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Diverse Strategies For Catalytic Reactions
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Book Synopsis Diverse Strategies for Catalytic Reactions by : Goutam Kumar Patra
Download or read book Diverse Strategies for Catalytic Reactions written by Goutam Kumar Patra and published by Bentham Science Publishers. This book was released on 2023-09-22 with total page 207 pages. Available in PDF, EPUB and Kindle. Book excerpt: Diverse Strategies for Catalytic Reactions is a compelling exploration of catalysis, a cornerstone in chemical sciences that has propelled the evolution of chemical manufacturing at the industrial scale. Highlighting the distinctive characteristics of catalysis, the book delves into pivotal topics and subfields. It underscores the revolutionary role catalysis plays in novel design, synthesis, and energy-efficient development, while minimizing side products, promoting atom economy, and embracing green chemistry principles. The comprehensive contents of this book include an array of chapters by experts, each addressing a specific catalytic approach, such as recent advances in electrocatalysis, nano-catalysis for selective oxidation, micellar catalysis, green catalysts, and more. Each of the 7 book chapters includes a summary and list of references for a broad range of readers. Readers will understand the range of chemical engineering strategies that are used to speed up reactions and synthesize molecules of interest. With its rich insights and practical applications, this book serves as an invaluable reference for graduate students, researchers, and professionals across academic and industrial domains.
Book Synopsis Asymmetric Organocatalysis by : Lukasz Albrecht
Download or read book Asymmetric Organocatalysis written by Lukasz Albrecht and published by John Wiley & Sons. This book was released on 2022-11-10 with total page 1092 pages. Available in PDF, EPUB and Kindle. Book excerpt: Asymmetric Organocatalysis Comprehensive resource on the latest and most important developments in the highly vivid field of asymmetric organocatalysis The book provides a comprehensive overview of the most important advancements in the field of asymmetric organocatalysis that have occurred within the last decade. It presents valuable examples of newly developed synthetic methodologies based on various organocatalytic activation modes. Special emphasis is given to strategies where organocatalysis is expanding its potential by pushing the boundaries and founding new synergistic interactions with other fields of synthetic chemistry, such as metal catalysis, photocatalysis, and biocatalysis. The application of different concepts (such as vinylogy, dearomatization, or cascade reactivity), resulting in the development of new functionalization strategies, is also discussed. Sample topics covered within the book include: New developments in enantioselective Brønsted acid catalysis with strong hydrogen-bond donors Asymmetric phase-transfer catalysis, from classical applications to new concepts Halogen-bonding organocatalysis Asymmetric electrochemical organocatalysis and synergistic organo-organocatalysis Immobilized organocatalysts for enantioselective continuous flow processes Mechanochemistry and high-pressure techniques in asymmetric organocatalysis Useful tools in elucidation of organocatalytic reaction mechanisms With an overall focus on new reactions and catalysts, this two-volume work is an indispensable source for everyone working in the field of asymmetric organocatalysis.
Book Synopsis Fundamentals and Prospects of Catalysis by : Goutam Kumar Patra
Download or read book Fundamentals and Prospects of Catalysis written by Goutam Kumar Patra and published by Bentham Science Publishers. This book was released on 2020-09-21 with total page 215 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalysis is an area of chemical sciences which has fascinated a wide range of academicians, researchers, chemical technologists and industries throughout the world. Progress in this field has been made owing to the thrust provided by this research and commercial interest. The field of catalysis is interdisciplinary by its nature, as it requires knowledge of organic synthesis, coordination and organometallic chemistry, reaction kinetics and mechanisms, stereochemical concepts and materials science. Fundamentals and Prospects of Catalysis highlights many important topics and sub-disciplines in catalysis by presenting 7 chapters on different but varied catalytic processes. This volume presents the following topics:· Organocatalytic Asymmetric Synthesis of Spiroacetals and Bridged Acetals· Design and Development of Bimetallic Enantioselective Salen Co Catalysts for The Hydrolytic Kinetic Resolution of Terminal Epoxides· Recent Trend in Asymmetric Heterogeneous Flow Catalysis· Ball Milling: A Green Tool in Synthetic Organic Chemistry· Recent Advances in the Developments of Enantioselective Electrophilic Fluorination Reactions via Organocatalysis· Green and Sustainable Biocatalytic Routes to Prepare Biobased Polyols as Precursors for Polyurethanes with Comparison of Existing Biobased Polyol Technology· Polymers Used as Catalysts
Book Synopsis Bridging Heterogeneous and Homogeneous Catalysis by : Can Li
Download or read book Bridging Heterogeneous and Homogeneous Catalysis written by Can Li and published by John Wiley & Sons. This book was released on 2014-04-03 with total page 860 pages. Available in PDF, EPUB and Kindle. Book excerpt: There are two main disciplines in catalysis research -- homogeneous and heterogeneous catalysis. This is due to the fact that the catalyst is either in the same phase (homogeneous catalysis) as the reaction being catalyzed or in a different phase (heterogeneous catalysis). Over the past decade, various approaches have been implemented to combine the advantages of homogeneous catalysis (efficiency, selectivity) with those of heterogeneous catalysis (stability, recovery) by the heterogenization of homogeneous catalysts or by carrying out homogeneous reactions under heterogeneous conditions. This unique handbook fills the gap in the market for an up-to-date work that links both homogeneous catalysis applied to organic reactions and catalytic reactions on surfaces of heterogeneous catalysts. As such, it highlights structural analogies and shows mechanistic parallels between the two, while additionally presenting kinetic analysis methods and models that either work for both homogeneous and heterogeneous catalysis. Chapters cover asymmetric, emulsion, phase-transfer, supported homogeneous, and organocatalysis, as well as in nanoreactors and for specific applications, catalytic reactions in ionic liquids, fluorous and supercritical solvents and in water. Finally, the text includes computational methods for investigating structure-reactivity relations. With its wealth of information, this invaluable reference provides academic and industrial chemists with novel concepts for innovative catalysis research.
Book Synopsis Cooperative Catalysis by : René Peters
Download or read book Cooperative Catalysis written by René Peters and published by John Wiley & Sons. This book was released on 2015-04-27 with total page 452 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by experts in the field, this is a much-needed overview of the rapidly emerging field of cooperative catalysis. The authors focus on the design and development of novel high-performance catalysts for applications in organic synthesis (particularly asymmetric synthesis), covering a broad range of topics, from the latest progress in Lewis acid / Br?nsted base catalysis to e.g. metal-assisted organo catalysis, cooperative metal/enzyme catalysis, and cooperative catalysis in polymerization reactions and on solid surfaces. The chapters are classified according to the type of cooperating activating groups, and describe in detail the different strategies of cooperative activation, highlighting their respective advantages and pitfalls. As a result, readers will learn about the different concepts of cooperative catalysis, their corresponding modes of operation and their applications, thus helping to find a solution to a specific synthetic catalysis problem.
Book Synopsis The Microkinetics of Heterogeneous Catalysis by : J. A. Dumesic
Download or read book The Microkinetics of Heterogeneous Catalysis written by J. A. Dumesic and published by Wiley-VCH. This book was released on 1993-04-20 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: Defines the emerging field of catalytic reaction synthesis in the search for new catalysts and catalytic processes. Illustrates how experimental data from diverse sources can be consolidated to form a quantitative description of the essential chemistry taking place on the catalyst surface. Elucidates the possible relationships between catalyst kinetic properties and surface chemical bonding properties. Offers examples of microkinetic analysis and catalytic reaction synthesis for a variety of catalytic reactions over metals, oxides, and zeolite catalysts. Illustrates the underlying strategy used to formulate a microkinetic model, calibrate the model to the existing experimental data, and assess the critical aspects of the essential surface chemistry involved in the catalytic process.
Book Synopsis Catalytic Cascade Reactions by : Peng-Fei Xu
Download or read book Catalytic Cascade Reactions written by Peng-Fei Xu and published by John Wiley & Sons. This book was released on 2013-11-11 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: Demonstrates the advantages of catalytic cascade reactions for synthesizing natural products and pharmaceuticals Riding the wave of green chemistry, catalytic cascade reactions have become one of the most active research areas in organic synthesis. During a cascade reaction, just one reaction solvent, one workup procedure, and one purification step are needed, thus significantly increasing synthetic efficiency. Featuring contributions from an international team of pioneers in the field, Catalytic Cascade Reactions demonstrates the versatility and application of these reactions for synthesizing valuable compounds. The book examines both organocatalysis and transition-metal catalysis reactions, bringing readers up to date with the latest discoveries and activities in all major areas of catalytic cascade reaction research. Catalytic Cascade Reactions begins with three chapters dedicated to organocatalytic cascade reactions, exploring amines, Brønsted acids, and the application of organocatalytic cascade reactions in natural product synthesis and drug discovery. Next, the book covers: Gold-catalyzed cascade reactions Cascade reactions catalyzed by ruthenium, iron, iridium, rhodium, and copper Palladium-catalyzed cascade reactions of alkenes, alkynes, and allenes Application of transition-metal catalyzed cascade reactions in natural product synthesis and drug discovery Engineering mono- and multifunctional nanocatalysts for cascade reactions Multiple-catalyst-promoted cascade reactions All chapters are thoroughly referenced, providing quick access to important original research findings and reviews so that readers can explore individual topics in greater depth. Drawing together and analyzing published findings scattered across the literature, this book provides a single source that encapsulates our current understanding of catalytic cascade processes. Moreover, it sets the stage for the development of new catalytic cascade reactions and their applications.
Download or read book Mechanisms of Catalysis written by and published by Academic Press. This book was released on 1991-01-28 with total page 471 pages. Available in PDF, EPUB and Kindle. Book excerpt: The remarkable expansion of information leading to a deeper understanding of enzymes on the molecular level necessitated the development of this volume which not only introduces new topics to The Enzymes series but presents new information on some covered in Volume I and II of this edition.
Book Synopsis Catalysis Looks to the Future by : National Research Council
Download or read book Catalysis Looks to the Future written by National Research Council and published by National Academies Press. This book was released on 1992-02-01 with total page 97 pages. Available in PDF, EPUB and Kindle. Book excerpt: The impact of catalysis on the nation's economy is evidenced by the fact that catalytic technologies generate U.S. sales in excess of $400 billion per year and a net positive balance of trade of $16 billion annually. This book outlines recent accomplishments in the science and technology of catalysis and summarizes important likely challenges and opportunities on the near horizon. It also presents recommendations for investment of financial and human resources by industry, academe, national laboratories, and relevant federal agencies if the nation is to maintain continuing leadership in this fieldâ€"one that is critical to the chemical and petroleum processing industries, essential for energy-efficient means for environmental protection, and vital for the production of a broad range of pharmaceuticals.
Book Synopsis Formal Ontology in Information Systems by : Achille C. Varzi
Download or read book Formal Ontology in Information Systems written by Achille C. Varzi and published by IOS Press. This book was released on 2004 with total page 380 pages. Available in PDF, EPUB and Kindle. Book excerpt: Just as ontology developed over the centuries as part of philosophy, so in recent years ontology has become intertwined with the development of the information sciences. Researchers in such areas as artificial intelligence, formal and computational linguistics, biomedical informatics, conceptual modeling, knowledge engineering and information retrieval have come to realize that a solid foundation for their research calls for serious work in ontology, understood as a general theory of the types of entities and relations that make up their respective domains of inquiry. In all these areas, attention has started to focus on the content of information rather than on just the formats and languages in terms of which information is represented. A clear example of this development is provided by the many initiatives growing up around the project of the Semantic Web. And as the need for integrating research in these different fields arises, so does the realization that strong principles for building well-founded ontologies might provide significant advantages over ad hoc, case-based solutions.The tools of Formal Ontology address precisely these needs, but a real effort is required in order to apply such philosophical tools to the domain of Information Systems. Reciprocally, research in the information science raises specific ontological questions which call for further philosophical investigations.
Book Synopsis Sustainable Catalysis by : Rafael Luque
Download or read book Sustainable Catalysis written by Rafael Luque and published by John Wiley & Sons. This book was released on 2018-05-07 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: Highlighting sustainable catalytic processes in synthetic organic chemistry and industry, this useful guide places special emphasis on catalytic reactions carried out at room temperature. It describes the fundamentals, summarizes key advances, and covers applications in industrial processes in the field of energy generation from renewables, food science, and pollution control. Throughout, the latest research from various disciplines is combined, such as homogeneous and heterogeneous catalysis, biocatalysis, and photocatalysis. The book concludes with a chapter on future trends and energy challenges for the latter half of the 21st century. With its multidisciplinary approach this is an essential reference for academic and industrial researchers in catalysis science aiming to design more sustainable and energy-efficient processes.
Book Synopsis Asymmetric Catalysis by : B. Bosnich
Download or read book Asymmetric Catalysis written by B. Bosnich and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 169 pages. Available in PDF, EPUB and Kindle. Book excerpt: The rate of advance in areas of science is seldom constant. Usually certain fields effloresce with activity because of the ~ealization that solutions are possible to long standing important problems. So it is now with asymmetric catalysis, a field which promises to change profoundly the strategic thinking of synthetic chemists. As this Report will show, reagents which can induce catalytic enantiocontrol of chemical transformations could represent the ultimate synthetic method. Nearly all synthetic strategies of complex molecules involve steps which require enantiocontrol and, in many cases, a specific catalytic transformation embodying enan tiocontrol has enormous advantages in terms of the rate and economy of the reaction. Because asymmetric catalysis is in a formative stage, workers with different backgrounds have joined the field. This Workshop had representatives with organometallic, organic, structural, kinetic, enzymatic, microbiological and industrial backgrounds. Each had his own perspective and this Report represents a consensus of this group of eleven people. The result is probably as compre hensive and balanced a view of the subject as is possible at present. It is hoped that those who have until now had but a glancing interest in asymmetric catalysis will find this Report a useful indication of its present state. We believe that asymmetric catalysis will have an increasing impact on the development of chemistry and will eventually dominate much of synthetic and industrial chemistry.
Book Synopsis Elementary Reaction Steps in Heterogeneous Catalysis by : R.W. Joyner
Download or read book Elementary Reaction Steps in Heterogeneous Catalysis written by R.W. Joyner and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 482 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book comprises the proceedings of a NATO sponsored Advanced Research Workshop held from 1st November to 6th November 1992 in the delightful Chateau de Florans, Bedoin, Vaucluse, France and entitled 'Elementary Reaction Steps in Heterogeneous Catalysis. ' The organisers are grateful to the Science Committee of NATO for their support of this meeting. This is believed to be the first wide ranging NATO ARW in the field of heterogeneous catalysis for 20 years, following a previous venture organised in Sardinia by Basolo and Burwell, of Northwestern University, Illinois, USA [1]. This volume collects the lecture presentations and reports on the lively Panel discussions. The idea for the meeting evolved from a series of International Symposia on Quantum Chemistry and Mechanism in Heterogeneous Catalysis. The first of these was held in Lyon, France in 1986, the second in Krakow, Poland in 1988 and the third in Berkeley, California in 1990. The organising committee of the present meeting was Bernard Bigot, France, Tony Farragher, Netherlands, Richard Joyner, UK, Mme. Danielle Olivier, France, and Rutger van Santen, Netherlands, (Chairman). We wish to thank all members of the committee but in particular Bernard Bigot, who undertook the very extensive work involved in the local organisation with consummate skill and made our stay in Provence a great pleasure. Bernard Bigot's secretary, Mme. Marie-Noelle Coscat and Richard Joyner's secretary, Mrs. Pat Gibbs, also deserve our considerable thanks. There were fifty-four participants from eleven countries.
Book Synopsis Computational Approaches to Understand the Atomistic Drivers of Enzyme Catalysis by : Natasha Seelam
Download or read book Computational Approaches to Understand the Atomistic Drivers of Enzyme Catalysis written by Natasha Seelam and published by . This book was released on 2021 with total page 213 pages. Available in PDF, EPUB and Kindle. Book excerpt: Enzymes readily perform chemical reactions several orders of magnitude faster than their uncatalyzed versions in ambient conditions with high specificity, making them attractive design targets for industrial purposes. Traditionally, enzyme reactivity has been contextualized through transition-state theory (TST), in which catalytic strategies are described by their ability to minimize the activation energy to cross the reaction barrier through a combination of ground-state destabilization (GSD) and transition-state stabilization (TSS). While excellent progress has been made to rationally design enzymes, the complexity of the design space and the highly optimized nature of enzymes make general application of these approaches difficult. This thesis presents a set of computational methods and applications in order to investigate the larger perspective of enzyme-assisted kinetic processes. For the first part of the thesis, we analyzed the energetics and dynamics of proficient catalyst orotidine 5'-monophosphate decarboxylase (OMPDC), an enzyme that catalyzes decarboxylation nearly 17 orders of magnitude more proficiently than the uncatalyzed reaction in aqueous solvent. Potential-of-mean-force (PMF) calculations on wild type (WT) and two catalytically hindered mutants, S127A and V155D (representing TSS and GSD, respectively), characterized the energy barriers associated with decarboxylation as a function of two parameters: the distance between the breaking C–C bond and a proton-transfer coordinate from the nearby side chain of K72, a conserved lysine in the active site. Coupling PMF analyses with transition path sampling (TPS) approaches revealed two distinct decarboxylation strategies: a simultaneous, K72-assisted pathway and a stepwise, relatively K72-independent pathway. Both PMF and TPS rate calculations reasonably reproduced the empirical differences in relative rates between WT and mutant systems, suggesting these approaches can enable in silico inquiry into both pathway and mechanism identification in enzyme kinetics. For the second study, we investigated the electronic determinants of reactivity, using the enzyme ketol-acid reductoisomerase (KARI). KARI catalyzes first a methyl isomerization and then reduction with an active site comprised of several polar residues, two magnesium divalent cations, and NADPH. This study focused on isomerization, which is rate limiting, with two objectives: characterization of chemical mechanism in successful catalytic events (“reactive”) versus failed attempts to cross the barrier ("non-reactive"), and the interplay between atomic positions, electronic descriptors, and reactivity. Natural bonding orbital (NBO) analyses provided detailed electronic description of the dynamics through the reaction and revealed that successful catalytic events crossed the reaction barrier through a 3-center-2-electron (3C) bond, concurrent to isomerization of hydroxyl/carbonyls on the substrate. Interestingly, the non-reactive ensemble adopted a similar electronic pathway as the reactive ensemble, but its members were generally unable to form and sustain the 3C bond. Supervised machine learning classifiers then identified small subsets of geometric and electronic descriptors, “features”, that predicted reactivity; our results indicated that fewer electronic features were able to predict reactivity as effectively as a larger set of geometric features. Of these electronic features, the models selected diverse descriptors representing several facets of the chemical mechanism (charge, breaking–bond order, atomic orbital hybridization states, etc.). We then inquired how geometric features reported on electronic features with classifiers that leveraged pairs of geometric features to predict the relative magnitude of each electronic feature. Our findings indicated that the geometric, pair-feature models predicted electronic structure with comparable performance as cumulative geometric models, suggesting small subsets of features were capable of reporting on electronic descriptors, and that different subsets could be leveraged to describe various aspects of a chemical mechanism. Lastly, we revisited OMPDC in order to learn the key geometric features that distinguished between the simultaneous and stepwise pathways of decarboxylation, aggregating and labeling pathways drawn from WT and mutant systems ensembles. We leveraged classifiers that predicted between reactive pathways by selecting small subsets of structural features from 620 geometric features comprised of atoms from the active site. The classifiers performed comparably, with greater than 80% testing accuracy and AUC, between times starting from in the reactant basin to 30 fs into crossing the reaction barrier. Remarkably, model-selected features reported on chemically meaningful interactions despite no explicit prior knowledge of the mechanism in training. To illustrate this, we focused analyses on two particular features shown to be predictive while in the reactant basin, prior to crossing the barrier: a potential hydrogen-bond between D75*, an aspartate in the active site, and the 2'-hydroxyl of OMP, and electrostatic repulsion through the proximity of a different aspartate, D70, to the leaving group carboxylate of OMP. Analysis between the simultaneous and stepwise ensembles demonstrated that the simultaneous ensemble adopted shorter distances for both features, generally suggesting stronger interactions. Both features were additionally shown to be associated with the ability to distort the planarity of the orotidyl ring, where shorter distances for either feature were correlated with larger degrees of distortion. Taken together, this suggested the simultaneous ensemble was more effective at distorting the ground state structure prior to crossing the reaction barrier.
Book Synopsis Catalysis in Electrochemistry by : Elizabeth Santos
Download or read book Catalysis in Electrochemistry written by Elizabeth Santos and published by John Wiley & Sons. This book was released on 2011-07-26 with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalysis in Electrochemistry: From Fundamental Aspects to Strategies for Fuel Cell Development is a modern, comprehensive reference work on catalysis in electrochemistry, including principles, methods, strategies, and applications. It points out differences between catalysis at gas/surfaces and electrochemical interfaces, along with the future possibilities and impact of electrochemical science on energy problems. This book contributes both to fundamental science; experience in the design, preparation, and characterization of electrocatalytic materials; and the industrial application of electrocatalytic materials for electrochemical reactions. This is an essential resource for scientists globally in academia, industry, and government institutions.
Book Synopsis Catalysis in Confined Frameworks by : Hermenegildo Garcia
Download or read book Catalysis in Confined Frameworks written by Hermenegildo Garcia and published by John Wiley & Sons. This book was released on 2023 with total page 501 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding the synthesis and applications of porous solid catalysts Heterogeneous catalysis is a catalytic process in which catalysts and reactants exist in different phases. Heterogeneous catalysis with solid catalysts proceeds through the absorption of substrates and reagents which are liquid or gas, and this is largely dependent on the accessible surface area of the solid which can generate active reaction sites. The synthesis of porous solids is an increasingly productive approach to generating solid catalysts with larger accessible surface area, allowing more efficient catalysis. Catalysis in Confined Frameworks: Synthesis, Characterization, and Applications provides a comprehensive overview of synthesis and use of porous solids as heterogeneous catalysts. It provides detailed analysis of pore engineering, a thorough characterization of the advantages and disadvantages of porous solids as heterogeneous catalysts, and an extensive discussion of applications. The result is a foundational introduction to a cutting-edge field. Catalysis in Confined Frameworks: Synthesis, Characterization, and Applications readers will also find: An editorial team comprised of international experts with extensive experience Detailed discussion of catalyst classes including zeolites, mesoporous aluminosilicates, and more A special focus on size selective catalysis Catalysis in Confined Frameworks: Synthesis, Characterization, and Applications is an essential reference for catalytic chemists, organic chemists, materials scientists, physical chemists, and any researchers or industry professionals working with heterogeneous catalysis.
Book Synopsis Soft Matters for Catalysts by : Qingmin Ji
Download or read book Soft Matters for Catalysts written by Qingmin Ji and published by CRC Press. This book was released on 2019-09-25 with total page 354 pages. Available in PDF, EPUB and Kindle. Book excerpt: With the increasing demand for optimization of energy storage, maintenance of the environment, and effective production, control on nanostructures of catalysts and optimization of their organization have become key to achieving high efficiency and specificity in energy and material conversion systems. This book emphasizes and summarizes the novel design of soft matters (molecules, polymers, assembled motifs, etc.) for nanocatalysts and nanocatalyst supports. The diversity or specialty of soft matters offers a new perspective and great promise for the development of new nanocatalytic systems for future requirements. Soft matters can provide a simple and well-defined space for the discovery of new catalysts. This book covers nonmetallic organocatalysts, organometallic compounds, dendrimers, ionic liquids, enzymes, polymers, various organized nanoarchitectures for supporting catalysts, and molecular dynamics in catalytic surface reactions. It gives readers a complete picture of the catalysis systems based on soft matters and is a useful reference for advanced undergraduate- and graduate-level students and researchers in chemistry, biology, materials science, nanoscience, polymer science, and catalysis.