Christopher M. Cheatum and Amnon Kohen, Relationship of Femtosecond-Picosecond Dynamics to Enzyme-Catalyzed H-Transfer. Cindy Schulenburg and Donald Hilvert, Protein Conformational Disorder and Enzyme Catalysis. A. Joshua Wand, Veronica R. Moorman and Kyle W. Harpole, A Surprising Role for Conformational Entropy in Protein Function. Travis P. Schrank, James O. Wrabl and Vincent J. Hilser, Conformational Heterogeneity Within the LID Domain Mediates Substrate Binding to Escherichia coli Adenylate Kinase: Function Follows Fluctuations. Buyong Ma and Ruth Nussinov, Structured Crowding and Its Effects on Enzyme Catalysis. Michael D. Daily, Haibo Yu, George N. Phillips Jr and Qiang Cui, Allosteric Activation Transitions in Enzymes and Biomolecular Motors: Insights from Atomistic and Coarse-Grained Simulations. Karunesh Arora and Charles L. Brooks III, Multiple Intermediates, Diverse Conformations, and Cooperative Conformational Changes Underlie the Catalytic Hydride Transfer Reaction of Dihydrofolate Reductase. Steven D. Schwartz, Protein Dynamics and the Enzymatic Reaction Coordinate.

The series Topics in Organometallic Chemistry presents critical overviews of research results in organometallic chemistry. As our understanding of organometallic structure, properties and mechanisms increases, new ways are opened for the design of organometallic compounds and reactions tailored to the needs of such diverse areas as organic synthesis, medical research, biology and materials science. Thus the scope of coverage includes a broad range of topics in pure and applied organometallic chemistry, where new breakthroughs are being achieved that are of significance to a larger scientific audience. The individual volumes of Topics in Organometallic Chemistry are thematic. Review articles are generally invited by the volume editors.

The book explains the principles and fundamentals of photocatalysis and highlights the current developments and future potential of the green-chemistry-oriented applications of various inorganic, organic, and hybrid photocatalysts. The book consists of eleven chapters, including the principles and fundamentals of heterogeneous photocatalysis; the mechanisms and dynamics of surface photocatalysis; research on TiO2-based composites with unique nanostructures; the latest developments and advances in exploiting photocatalyst alternatives to TiO2; and photocatalytic materials for applications other than the traditional degradation of pollutants, such as carbon dioxide reduction, water oxidation, a complete spectrum of selective organic transformations and water splitting by photocatalytic reduction. In addition, heterogeneized polyoxometalate materials for photocatalytic purposes and the proper design of photocatalytic reactors and modeling of light are also discussed. This book appeals to a wide readership of the academic and industrial researchers and it can also be used in the classroom for undergraduate and graduate students focusing on heterogeneous photocatalysis, sustainable chemistry, energy conversion and storage, nanotechnology, chemical engineering, environmental protection, optoelectronics, sensors, and surface and interface science. Juan Carlos Colmenares is a Professor at the Institute of Physical Chemistry, Polish Academy of Sciences, Poland. Yi-Jun Xu is a Professor at the State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, China.

This work describes novel, effective hydrogen-bond (HB) donor catalysts based on a known bifunctional tertiary amine-thiourea, a privileged structure, which has been proven to be one of the most widely used organocatalysts. These HB donor catalysts derived from quinazoline and benzothiadiazine were initially synthesized as novel HB donors with their HB-donating abilities being measured by analytical methods. They were found to be effective for a variety of asymmetric transformations including Michael reactions of a, b-unsaturated imides and hydrazination reactions of 1,3-dicarbonyl compounds. Thiourea catalysts that have an additional functional group are also described. Specifically, thioureas that bear a hydroxyl group were synthesized and subsequently used as novel bifunctional organocatalysts for catalytic, asymmetric Petasis-type reactions involving organoboronic acids as nucleophiles. These addition reactions were difficult to achieve using existing organocatalysts. One of the developed catalytic methods can be applied to the synthesis of biologically interesting peptide-derived compounds possessing unnatural vinyl glycine moieties. These findings introduce new criteria required for the development of organocatalysts for asymmetric reactions, thus making a significant contribution to the field of organocatalysis.

Frustrated Lewis Pairs: From Dihydrogen Activation to Asymmetric Catalysis, by Dianjun Chen, Jurgen Klankermayer Coexistence of Lewis Acid and Base Functions: A Generalized View of the Frustrated Lewis Pair Concept with Novel Implications for Reactivity, by Heinz Berke, Yanfeng Jiang, Xianghua Yang, Chunfang Jiang, Subrata Chakraborty, Anne Landwehr New Organoboranes in "Frustrated Lewis Pair" Chemistry, by Zhenpin Lu, Hongyan Ye, Huadong Wang Paracyclophane Derivatives in Frustrated Lewis Pair Chemistry, by Lutz Greb, Jan Paradies Novel Al-Based FLP Systems, by Werner Uhl, Ernst-Ulrich Wurthwein N-Heterocyclic Carbenes in FLP Chemistry, by Eugene L. Kolychev, Eileen Theuergarten, Matthias Tamm Carbon-Based Frustrated Lewis Pairs, by Shabana Khan, Manuel Alcarazo Selective C-H Activations Using Frustrated Lewis Pairs. Applications in Organic Synthesis, by Paul Knochel, Konstantin Karaghiosoff, Sophia Manolikakes FLP-Mediated Activations and Reductions of CO2 and CO, by Andrew E. Ashley, Dermot O'Hare Radical Frustrated Lewis Pairs, by Timothy H. Warren and Gerhard Erker Polymerization by Classical and Frustrated Lewis Pairs, by Eugene Y.-X. Chen Frustrated Lewis Pairs Beyond the Main Group: Transition Metal-Containing Systems, by D. Wass Reactions of Phosphine-Boranes and Related Frustrated Lewis Pairs with Transition Metal Complexes, by Abderrahmane Amgoune, Ghenwa Bouhadir, Didier Bourissou

The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. 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. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.

Industrial and academic scientists face increasing challenges to find cost-effective and environmentally sound catalysts for a variety of applications. This volume provides a balanced and in-depth review of the modern approaches to some of these challenges covering major areas such as catalysts for green catalytic processes, research and development of hydrocracking catalysts, using nanoclusters as catalysts and preparation of foams.

Discovery of Frustrated Lewis Pairs: Intermolecular FLPs for Activation of Small Molecules, by Douglas W. Stephan Intramolecular Frustrated Lewis Pairs: Formation and Chemical Features, by Gerald Kehr, Sina Schwendemann, Gerhard Erker Frustrated Lewis Pair Mediated Hydrogenations, by Douglas W. Stephan, Gerhard Erker Amine-Borane Mediated Metal-Free Hydrogen Activation and Catalytic Hydrogenation, by Victor Sumerin, Konstantin Chernichenko, Felix Schulz, Markku Leskela, Bernhard Rieger, Timo Repo Hydrogen Activation by Frustrated Lewis Pairs: Insights from Computational Studies, by Tibor Andras Rokob, Imre Papai Quantum Chemistry of FLPs and Their Activation of Small Molecules: Methodological Aspects, by Birgitta Schirmer, Stefan Grimme Computational Design of Metal-Free Molecules for Activation of Small Molecules, Hydrogenation, and Hydroamination, by Zhi-Xiang Wang, Lili Zhao, Gang Lu, Haixia Li, Fang Huang Computational Studies of Lewis Acidity and Basicity in Frustrated Lewis Pairs, by Thomas M. Gilbert Solid-State NMR as a Spectroscopic Tool for Characterizing Phosphane - Borane Frustrated Lewis Pairs, by Thomas Wiegand, Hellmut Eckert, Stefan Grimme

Karl Striegler investigates novel materials for photocatalytic hydrogen evolution from water. Graphitic Carbon Nitrides are an interesting class of materials with a structure close to graphite. For overcoming certain limitations, the author used different approaches to functionalize the basic material. He deposited nanoparticles to enhance the catalytic activity and used copolymerization as well as sensitizing to increase the amount of harvested light.

In recent years, semiconductor-based heterogeneous photocatalysis has received great attention as a promising "green" approach enabling the sustainable development of environment and energy, such as the removal of organic dye pollutants from wastewater and selective organic transformations under ambient conditions. Chapter one of this book summarises recent advances on the characterisation and photocatalytic properties of well-defined ceria (CeO2) nanocrystals, including one-dimensional nanorods and three-dimensional nanocubes that are hydrothermally synthesised. Chapter two summarises recent advances on the characterisation and photocatalytic properties of well-defined perovskite potassium niobate (KNbO3) with different morphologies, and with emphasis on the effect of crystal structure on photoreactivity. The final chapter summarises fundamental principles of the design of solar-light-driven semiconductor-based photocatalytic systems for water splitting and H2 evolution from water and aqueous solutions of various electron-donating sacrificial substrates, the state-of-the-art in the development of such systems, perspectives and challenges in the field of the green and sustainable photocatalytic hydrogen production.

Sandra Haschke presents a strategy to enhance the Fe2O3 electrode performance by controlled nanostructuring of the catalyst surface, based on anodized aluminum oxide coated by means of atomic layer deposition. Furthermore, she investigates the influence of underlying conductive layers and post-deposition annealing on the electrode performance and the associated changes in morphology and chemical composition. Exploiting all effects combined delivers an increase in steady-state water oxidation throughput by a factor of 2.5 with respect to planar electrodes.

The series Topics in Organometallic Chemistry presents critical overviews of research results in organometallic chemistry. As our understanding of organometallic structure, properties and mechanisms increases, new ways are opened for the design of organometallic compounds and reactions tailored to the needs of such diverse areas as organic synthesis, medical research, biology and materials science. Thus the scope of coverage includes a broad range of topics in pure and applied organometallic chemistry, where new breakthroughs are being achieved that are of significance to a larger scientific audience. The individual volumes of Topics in Organometallic Chemistry are thematic. Review articles are generally invited by the volume editors.

Heterogeneously catalyzed selective oxidations of alcohols is a highly topical field. The first chapter of this brief describes the importance of the selective oxidation of alcohols and advantages of heterogeneous catalysts over conventional catalysts, use of environmentally benign oxidants, and the design of selective catalysts by tailoring of polyoxometalates at the molecular level. Chapter 2 describes synthesis, characterization 11-molybdophosphate based supported materials and their use as heterogeneous catalysts for oxidation of alcohols with molecular oxygen under solvent free mild reaction condition. ZrO2, Al2O3, MCM-41 and zeolite H were used as supports. Chapter 3 describes synthesis, characterization of transition metals (Mn, Co, Ni, Cu)- substituted phosphomolybdates and their use as heterogeneous catalysts for oxidation of alcohols with molecular oxygen under solvent free mild reaction condition. Chapter 4 describes conclusive remarks for present catalytic systems.

This thesis describes novel strategies for the rational design of several cutting-edge high-efficiency photocatalysts, for applications such as water photooxidation, reduction, and overall splitting using a Z-Scheme system. As such, it focuses on efficient strategies for reducing energy loss by controlling charge transfer and separation, including novel faceted forms of silver phosphate for water photooxidation at record high rates, surface-basic highly polymerised graphitic carbon nitride for extremely efficient hydrogen production, and the first example of overall water splitting using a graphitic carbon nitride-based Z-Scheme system. Photocatalytic water splitting using solar irradiation can potentially offer a zero-carbon renewable energy source, yielding hydrogen and oxygen as clean products. These two 'solar' products can be used directly in fuel cells or combustion to provide clean electricity or other energy. Alternatively they can be utilised as separate entities for feedstock-based reactions, and are considered to be the two cornerstones of hydrogenation and oxidation reactions, including the production of methanol as a safe/portable fuel, or conventional catalytic reactions such as Fischer-Tropsch synthesis and ethylene oxide production. The main driving force behind the investigation is the fact that no photocatalyst system has yet reported combined high efficiency, high stability, and cost effectiveness; though cheap and stable, most suffer from low efficiency.

In this book the authors describe how they reproduced the redox functions of biocatalysts artificially. It includes the introduction and discussion of synthetic reactions via electron transfer, hybrid -conjugated systems, and biorganometallic conjugates as novel redox systems. The work was conducted in pioneering fields based on redox systems, in synthetic organic chemistry, synthetic materials chemistry, and bioorganometallic chemistry. The step-by-step process is illustrated by the three major parts of the book: redox reactions (selective synthetic methods using metal-induced redox reactions), redox systems (design and redox function of conjugated complexes with polyanilines or quinonediimines and molecular bowl sumanene), and design of bioorganometallic conjugates to induce chirality-organized structures (bio-related structurally controlled systems). This systematic and up-to-date description will be of special interest to graduate students who are meeting the new challenges of chemistry, as well as to post-doctoral researchers and other practicing chemists in both academic and industrial settings.

The series Topics in Organometallic Chemistry presents critical overviews of research results in organometallic chemistry. As our understanding of organometallic structure, properties and mechanisms increases, new ways are opened for the design of organometallic compounds and reactions tailored to the needs of such diverse areas as organic synthesis, medical research, biology and materials science. Thus the scope of coverage includes a broad range of topics in pure and applied organometallic chemistry, where new breakthroughs are being achieved that are of significance to a larger scientific audience. The individual volumes of Topics in Organometallic Chemistry are thematic. Review articles are generally invited by the volume editors.

In his Master project Sven Herrmann for the first time carried out fundamental investigations into the development of polyoxometalate based ionic liquids (POM-ILs). The POM-ILs were obtained by charge balancing inorganic polyoxometalate (POM) anions with sterically demanding tetraalkylammonium or tetraalkylphosphonium cations. By functionalization of lacunary Keggin clusters with 3d-transition metals and charge balancing with tetraalkylammonium cations of differing chain length, a model system for the correlation of the molecular structure with macroscopic materials properties was obtained. In a systematic approach the syntheses via self-aggregation is presented. Analytic methods comprise UV-Vis, FTIR, NMR, EPR and Moessbauer spectroscopy. For determination of the materials properties TGA and DSC were carried out and rheological studies shed light onto the flow characteristics of the highly viscous materials.

Heterogeneous Enantioselective Hydrogenation: Theory and Practice reviews the development of enantioselective hydrogenation reaction catalysts. It looks at the first relatively ineffective catalysts right through to modern highly effective enantioselective catalytic systems, comparable in their efficiency to chiral metal complexes and enzymatic systems. The book begins with a summary of the first work on heterogeneous metal catalysts, which showed only the principal possibilities of enantioselective reactions. It then elaborates on metal catalysts which have enantioselectivities close to 100%. Finally, the practical utilization of chiral catalytic systems in processes of hydrogenation is described. The alpha- and beta-hydroxy carboxylic acid esters produced are precursors for manufacturing many synthones used for medicines as well as for monomers used for biodegradable polyesters, both of which have important practical applications. The volume summarizes more than 800 scientific papers in the field of enantioselective catalytic hydrogenation reactions, mainly those using heterogeneous metal catalysts. It provides detailed explanations of special techniques for the preparation of effective dissymmetric catalysts which provide highly efficient catalytic systems.

Urea-SCR Technology for deNOx After Treatment of Diesel Exhausts presents a complete overview of the selective catalytic reduction of NOx by ammonia/urea. The book starts with an illustration of the technology in the framework of the current context (legislation, market, system configurations), covers the fundamental aspects of the SCR process (catalysts, chemistry, mechanism, kinetics) and analyzes its application to useful topics such as modeling of full scale monolith catalysts, control aspects, ammonia injections systems and integration with other devices for combined removal of pollutants.

Successful industrial heterogeneous catalysts fulfill several key require ments: in addition to high catalytic activity for the desired reaction, with high selectivity where appropriate, they also have an acceptable commercial life and are rugged enough for transportation and charging into plant reactors. Additional requirements include the need to come online smoothly in a short time and reproducible manufacturing procedures that involve convenient processes at acceptable cost. The development of heterogeneous catalysts that meet these (often mutually exclusive) demands is far from straightforward, and in addition much of the actual manufacturing tech nology is kept secret for commercial reasons-thus there is no modern text that deals with the whole of this important subject. Principles of Catalyst Development, which deals comprehensively with the design, development, and manufacture of practical heterogeneous catalysts, is therefore especially valuable in meeting the long-standing needs of both industrialists and academics. As one who has worked extensively on a variety of catalyst development problems in both industry and academia, James T. Richardson is well placed to write an authoritative book covering both the theory and the practice of catalyst development. Much of the material contained in this book had its origin in a series of widely acclaimed lectures, attended mainly by industrial researchers, given over many years in the United States and Europe. All those in industry who work with catalysts, both beginners and those of considerable experience, should find this volume an essential guide."

This volume analyzes and summarizes recent developments and breakthroughs in several key interfacial electrochemical systems in fuel cell electrocatatalysis. The chapters are written by internationally recognized experts or rising stars in electrocatatalysis addressing both the fundamental and practical aspects of several emerging key electrochemical technologies.

The Role of Metals and Ligands in Organic Hydroformylation, by Luca Gonsalvi, Antonella Guerriero, Eric Monflier, Frederic Hapiot, Maurizio Peruzzini.

Hydroformylation in Aqueous Biphasic Media Assisted by Molecular Receptors, by Frederic Hapiot, Herve Bricout, Sebastien Tilloy, Eric Monflier.

Asymmetric Hydroformylation, by Bernabe F. Perandones, Cyril Godard, Carmen Claver.

Domino Reactions Triggered by Hydroformylation, by Elena Petricci, Elena Cini.

Rhodium-Catalyzed Hydroformylation in Fused Azapolycycles Synthesis, by Roberta Settambolo.

Hydroformylation in Natural Product Synthesis, by Roderick W. Bates, Sivarajan Kasinathan."

The series Topics in Organometallic Chemistry presents critical overviews of research results in organometallic chemistry. As our understanding of organometallic structure, properties and mechanisms increases, new ways are opened for the design of organometallic compounds and reactions tailored to the needs of such diverse areas as organic synthesis, medical research, biology and materials science. Thus the scope of coverage includes a broad range of topics in pure and applied organometallic chemistry, where new breakthroughs are being achieved that are of significance to a larger scientific audience. The individual volumes of Topics in Organometallic Chemistry are thematic. Review articles are generally invited by the volume editors.

This book describes the design, synthesis, characterization and applications of porous organic frameworks (POFs). Special emphasis is placed on the utilization of porous materials for CO2 capture and CH4 and H2 storage, which have promising potential for addressing the issues of environmental degradation and climate change. It also includes two chapters introducing the properties of POFs and defining the principles of synthesis, as well as a chapter dealing with post-modified POFs. This book is intended for those readers who are interested in porous materials and their applications. Guangshan Zhu is a professor at the College of Chemistry, Jilin University, China.

Prefaces are like speeches before the c- tain; they make even the most self-forgetful performers seem self-conscious. - William Allen Neilson The study of phenomena and processes at the phase boundaries of m- ter is the realm of the surface scientist. The tools of his trade are drawn from across the spectrum of the various scienti?c disciplines. It is therefore interesting that, in investigating the properties of such boundaries, the s- facist must transcend the interdisciplinary boundaries between the subjects themselves. In this respect, he harkens back to the days of renaissance man, when knowledge knew no boundaries, and was pursued simply for its own sake, in the spirit of enlightenment. Chemisorption is a gas-solid interface problem, involving the inter- tion of a gas atom with a solid surface via a charge-transfer process, during which a chemical bond is formed. Because of its importance in such areas as catalysis and electronic-device fabrication, the subject of chemisorption is of interest to a wide range of surfacists in physics, chemistry, materials science, as well as chemical and electronic engineering. As a result, a vast lite- ture has been created, though, despite this situation, there is a surprising scarcity of books on the subject. Moreover, those that are available tend to be experimentally oriented, such as, Chemisorption: An Experimental - proach (Wedler 1976). On the theoretical side, The Chemisorption Bond (Clark 1974) provides a good introduction, but is limited in not describing the more advanced techniques presently in use.