benzimidazo-fused polyheterocycle synthesis 2.2.11 Synthesis of 2-benzazepine derivatives 2.2.12 Synthesis of quinolone-2-thiones 2.2.13 Synthesis of isoquinolones 2.2.14 Synthesis of 1,4-dihydropyridines and polyhydroquinolines 2.3 Conclusions References 3. Aqueous-mediated sustainable catalytic methods for the synthesis of bioactive N-heterocycles 3.1 Introduction 3.2 Synthesis of nitrogen heterocycles 3.3 Conclusions References 4. Catalyst-free synthesis of monocyclic heterocycles in aqueous medium: a sustainable approach 4.1 Introduction 4.2 Classification of monocyclic heterocycles 4.3 Classical/traditional methods for the synthesis of monocyclic heterocycles 4.3.1 Robinson–Gabriel synthesis of oxazole 4.3.2 Biginelli reaction 4.3.3 Hantzsch dihydropyridine synthesis 4.3.4 Pyridine synthesis 4.4 Sustainable approaches for synthesis of monocyclic heterocycles 4.5 Synthesis of monocyclic heterocycles in aqueous media 4.5.1 Four-membered heterocycles 4.5.2 Five-membered heterocycles 4.5.3 Six-membered heterocycles 4.5.4 Seven-membered heterocycles 4.6 Conclusions References 5. Water as benign reaction medium for the synthesis of quinoxalines 5.1 Introduction 5.2 Water as reaction medium for organic synthesis 5.3 Recent developments in the synthesis of quinoxalines in aqueous m 5.3.1 Synthesis of quinoxalines in aqueous medium in the presence of catalyst 5.3.2 Quinoxaline synthesis in water in the presence of surfactant 5.3.3 Water as reaction media 5.4 Conclusions References 6. Synthesis in water: a sustainable tool for the construction of quinoline derivatives 6.1 Introduction 6.2 Recent developments in the synthesis of quinolines in aqueous media 6.2.1 Catalyst-based approaches for synthesis of quinoline derivatives in aqueous medium 6.2.2 Quinoline synthesis in aqueous medium using surfactants 6.3 Conclusions References 7. Aqueous-mediated synthesis of bioactive O-heterocycles 7.1 Introduction 7.2 Aqueous-mediated synthesis of bioactive O-heterocycles under catalyzed conditions 7.3 Aqueous-mediated protocols under catalyst-free conditions 7.4 Conclusions References 8. Aqueous-mediated synthesis of bioactive S-heterocycles 8.1 Introduction 8.2 Recent research work 8.2.1 Sodium fluoride catalysis 8.2.2 NBS-promoted synthesis 8.2.3 Erucin derivatization 8.2.4 β-CD-mediated synthesis 8.2.5 K2S2O8-mediated oxidative condensation 8.2.6 Nafion-H-promoted synthesis 8.2.7 (NH4)2HPO4 or 10% DABCO-assisted preparation 8.2.8 Microwave/ultrasound-assisted/conventional synthesis 8.2.9 Cu(II)–DiAm–Sar/SBA-15-catalyzed synthesis 8.2.10 Copper salt-assisted synthesis 8.2.11 CTAB-catalyzed synthesis 8.2.12 Sm(OTf)3-catalyzed preparation 8.2.13 Fe(III)–Schiff base/SBA-15-supported synthesis 8.2.14 Iron salt-catalyzed S-arylation 8.2.15 CuCl2–phen-catalyzed synthesis 8.2.16 Catalyst-free domino synthesis 8.2.17 FeCl3/1,10-phen-catalyzed preparation 8.2.18 Quaternary ammonium salt-catalyzed synthesis 8.2.19 Ionogel-catalyzed preparation 8.2.20 Brønsted acid–surfactant-combined ionic liquid [BAILs]-catalyzed synthesis 8.2.21 Synthesis in pyridine/water system 8.3 Conclusion References 9. Aqueous-mediated synthesis of bioactive spirooxindoles 9.1 Introduction 9.1.1 Spirocyclic compounds 9.1.2 Spirooxindoles 9.2 Aqueous-mediated synthesis of spirooxindoles 9.2.1 One-pot synthesis of spirooxindoles in aqueous media 9.2.2 Nanocatalyzed green synthesis of spirooxindoles in aqueous media 9.2.3 Green synthesis of spirooxindoles in aqueous media 9.2.4 Microwave-assisted synthesis of spirooxindoles in aqueous media 9.3 Conclusions References 10. Sodium dodecyl sulfate in water: A valuable combination for the synthesis of various bioactive heterocycles 10.1 Introduction 10.2 Synthesis of bioactive heterocycles 10.2.1 Synthesis of bioactive N-heterocycles 10.2.1.1 Synthesis of pyrroles 10.2.1.2 Synthesis of N-aryl-1,8-dioxo decahydroacridines 10.2.1.3 Aza-Diels–Alder reaction 10.2.1.4 Synthesis of 1,2-disubstituted benzimidazoles 10.2.1.5 Synthesis of quinoxaline derivatives 10.2.1.6 Synthesis of pyrrolo-quinoxalines 10.2.1.7 Synthesis of imidazopyridines 10.2.1.8 Synthesis of phthalazines 10.2.1.9 Synthesis of tetrahydropyrazolopyridine-6-ones 10.2.2 Synthesis of bioactive O-heterocycles using sodium dodecyl sulfate 10.2.2.1 Synthesis of benzo[b]furans 10.2.2.2 Synthesis of 3,4-dihydropyrano[c]chromene 10.2.2.3 Synthesis of 2-amino-3-cyano-tetrahydrobenzo[b]pyrans 10.2.3 Synthesis of bioactive N,O-heterocycles using sodium lauryl sulfate 10.2.3.1 Synthesis of functionalized pyrimidine 10.2.4 Synthesis of bioactive N,S-heterocycles using sodium dodecyl sulfate 10.2.4.1 Synthesis of 2-phenylbenzothiazole 10.2.4.2 Synthesis of 2,3-dihydro-1,5-benzothiazepines 10.3 Conclusions References 11. Synthesis of bioactive heterocycles involving heterogeneous catalysis in water 11.1 Introduction 11.2 Synthesis of three-membered ring 11.3 Synthesis of five-membered ring 11.3.1 Synthesis of polysubstituted pyrroles 11.3.2 Fabrication of hydroindeno[1,2-b]indoles 11.3.3 Preparation of trisubstituted furans and pyrroles 11.3.4 Synthesis of tetrasubstituted pyrroles 11.3.5 Construction of substituted indoles 11.3.6 Synthesis of functionalized trifluoromethylated oxindoles 11.3.7 Preparation of disubstituted isoxazolines and isoxazoles 11.3.8 Synthetic strategy toward 3,5-disubstituted isoxazoles 11.3.9 Strategy toward disubstituted isoxazolines 11.3.10 One-pot preparation of dihydrospiro furo[2,3-c]pyrazole 11.3.11 Construction of imidazo[1,2-a]pyridines 11.3.12 Preparation of differently substituted triazole derivatives 11.3.13 Synthesis of substituted benzothiazoles 11.3.14 Preparation of thiazolidinone-linked triazoles 11.4 Synthesis of six-membered ring 11.4.1 Synthesis of hexahydroquinolines 11.4.2 Preparation of hexahydroacridine derivatives 11.4.3 Preparation of hexahydroacridine derivatives 11.4.4 Fabrication of pyrazolo[3,4-b]pyridine 11.4.5 Fabrication of pyridopyrimidine derivatives 11.4.6 Strategy toward pyrido[2,3-d]pyrimidin-2-amine-6,5′-pyrimidines derivatives 11.4.7 Synthesis of imidazopyrimidine scaffolds 11.4.8 Fabrication of pyrrolo[1,2-a]pyrazine moeties 11.4.9 Preparation of isoquinoline and isoquinolone derivatives 11.4.10 Synthesis of 2-amino-4-(indol-3-yl)-4H-chromenes derivatives 11.4.11 Construction of dihydropyrano[c] chromene scaffolds 11.4.12 Preparation of 2-amino-4H chromenes 11.4.13 Preparation of 4H-pyrans 11.4.14 One-pot strategy for the preparation of various pyranopyrazole moieties 11.4.15 One-pot strategy for the preparation of various pyranopyrazole moieties 11.4.16 Fabrication of 3,4-dihydropyrimidin-2(1H)-one scaffolds 11.4.17 Synthesis of 2-substituted quinazolinone 11.4.18 Synthesis of spirooxindolepyrimidines and spirooxindole 11.4.19 Fabrication of tetrahydrobenzoxanthene and 1,6-dioxooctahydroxanthene scaffolds 11.4.20 Preparation of benzopyrano-chromene and pyrano-chromene moieties 11.4.21 Preparation of xanthenediones 11.4.22 Strategies toward variety of 3-aryl-3,4-dihydro-2H- naphtho[2,1-e][1,3]oxazine scaffolds 11.5 Synthesis of seven-membered ring 11.5.1 Preparation of 4,5,6,7-tetrahydro-1H-1,4-diazepine- 5-carboxamide 11.6 Miscellaneous 11.6.1 Mn-catalyzed dehydrogenative conversion of alcohols into acids 11.6.2 Fabrication of β-quinoline allylic sulfones 11.6.3 Synthesis of aminophosphonate derivatives 11.6.4 Preparation of 2-sulfonylquinoline derivatives 11.7 Conclusions References 12. Microwave-assisted aqueous-mediated synthesis of bioactive heterocycles 12.1 Introduction 12.2 Thermal versus nonthermal effects 12.3 Principles of microwave activation 12.4 Role of solvents in organic synthesis 12.5 Water as solvent 12.6 Comparison of microwave and conventional heating 12.7 Microwave-assisted synthesis of bioactive heterocycles 12.7.1 Synthesis of biaryl derivatives by Suzuki coupling reaction 12.7.2 Synthesis of triazones 12.7.3 Synthesis of triaza-benzo[b]fluoren-6-one derivatives 12.7.4 Synthesis of pyrazole and pyridazine derivatives 12.7.5 Synthesis of pyranopyrazoles 12.7.6 Synthesis of substituted acridine derivatives 12.7.7 Synthesis of diketopiperazines 12.7.8 Synthesis of 2-aminochromenes 12.7.9 Synthesis of dioxane-functionalized compounds 12.7.10 Synthesis of benzoxazines 12.7.11 Synthesis of bis-coumarin derivatives 12.7.12 Synthesis of rhodanine derivatives 12.7.13 Synthesis of terpyridines and fused pyridines 12.7.14 Synthesis of tricyclic β-lactam ring compounds 12.7.15 Synthesis of disubstituted 1,2,3-triazoles 12.7.16 Synthesis of 1,4-dihydropyridines 12.7.17 Synthesis of aryl-4(3H)-quinazolinone derivatives by deamination protocol 12.7.18 Synthesis of benzimidazole derivatives 12.7.19 Synthesis of pyranopyrazoles 12.7.20 Synthesis of indenoquinoline derivatives 12.7.21 Synthesis of 10H-phenothiazines 12.7.22 Fischer indole synthesis from phenylhydrazine 12.7.23 Synthesis of podophyllotoxin derivatives 12.7.24 Synthesis of benzo[f]azulenones 12.7.25 Synthesis of azaspiro cyclic compounds 12.7.26 Synthesis of azacyclic and isoindole derivatives 12.7.27 Synthesis of thiazolopyrimidine derivatives 12.7.28 Synthesis of quinazolinone derivatives 12.7.29 Synthesis of indole derivatives 12.7.30 Synthesis of N-aryl pyrrolidines 12.7.31 Synthesis of sugar-based pyrazole derivatives 12.8 Limitation 12.9 Conclusions References 13. Ultrasound-assisted aqueous-mediated synthesis of bioactive heterocycles 13.1 Introduction 13.2 Five-membered heterocyclic compounds 13.2.1 Furan 13.2.2 Thiophene 13.2.3 Isoxazole 13.2.4 Pyrazole 13.2.5 Thiadiazole 13.2.6 Tetrazoles 13.3 Six-membered heterocyclic compounds 13.3.1 Pyran 13.3.2 Pyrimidine 13.3.3 Thiazine 13.4 Seven-membered heterocyclic compounds 13.4.1 Thiazepines 13.5 Fused heterocyclic compounds 13.5.1 Indole 13.5.2 Isoindolin 13.5.3 Benzothiazole 13.5.4 Benzopyrans 13.5.5 Quinoline 13.5.6 Pyridotriazole 13.6 Conclusions References Index

In this newly revised and expanded edition the reader finds both an introduction to igneous petrology and an exposition of the quantitative use of phase diagrams in understanding the origin and crystallization history of basic magmas. The book provides a step-by- step analysis of crystallization and melting in a limited number of geologically significant phase diagrams. The limiting processes of fractional and equilibrium melting and fractional and equilibrium crystallization are rigorously examined. Examples of the use of phase diagrams are drawn from the literature of layered intrusions, redox equilibria in iron-bearing systems, and the high pressure equilibria of melting in the mantle.

This book presents recent advances in dinuclear complexes in which the metal-metal cooperative effect operates for obtaining substrate activation and high performance catalysts. Catalysis continues to be a fast expanding area to design efficient tools in synthesis and in industrial chemistry. It allows performing syntheses with short reaction times, atom economy, reduced consumption of energy and loss of reagents, and low level of wastes. Dinuclear complexes are known to be more efficient than the mononuclear analogues for the reaction rates and the selectivities. This book analyses the latest research, focusing on the key concepts, in building and using these dinuclear complexes. The book is aimed at researchers, graduate students and chemists at all levels in academia and industry.

This book is devoted to the quantitative electrochemical methods of analysis in solution. A theoretical knowledge of each method is discussed. The methods are illustrated with several examples covering a wide range of types of analysis. The book is divided in three parts. The first one is introductory. It recalls some definitions and some basic concepts of electrochemistry. The second part describes the methods themselves. Are studied voltametric methods, amperometry, potentiometry, conductometry, the electrogravimetry and coulometry. Some chapters are also dedicated to the chemical and electrochemical sensors. The third part consists in a supplementary theoretical knowledge of each method. This book is devoted to the quantitative electrochemical methods of analysis in solution. A theoretical knowledge of each method is discussed. The methods are illustrated with several examples covering a wide range of types of analysis. Electrodes,potentials;,Intensity-potential,curves;,Electrochemical,cell;,Polarization,curves;,Reversible,and,irreversible,systems;,Electrochemical,potentials;,Potentiometry;,pH,determination;,Amperometry;,Polarography;,Coulometry;,conductometry Electrodes potentials,Intensity-potential curves,Electrochemical cell,Polarization curves,Reversible and irreversible systems,Electrochemical potentials,Potentiometry,pH determination,Amperometry,Polarography,Coulometry,conductometry

This Ph.D. book develops nanowire-assisted electroporation disinfection technology based on the flow-through porous electrode. The author presents pioneering results on theoretical modeling, experimental realization, and selected applications, showing the novel disinfection mechanism of electroporation guarantees an exceedingly low level of energy consumption. In this regard, three classes of novel dynamic behavior are investigated: (i) The developed nanowire-assisted flow-through electroporation disinfection technology enables great microbial disinfection performance with extremely low voltage (1V), which significantly reduce the formation potential of harmful disinfection by-products during the treatment process. (ii) The nanowire-assisted flow-through electroporation disinfection technology ensures no reactivation/regrowth of inactivated bacteria and meanwhile promotes the gradual death of damaged bacteria during the storage process. (iii) The application of high-frequency AC power supply (106 Hz) ensures the high microbial disinfection efficiency while suppressing the occurrence of electrochemical reactions and extending the electrode lifetime effectively.

This book explores the potential of solid oxide electrolysis cells (SOEC) in the field of hydrogen production. It describes this technology in detail, including fundamentals, state-of-the-art the technology, materials development, current limitations, recent trends and industrial applications. It clarifies SOECs role in decarbonizing the energy sector, drawing on contributions from experts in the field. Erscheinungsdatum: 05.05.2023

This book presents a unified description of binding equilibrium for a wide variety of systems focusing on acid-base and coordination chemistry, adsorption at interfaces, and electron binding in electrochemistry. It overviews more complex phenomena such as competitive binding to different sites and of different ligands. Multiple sites such as those occurring in macromolecules, colloidal oxides, humid substances, and proteins are briefly discussed and many experimental results for these types of systems are analyzed. Titrations and consideration of the distribution of binding constants are also presented. The book is mainly directed at undergraduate/graduate students of chemistry, biology, and earth sciences. It is supplementary to the standard physical and analytical chemistry courses and will help both students and teachers get a more in-depth knowledge and understanding of the systems analyzed. Erscheinungsdatum: 21.10.2023

This book provides a model description for the electromagnetic response of topological nodal semimetals and summarizes recent experimental findings in these systems. Specifically, it discusses various types of topological semimetals – Dirac, Weyl, nodal-line, triple-point, and multifold semimetals – and provides description for the characteristic features of the linear electrodynamic response for all these types of materials. Topological semimetals possess peculiar bulk electronic band structure, which leads to unusual electrodynamic response. For example, the low-energy inter-band optical conductivity of nodal semimetals is supposed to demonstrate power-law frequency dependence and the intra- and inter-band contributions to the conductivity are often mixed. Further, the magneto-optical response is also unusual, because of the non-equidistant spacing between the Landau levels. Finally, in semimetals with chiral electronic bands, e.g. in Weyl semimetals, the simultaneous application of parallel magnetic and electric fields leads to the chiral anomaly, i.e. to a misbalance between the electrons with diffident chiralities. This misbalance affects the electrodynamics properties of the material and can be detected optically. All these points are addressed here in detail. The book is written for a wide audience of physicists, working in the field of topological condensed matter physics. It gives a pedagogical introduction enabling graduate students and non-experts to familiarize themselves with the subject.

This book highlights the most efficient and latest ways to deal with cancer, focusing on IONPs. The book describes some well-designed surface modifications performed through several functional materials over the surface of IONPs, which results in the development of multifunctional IONPs-based delivery nanoplatforms by enhancing solubility, stability, and avoiding side effects on healthy cells. Several types of stimuli-responsive IONPs-based strategies are also discussed. Owing to magnetic, structural, and thermal properties, IONPs themselves can be utilized for magnetic targeting, magnetic hyperthermia, and phototherapy. Significant advancements are presented in IONPs-based immunotherapy, radiotherapy, and sonodynamic therapy for the efficient treatment of cancer. Finally, the book presents RIONs which serve as the parent platform for the development of powerful DMCAs utilized in SPECT/MRI and PET/MRI applications.

Chemical kinetics aims to explain the factors governing the change with time of chemical systems. The results enable one to define optimum technico-economic condi­ tions (such as the choice of batch or continuous processes; of concentration, temperature, and pressure; of whether to use a catalyst) for the preparation of products, so that kinetics is intimately bound up with many processes of chemical industry (production, explosions, combustion, propulsion in air and in space). On another level, kinetic studies are indispensable for understanding reaction mechanisms, which implies a de­ tailed knowledge of the different chemical intermediates (possibly very transitory) of a chemical reaction. But in practice it is rarely possible to work with microscopic quantities of reagents and, with the exception of crossed molecular beams, all methods give only statistical results concerning a large number of molecules. Because of this restriction, it has not always been possible to establish conclusively a reaction mechanism, even for reactions ap­ parently simple. Numerous attempts have been made to calculate rate constants from the physical properties of the participating molecules; but the introduction of the 'time' factor into calculations of the distribution of energies of chemical processes makes this very difficult, so that the elucidation of mechanisms still depends almost entirely on experi­ mental studies. However, several theories have been elab­ orated which, in giving a more and more precise picture of the reaction process, have proved very fruitful, and have become indispensable in designing experiments

Interfacial Phenomena explores the more primary properties of different liquid interfaces. This book is divided into eight chapters, where Chapter 1 establishes the basic concepts of the physics of surfaces, including the properties of matter in the surface layer. Chapters 2 and 3 further discuss the concepts of electrostatic and electrokinetic phenomena, respectively. Other areas discussed in the later chapters include adsorption at liquid interfaces; properties of monolayers; reactions at liquid interfaces; and mass transfer across interfaces. Chapter 8 discusses the more relevant aspects of disperse systems and adhesion as related to the interfacial properties discussed in the previous chapters. The text is a valuable source of information to students and researchers in the fields of chemistry, biology, and chemical engineering and can also be used for industrial and academic laboratories.

The last two decades have brought a near exponential increase in the amount known about mineral surfaces. Get a handle on this overwhelming mountain of information with The Physics and Chemistry of Mineral Surfaces. This much-needed text will save you hours of tedious journal searches by providing an excellent condensation and overview of the entire field, including its future direction. Top researchers outline atomistic controls on mineral surface structure and reactions; apply these concepts to explain sorption, mineral corrosion and growth; and ultimately consider the role of surfaces in environmental and geochemical processes. This unique text provides a rich and rigorous treatment of these subjects by combining surface physics and chemistry - highlighting their useful, yet often ignored, complementary nature. Unlike other texts, The Physics and Chemistry of Mineral Surfaces also stresses the linkage between fundamentals of mineral surface science and specific real-world problems. This connection facilitates the application of surface physics and chemistry to macroscopic, global processes, such as the origins of life, global warming, and environment degradation. Nowhere else will you find a text on this topic that combines expansive coverage with clear-cut practical applications. Don't miss out! The Physics and Chemistry of Mineral Surfaces has it all.

This award-winning textbook delivers an earnest and comprehensive treatment of the rapidly evolving field of Materials Chemistry. It addresses inorganic-, organic-, and nano-based materials from a structure vs. property treatment, providing a suitable breadth and depth coverage of the field―in a concise and accessible format.The updated 4th edition features significant updates to glasses and ceramics, solid-state impurities, nanomaterial toxicity, as well as materials used in energy storage, photovoltaic, and electronics applications. Advanced fabrication techniques such as additive manufacturing (3-D printing) and dynamic light scattering (DLS) characterization of suspended nanoparticles are now also included. This new edition also expands the coverage of sustainability and life cycle analysis, of increasing importance for a world plagued with the effects of climate change.Recognized by a 2008 Textbook Excellence Award from the Text and Academic Authors Association (TAA), Fahlman’s Materials Chemistry is ideal for upper-level undergraduate students, as well as first-year graduate students in chemistry, physics, or engineering fields, and may also serve as a valuable reference to industrial researchers. Each chapter concludes with a section that describes important materials applications and an updated list of thought-provoking questions.