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Author: Goutam Kumar Patra
Publisher: Bentham Science Publishers
ISBN: 9815079042
Category : Science
Languages : en
Pages : 207
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Book Description
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.
Author: Goutam Kumar Patra
Publisher: Bentham Science Publishers
ISBN: 9815079042
Category : Science
Languages : en
Pages : 207
Get Book Here
Book Description
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.
Author: Goutam Kumar Patra
Publisher: Bentham Science Publishers
ISBN: 9811458499
Category : Science
Languages : en
Pages : 215
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Book Description
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
Author: Lukasz Albrecht
Publisher: John Wiley & Sons
ISBN: 3527832203
Category : Technology & Engineering
Languages : en
Pages : 1092
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Book Description
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.
Author: Can Li
Publisher: John Wiley & Sons
ISBN: 3527675922
Category : Technology & Engineering
Languages : en
Pages : 860
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Book Description
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.
Author: René Peters
Publisher: John Wiley & Sons
ISBN: 3527336893
Category : Technology & Engineering
Languages : en
Pages : 452
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Book Description
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.
Author:
Publisher: Academic Press
ISBN: 0080865968
Category : Technology & Engineering
Languages : en
Pages : 471
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Book Description
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.
Author: National Research Council
Publisher: National Academies Press
ISBN: 0309045843
Category : Science
Languages : en
Pages : 97
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Book Description
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.
Author: Xiaoyu Wang
Publisher: Springer
ISBN: 3662530686
Category : Technology & Engineering
Languages : en
Pages : 134
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Book Description
This book describes the fundamental concepts, the latest developments and the outlook of the field of nanozymes (i.e., the catalytic nanomaterials with enzymatic characteristics). As one of today’s most exciting fields, nanozyme research lies at the interface of chemistry, biology, materials science and nanotechnology. Each of the book’s six chapters explores advances in nanozymes. Following an introduction to the rise of nanozymes research in the course of research on natural enzymes and artificial enzymes in Chapter 1, Chapters 2 through 5 discuss different nanomaterials used to mimic various natural enzymes, from carbon-based and metal-based nanomaterials to metal oxide-based nanomaterials and other nanomaterials. In each of these chapters, the nanomaterials’ enzyme mimetic activities, catalytic mechanisms and key applications are covered. In closing, Chapter 6 addresses the current challenges and outlines further directions for nanozymes. Presenting extensive information on nanozymes and supplemented with a wealth of color illustrations and tables, the book offers an ideal guide for readers from disparate areas, including analytical chemistry, materials science, nanoscience and nanotechnology, biomedical and clinical engineering, environmental science and engineering, green chemistry, and novel catalysis.
Author: Elizabeth Santos
Publisher: John Wiley & Sons
ISBN: 0470934735
Category : Science
Languages : en
Pages : 548
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Book Description
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.
Author: Natasha Seelam
Publisher:
ISBN:
Category :
Languages : en
Pages : 213
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Book Description
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.
