This book covers the fundamental aspects of the electrochemistry and redox enzymes that underlie enzymatic bioelectrocatalysis, in which a redox enzyme reaction is coupled with an electrode reaction. Described here are the basic concept and theoretical aspects of bioelectrocatalysis and the various experimental techniques and materials used to study and characterize related problems. Also included are the various applications of bioelectrocatalysis to bioelectrochemical devices including biosensors, biofuel cells, and bioreactors. This book is a unique source of information in the area of enzymatic bioelectrocatalysis, approaching the subject from a cross-disciplinary point of view.

This book focuses on the computational modeling of organometallic reactivity. In recent years, computational methods, particularly those based on Density Functional Theory (DFT) have been fully incorporated into the toolbox of organometallic chemists' methods. Nowadays, energy profiles of multistep processes are routinely calculated, and detailed mechanistic pictures of the reactions arise from these calculations. This type of analysis is increasingly performed even by experimentalists themselves. The volume aims to connect established computational organometallics with the more recent theoretical and methodological developments applied to this field. This would allow broadening of the simulation scope toward emergent organometallic areas (as ligand design or photoactivated processes), to narrow the gap between calculations and experiments (microkinetic models) and even to discover new reactions (automated methods). Given the broad interest and extensive application that computational methods have reached within the organometallic community, this new volume will attract the interest of both experimental and computational organometallic chemists.

This book focuses on theoretical and computational studies by the editor's group on the direct hydroxylation of methane, which is one of the most challenging subjects in catalyst chemistry. These studies of more than 20 years include gas-phase reactions by transition-metal oxide ions, enzymatic reactions by two types of methane monooxygenase (soluble and particulate MMO), catalytic reactions by metal-exchanged zeolites, and methane C-H activation by metal oxide surfaces. Catalyst chemistry has been mostly empirical and based on enormous experimental efforts. The subject of the title has been tackled using the orbital interaction and computations based on extended Huckel, DFT, and band structure calculations. The strength of the theoretical studies is in the synergy between theory and experiment. Therefore, the group has close contacts with experimentalists in physical chemistry, catalyst chemistry, bioinorganic chemistry, inorganic chemistry, and surface chemistry. This resulting book will be useful for the theoretical analysis and design of catalysts.

Discover the latest research in photocatalysis combined with foundational topics in basic physical and chemical photocatalytic processes In Heterogeneous Photocatalysis: From Fundamentals to Applications in Energy Conversion and Depollution, distinguished researcher and editor Jennifer Strunk delivers a rigorous discussion of the two main topics in her field--energy conversion and depollution reactions. The book covers topics like water splitting, CO2 reduction, NOx abatement and harmful organics degradation. In addition to the latest research on these topics, the reference provides readers with fundamental information about elementary physical and chemical processes in photocatalysis that are extremely practical in this interdisciplinary field. It offers an excellent overview of modern heterogeneous photocatalysis and combines concepts from different viewpoints to allow researchers with backgrounds as varied as electrochemistry, material science, and semiconductor physics to begin developing solutions with photocatalysis. In addition to subjects like metal-free photocatalysts and photocarrier loss pathways in metal oxide absorber materials for photocatalysis explored with time-resolved spectroscopy, readers will also benefit from the inclusion of: Thorough introductions to kinetic and thermodynamic considerations for photocatalyst design and the logic, concepts, and methods of the design of reliable studies on photocatalysis Detailed explorations of in-situ spectroscopy for mechanistic studies in semiconductor photocatalysis and the principles and limitations of photoelectrochemical fuel generation Discussions of photocatalysis, including the heterogeneous catalysis perspective and insights into photocatalysis from computational chemistry Treatments of selected aspects of photoreactor engineering and defects in photocatalysis Perfect for photochemists, physical and catalytic chemists, electrochemists, and materials scientists, Heterogeneous Photocatalysis will also earn a place in the libraries of surface physicists and environmental chemists seeking up-to-date information about energy conversion and depollution reactions.

The book gives a unique overview of this rapidly developing research field, presenting structures and properties of flavin derivatives as well as their proven application as bioinspired catalysts in various organocatalytic, biocatalytic, and photocatalytic reactions.

This book presents active application aspects of theoretical chemistry, and is particularly intended for experimental chemists, ranging from graduate students to more professional researchers, who are developing new materials or searching for novel properties of the materials they work with. It not only addresses the fundamental aspects of theoretical chemistry but also provides abundant examples of applications based on the electronic structure analyses of actual systems. As the book demonstrates, these analyses can deepen our understanding of a variety of chemical phenomena, including the chemical reactivities and electronic properties of substances, in a bottom-up manner. By illustrating how electronic structure analyses can be effectively applied, the book introduces readers to the impressive potential of theoretical chemistry, which they can adapt for their own purposes, and without having to suffer through a parade of complex formulae.

This book presents specific key natural and artificial systems that are promising biocatalysts in the areas of health, agriculture, environment and energy. It provides a comprehensive account of the state of the art of these systems and outlines the significant progress made in the last decade using these systems to develop innovative, sustainable and environmentally friendly solutions. Chapters from expert contributors explore how natural enzymes and artificial systems tackle specific targets such as: climate change, carbon footprint and economy and carbon dioxide utilisation; nitrogen footprint and fixation and nitrous oxide mitigation; hydrogen production, fuel cells and energy from bacteria; biomass transformation and production of added-value compounds, as well as biosensors development. This book provides an important and inspiring account for the designing of new natural and artificial systems with enhanced properties, and it appeals not only to students and researchers working in the fields of energy, health, food and environment, but also to a wider audience of educated readers that are interested in these up-to-date and exciting subjects.Chapter "Carbon Dioxide Utilisation-The Formate Route" is available open access under a Creative Commons Attribution 4.0 International License via link.springer.com.

This book presents new data on combustion processes for practical applications, discussing fire safety issues in the development of flame arresters and the use of noble metals in hydrogen recombiners for nuclear power plants. It establishes the basic principles of production of metal nanostructures, namely nanopowders of metals and compact products made of them, with the preservation of the unique properties of nanoproducts.

This book explores efficient syntheses of indole alkaloids based on gold-catalyzed cascade cyclizations, presenting two strategies for total synthesis of these natural products based on gold-catalyzed reactions of conjugated diyne or ynamide. The book first describes the total and formal synthesis of dictyodendrins A-F based on direct construction of the pyrrolo[2,3-c]carbazole core using the gold-catalyzed annulation of azido-diynes and protected pyrrole. This synthetic strategy features late-stage functionalization of the pyrrolo[2,3-c]carbazole scaffold at several positions and allows diverse access to dictyodendrins and their derivatives. Secondly, the book discusses the formal synthesis of vindorosine based on the pyrrolo[2,3-d]carbazole construction using the gold-catalyzed cascade cyclization of ynamide. Importantly, the reaction using a chiral gold complex provides the optically active pyrrolo[2,3-d]carbazole. This strategy facilitates the rapid construction of the pyrrolocarbazole core structure of aspidosperma and related alkaloids, including vindorosine. These methodologies can accelerate the medicinal application of pyrrolocarbazole-type alkaloids and related compounds.

This volume discusses the great potential of metal nanoparticle catalysts for complicated molecular synthesis and reviews the current progress of this field. The development of highly active and stable heterogeneous catalysts is a crucial subject in modern science. However, development of heterogeneous catalysts for fine chemical synthesis has lagged far behind those for bulk chemical process. In recent years metal nanoparticle catalysts have been of great interest in this area due to their unique activity, ease of heterogenization, and robustness. Therefore, metal nanoparticle catalysts are an excellent candidate for the above-mentioned active and robust heterogeneous catalysts and this book provides an overview of this area. The present volume summarizes recent progress on nanoparticle catalysis for various organic transformations from simple redox reactions to complex asymmetric C-C bond forming reactions and also presents seminal studies on new technologies. It comprehensively summarizes advances in metal nanoparticle catalysis across several aspects including reaction manners, mechanistic investigations and new synthetic methodologies to encourage the use of metal nanoparticle catalysts for future organic synthesis. This volume will be of interest to students, researchers and professionals focused on the next-generation of fine chemical synthesis.

This book introduces various types of reactions to produce chemicals by the direct conversion of methane from the point of view of mechanistic and functional aspects. The chemicals produced from methane are aliphatic and aromatic hydrocarbons such as propylene and benzene, and methanol. These chemicals are created by using homogeneous catalysts, heterogeneous catalysts such as zeolites, and biocatalysts such as enzymes. Various examples of methane conversion reactions that are discussed have been chosen to illustrate how heterogeneous and homogenous catalysts and biocatalysts and/or their reaction environments control the formation of highly energetic species from methane contributing to C-C and C-O bond formation.

This book provides a comprehensive description of the catalytic technologies for selective hydrogenation of benzene to cyclohexene. Focusing on selective hydrogenation of benzene to prepare cyclohexene and its downstream products, such as cyclohexanone, bulk chemicals and high-value fine chemicals, it also discusses the objective laws, reaction mechanisms and scientific significance based on experimental data, analysis and characterization results. Given its scope, the book will appeal to a broad readership, particularly professionals at universities and scientific research institutes, senior undergraduates, master's and doctoral graduate students as well as practitioners in industry.

This book presents advanced photocatalytic technologies for wastewater treatment. The fabrication, surface modification, roles and mechanisms of green catalysts are detailed. The catalysts include nanostructured catalysts, semiconductors, metal and non-metal doped catalysts, surface plasmon materials, graphene oxide-based materials, polymer-based composite materials, heterogenous type I and type II catalysts.

This book presents Pd- and Ni-catalyzed transformations generating functionalized heterocycles. Transition metal catalysis is at the forefront of synthetic organic chemistry since it offers new and powerful methods to forge carbon-carbon bonds in high atom- and step-economy. In Chapter 1, the author describes a Pd- and Ni-catalyzed cycloisomerization of aryl iodides to alkyl iodides, known as carboiodination. In the context of the Pd-catalyzed variant, the chapter explores the production of enantioenriched carboxamides through diastereoselective Pd-catalyzed carboiodination. It then discusses Ni-catalyzed reactions to generate oxindoles and an enantioselective variant employing a dual ligand system. Chapter 2 introduces readers to a Pd-catalyzed diastereoselective anion-capture cascade. It also examines diastereoselective Pd-catalyzed aryl cyanation to synthesize alkyl nitriles, a method that generates high yields of borylated chromans as a single diastereomer, and highlights its synthetic utility. Lastly, Chapter 3 presents a Pd-catalyzed domino process harnessing carbopalladation, C-H activation and -system insertion (benzynes and alkynes) to generate spirocycles. It also describes the mechanistic studies performed on these reactions.

This book provides researchers in the fields of organic chemistry, organometallic chemistry and homogeneous catalysis with an overview of significant recent developments in the area of metal-ligand cooperativity, with a focus on pincer architectures. The various contributions highlight the widespread impact of M-L co-operativity phenomena on modern organometallic chemistry and catalyst development. The development of efficient and selective catalytic transformations relies on the understanding and fine control of the various elementary reactions that constitutes a catalytic cycle. Co-operative ligands, which actively participate in bond making and bond breaking together to the metal they support, open up new avenues in this area. In particular, buttressing a weak or reactive metal-ligand bond by flanking coordinating arms in a pincer ligand design is proving a versatile strategy to access robust metal complexes that exhibit unusual and selective reactivity patterns.

This new volume "Iridium Catalysts for Organic Reactions" in the series "Topics in Organometallic Chemistry" intends to update several representative well-known reactions and to introduce other less known or new reactions in particular covering sustainability aspects. Iridium complexes are efficient in many catalytic homogeneous transformations providing high efficiency in both results, activity and selectivity. The interest of the book lies in the presentation of the advances, new perspectives and application in a variety of representative iridium-catalysed reaction. All chapters in the volume are contributed by relevant international experts in the field. The book is aimed at researchers, graduate students and synthetic chemists at all levels in academia and industry.

This book provides detailed information on the base catalysis of group 5 (Nb, Ta) metal oxide clusters by elucidating how the structural factors such as constituent metals, counter cations, and local structures of base sites affect their catalysis. Uniquely, it reveals the effects of key structural factors at the molecular level by combining experimental and theoretical approaches. The findings presented here provide rational design principles for base catalysis and will foster the development of promising catalysts for solving current and future energy and environmental problems.

This book introduces readers to the use of formic acid for efficient organic synthesis. It describes the N-methylation of aromatic and aliphatic amines with formic acid using a boron-based catalyst [B(C6F5)3] in combination with silanes and without the need for an expensive transition metal catalyst. It also shows that formic acid interacts with alkynes and allyl alcohols through a carbonylation process that generates carbon monoxide in situ from nickel and palladium catalysis, respectively, doing away with the need to use high-pressure CO gas and offering a user-friendly and practical method for preparing functionalized , - and , -unsaturated carboxylic acids. The findings presented not only enrich the field of 'C1 chemistry,' but also support the advancement of green and sustainable chemistry.

With a foreword from leading organic chemist Professor Paul Wender, this book collects the major developments reported in the past thirty years in the field of enantioselective reactions promoted by chiral cobalt catalysts, illustrating the power of these green catalysts to provide all types of organic reactions from the basic to completely novel methodologies. The search for new methodologies to prepare optically pure products is one of the most active areas of research in organic synthesis. Of the methods available for preparing chiral compounds, catalytic asymmetric synthesis has attracted the most attention. In particular, asymmetric transition-metal catalysis is a powerful tool for performing reactions in a highly enantioselective fashion. Efforts to develop new asymmetric transformations have previously focused on the use of rare metals such as titanium, palladium, iridium and gold. However, the ever-growing need for environmentally friendly catalytic processes has prompted chemists to focus on the more abundant and less toxic first-row transition metals, such as cobalt, to develop new catalytic systems. The ability of cobalt catalysts to adopt unexpected reaction pathways has led to an impressive number of enantioselective cobalt-promoted transformations being developed over the past three decades. These have included the synthesis of many different types of products, often under relatively mild conditions and with remarkable enantioselectivities. This book is a useful reference resource for chemists, both academic and industrial, working in organic synthesis and interested in greener or more economical catalytic alternatives.

The series Topics in Current Chemistry Collections presents critical reviews from the journal Topics in Current Chemistry organized in topical volumes. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. The chapter "Mechanochemical Forces as a Synthetic Tool for Zero and One-Dimensional Titanium Oxide-Based Nano-photocatalysts" is available open access under a CC BY 4.0 License via link.springer.com.

This book introduces the new concept of "nanozyme", which refers to nanomaterials with intrinsic enzymatic activity, rather than nanomaterials with biological enzymes incorporated on the surface. The book presents the cutting-edge advances in nanozyme, with emphasis on state-of-the-art applications in many important fields, such as in the biomedical fields and for environmental protection. The nanozyme is a totally new type of artificial enzyme and exhibits huge advantages over natural enzymes, including greater stability, low cost, versatility, simplicity, and suitability for industry. It is of interest to university researchers, R&D engineers, as well as graduate students in nanoscience and technology, and biology wishing to learn the core principles, methods, and the corresponding applications of "nanozyme".

This book discusses systematically the theoretical research and the applications of electrochemical oxygen reduction. Oxygen reduction reaction is a common issue in electrochemistry, but is also an important process involved in the field of energy, cryogenic fuel cells, metal-air cells, oxygen sensors and hydrogen peroxide preparation. This book is divided into 6 chapters; it starts with a description of dynamic mechanisms, followed by a detailed introduction on the related experimental methods and related catalyst preparation technology. By providing the basic methods and testing techniques, and by demonstrating their applications, it helps readers gain a better understanding of oxygen reduction reactions, making it a valuable resource for the industrialization of scientific research achievements. Accordingly, the book appeals to a broad readership, particularly graduate students, those working at universities and research organizations, and industrial researchers.

This book demonstrates that solar energy, the most abundant and clean renewable energy, can be utilized to drive methane activation and conversion under mild conditions. The book reports that coupling solar energy and thermal energy can significantly enhance methane conversion at mild temperatures using plasmonic nanometal-based catalysts, with a substantial decrease in apparent activation energy of methane conversion. Furthermore, this book, for the first time, reports the direct photocatalytic methane oxidation into liquid oxygenates (methanol and formaldehyde) with only molecular oxygen in pure water at room temperature with high yield and selectivity over nanometals and semiconductors (zinc oxide and titanium dioxide). These findings are a big stride toward methane conversion and inspire researchers to develop strategies for efficient and selective conversion of methane to high-value-added chemicals under mild conditions.

This book focuses on the combustion performance and application of innovative energetic materials for solid and hybrid space rocket propulsion. It provides a comprehensive overview of advanced technologies in the field of innovative energetic materials and combustion performance, introduces methods of modeling and diagnosing the aggregation/agglomeration of active energetic metal materials in solid propellants, and investigates the potential applications of innovative energetic materials in solid and hybrid propulsion. In addition, it also provides step-by-step solutions for sample problems to help readers gain a good understanding of combustion performance and potential applications of innovative energetic materials in space propulsion. This book serves as an excellent resource for researchers and engineers in the field of propellants, explosives, and pyrotechnics.

The series Topics in Current Chemistry Collections presents critical reviews from the journal Topics in Current Chemistry organized in topical volumes. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience.Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field.