Download or read book Combined Spectroscopic and Computational Studies of Free and Enzyme bound B12 Species written by Laura Dynan Elmendorf and published by . This book was released on 2023 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vitamin B12 and its derivatives, known collectively as cobalamins (Cbls) or the B12 family, play an essential role in catalyzing a diverse range of reactions across all areas of life. Understanding the versatile reactivity of these cofactors requires a detailed understanding of their geometric and electronic structures, as well as how these change upon enzyme binding and the addition of substrates. Spectroscopic techniques like electronic absorption, resonance Raman (rRaman), and magnetic circular dichroism spectroscopies are invaluable in this area, particularly when combined with computational techniques such as density functional theory that can bridge the gap between spectral features and structural implications. This dissertation presents a collection of projects that used these methods to delve into the properties and reactivity of free and enzyme-bound B12 species, as well as the mononuclear non-heme iron enzyme cysteamine dioxygenase (ADO). This work includes a study of vibronic coupling in vitamin B12, which afforded new insight into the choice of functional for quantum mechanical modeling of B12 and enabled the identification of the elusive Co-C stretching mode in this molecule's rRaman spectrum. It also includes an investigation of Co-C bond activation in ethanolamine ammonia-lyase (EAL), an adenosylcobalamin (AdoCbl)-dependent enzyme that catalyzes the conversion of ethanolamine to acetaldehyde and an ammonium ion. As with other AdoCbl-dependent enzymes, EAL's catalytic cycle begins with homolytic cleavage of the cofactor's Co-C bond, and the rate of homolysis is increased by 12 orders of magnitude when the cofactor is enzyme-bound in the presence of substrate. We identified conformational changes and cofactor-protein electrostatic interactions that occur upon substrate binding as key factors for promoting controlled and dramatically accelerated Co-C bond homolysis. Finally, two computational studies of PduO-type adenosyltransferases (ATRs), one with the native cobalamin substrate and the other with a rhodium-substituted analogue, explored key steps of the enzyme's catalytic cycle.
Download or read book Spectroscopic and Computational Studies of Adenosylcobalamin dependent Enzymes and Their B12 Cofactors written by Amanda June Brooks and published by . This book was released on 2006 with total page 450 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Coenzyme B12 Enzymes Part B written by and published by Academic Press. This book was released on 2022-05-27 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: Coenzyme B12 Enzymes, Part B, Volume 169 in the Methods in Enzymology series, highlights new advances in the field, with this new volume presenting interesting chapters on Structural characterization of cobalamin-dependent radical SAM methylases, Purification and characterization of sequential cobalamin-dependent radical SAM methylases ThnK and TokK in -lactam antibiotic biosynthesis, Characterization of the cobalamin-dependent radical S-adenosyl-L-methionine enzyme C-methyltransferase Fom3 in fosfomycin biosynthesis, Studies of OxsB and GenK, two B12-dependent radical SAM enzymes involved in natural product biosynthesis, Purification and structural elucidation of the cobalamin-dependent radical SAM enzyme OxsB, and more. Other chapters discuss Methods for studying the mechanisms of B12 enzymes, Computational investigations of B12 dependent enzymatic reactions, Using kinetic isotope effects to probe the mechanisms of adenosylcobalamin-dependent enzymes, Steady-state and pre-steady state kinetic analysis of ornithine 4,5-aminomutase, and more. Provides the authority and expertise of leading contributors from an international board of authors Presents the latest release in Methods in Enzymology series Includes the latest information on B12 Enzymes
Download or read book Computational Inorganic and Bioinorganic Chemistry written by Edward I. Solomon and published by John Wiley & Sons. This book was released on 2013-02-19 with total page 980 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the past several decades there have been major advances in our ability to computationally evaluate the electronic structure of inorganic molecules, particularly transition metal systems. This advancement is due to the Moore’s Law increase in computing power as well as the impact of density functional theory (DFT) and its implementation in commercial and freeware programs for quantum chemical calculations. Improved pure and hybrid density functionals are allowing DFT calculations with accuracy comparable to high-level Hartree-Fock treatments, and the results of these calculations can now be evaluated by experiment. When calculations are correlated to, and supported by, experimental data they can provide fundamental insight into electronic structure and its contributions to physical properties and chemical reactivity. This interplay continues to expand and contributes to both improved value of experimental results and improved accuracy of computational predictions. The purpose of this EIC Book is to provide state-of-the-art presentations of quantum mechanical and related methods and their applications, written by many of the leaders in the field. Part 1 of this volume focuses on methods, their background and implementation, and their use in describing bonding properties, energies, transition states and spectroscopic features. Part 2 focuses on applications in bioinorganic chemistry and Part 3 discusses inorganic chemistry, where electronic structure calculations have already had a major impact. This addition to the EIC Book series is of significant value to both experimentalists and theoreticians, and we anticipate that it will stimulate both further development of the methodology and its applications in the many interdisciplinary fields that comprise modern inorganic and bioinorganic chemistry. This volume is also available as part of Encyclopedia of Inorganic Chemistry, 5 Volume Set. This set combines all volumes published as EIC Books from 2007 to 2010, representing areas of key developments in the field of inorganic chemistry published in the Encyclopedia of Inorganic Chemistry. Find out more.
Download or read book Journal written by American Chemical Society and published by . This book was released on 2004 with total page 1450 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Spectroscopic and Computational Insights Into the Cofactor Activation Mechanism of Cobalamin dependent Methionine Synthase written by Matthew D. Liptak and published by . This book was released on 2008 with total page 250 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Comprehensive Inorganic Chemistry II written by and published by Newnes. This book was released on 2013-07-23 with total page 7694 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive Inorganic Chemistry II, Nine Volume Set reviews and examines topics of relevance to today’s inorganic chemists. Covering more interdisciplinary and high impact areas, Comprehensive Inorganic Chemistry II includes biological inorganic chemistry, solid state chemistry, materials chemistry, and nanoscience. The work is designed to follow on, with a different viewpoint and format, from our 1973 work, Comprehensive Inorganic Chemistry, edited by Bailar, Emeléus, Nyholm, and Trotman-Dickenson, which has received over 2,000 citations. The new work will also complement other recent Elsevier works in this area, Comprehensive Coordination Chemistry and Comprehensive Organometallic Chemistry, to form a trio of works covering the whole of modern inorganic chemistry. Chapters are designed to provide a valuable, long-standing scientific resource for both advanced students new to an area and researchers who need further background or answers to a particular problem on the elements, their compounds, or applications. Chapters are written by teams of leading experts, under the guidance of the Volume Editors and the Editors-in-Chief. The articles are written at a level that allows undergraduate students to understand the material, while providing active researchers with a ready reference resource for information in the field. The chapters will not provide basic data on the elements, which is available from many sources (and the original work), but instead concentrate on applications of the elements and their compounds. Provides a comprehensive review which serves to put many advances in perspective and allows the reader to make connections to related fields, such as: biological inorganic chemistry, materials chemistry, solid state chemistry and nanoscience Inorganic chemistry is rapidly developing, which brings about the need for a reference resource such as this that summarise recent developments and simultaneously provide background information Forms the new definitive source for researchers interested in elements and their applications; completely replacing the highly cited first edition, which published in 1973
Download or read book Chemistry and Biochemistry of B12 written by Ruma Banerjee and published by John Wiley & Sons. This book was released on 1999-11-03 with total page 960 pages. Available in PDF, EPUB and Kindle. Book excerpt: A Definitive New Reference for the Latest Advances in B_12 Chemistry and Biochemistry Over the past decade, the field of B_12 research has been revolutionized by such major breakthroughs as the unraveling of the entire biosynthetic pathway for this important vitamin. This comprehensive compendium surveys the wealth of information that has accumulated, covering in one volume virtually all aspects of the field-from physical and inorganic chemistry to enzymology, microbiology, medicine, and diagnostic and therapeutic applications. Edited by Dr. Ruma Banerjee, a highly respected and active member of the B_12 community, this work provides B_12 researchers with a dependable and up-to-date reference on the subject. Leading authorities from five continents explore such new areas as the structural biology of B_12-dependent enzymes, free-radical-mediated reaction mechanisms, biosynthesis, and much more. The role of B_12 in nutrition and disease, and B_12 transport, are also thoroughly examined. Complete with color illustrations and extensive references, Chemistry and Biochemistry of B_12 is a one-of-a-kind resource for biochemists, biophysicists, spectroscopists, microbiologists, molecular biologists, and anyone with an interest in "nature's most beautiful cofactor."
Download or read book Molecular Biology of the Cell written by and published by . This book was released on 2002 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Comprehensive Natural Products III written by and published by Elsevier. This book was released on 2020-07-22 with total page 4266 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive Natural Products III, Third Edition, Seven Volume Set updates and complements the previous two editions, including recent advances in cofactor chemistry, structural diversity of natural products and secondary metabolites, enzymes and enzyme mechanisms and new bioinformatics tools. Natural products research is a dynamic discipline at the intersection of chemistry and biology concerned with isolation, identification, structure elucidation, and chemical characteristics of naturally occurring compounds such as pheromones, carbohydrates, nucleic acids and enzymes. This book reviews the accumulated efforts of chemical and biological research to understand living organisms and their distinctive effects on health and medicine and to stimulate new ideas among the established natural products community. Provides readers with an in-depth review of current natural products research and a critical insight into the future direction of the field Bridges the gap in knowledge by covering developments in the field since the second edition published in 2010 Split into 7 sections on key topics to allow students, researchers and professionals to find relevant information quickly and easily Ensures that the knowledge within is easily understood by and applicable to a large audience
Download or read book Research Awards Index written by and published by . This book was released on with total page 1224 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Theoretical Biochemistry written by Leif A. Eriksson and published by Elsevier. This book was released on 2001-02-19 with total page 719 pages. Available in PDF, EPUB and Kindle. Book excerpt: Theoretical chemistry has been an area of tremendous expansion and development over the past decade; from an approach where we were able to treat only a few atoms quantum mechanically or make fairly crude molecular dynamics simulations, into a discipline with an accuracy and predictive power that has rendered it an essential complementary tool to experiment in basically all areas of science. This volume gives a flavour of the types of problems in biochemistry that theoretical calculations can solve at present, and illustrates the tremendous predictive power these approaches possess.A wide range of computational approaches, from classical MD and Monte Carlo methods, via semi-empirical and DFT approaches on isolated model systems, to Car-Parinello QM-MD and novel hybrid QM/MM studies are covered. The systems investigated also cover a broad range; from membrane-bound proteins to various types of enzymatic reactions as well as inhibitor studies, cofactor properties, solvent effects, transcription and radiation damage to DNA.
Download or read book Handbook of Porphyrin Science with Applications to Chemistry Physics Materials Science Engineering Biology and Medicine volume 5 written by Karl M. Kadish and published by World Scientific. This book was released on 2010 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is the first set of Handbook of Porphyrin Science.Porphyrins, phthalocyanines and their numerous analogues and derivatives are materials of tremendous importance in chemistry, materials science, physics, biology and medicine. They are the red color in blood (heme) and the green in leaves (chlorophyll); they are also excellent ligands that can coordinate with almost every metal in the Periodic Table. Grounded in natural systems, porphyrins are incredibly versatile and can be modified in many ways; each new modification yields derivatives demonstrated new chemistry, physics and biology, with a vast array of medicinal and technical applications.As porphyrins are currently employed as platforms for study of theoretical principles and applications in a wide variety of fields, the Handbook of Porphyrin Science represents a timely ongoing series dealing in detail with the synthesis, chemistry, physicochemical and medical properties and applications of polypyrrole macrocycles. Professors Karl Kadish, Kevin Smith and Roger Guilard are internationally recognized experts in the research field of porphyrins, each having his own separate area of expertise in the field. Between them, they have published over 1500 peer-reviewed papers and edited more than three dozen books on diverse topics of porphyrins and phthalocyanines. In assembling the new volumes of this unique Handbook, they have selected and attracted the very best scientists in each sub-discipline as contributing authors of the chaptersThis Handbook will prove to be a modern authoritative treatise on the subject as it is a collection of up-to-date works by world-renowned experts in the field. Complete with hundreds of figures, tables and structural formulas, and thousands of literature citations, all researchers and graduate students in this field will find the Handbook of Porphyrin Science an essential, major reference source for many years to come.
Download or read book Biomolecular EPR Spectroscopy written by Wilfred Raymond Hagen and published by CRC Press. This book was released on 2008-12-22 with total page 264 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive, Up-to-Date Coverage of Spectroscopy Theory and its Applications to Biological SystemsAlthough a multitude of books have been published about spectroscopy, most of them only occasionally refer to biological systems and the specific problems of biomolecular EPR (bioEPR). Biomolecular EPR Spectroscopy provides a practical introduction t
Download or read book Multiporphyrin Arrays written by Dongho Kim and published by CRC Press. This book was released on 2012-01-12 with total page 817 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive review of the fundamentals and applications of multiporphyrin arrays ranging from basic spectroscopic features to a wide range of promising applications such as molecular wires, switches, sensors, artificial photosynthetic devices, and dye-sensitized solar cells based on a variety of multiporphyrin architectures u
Download or read book Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design written by Sanjeev Kumar Singh and published by Springer Nature. This book was released on 2021-02-02 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents various computer-aided drug discovery methods for the design and development of ligand and structure-based drug molecules. A wide variety of computational approaches are now being used in various stages of drug discovery and development, as well as in clinical studies. Yet, despite the rapid advances in computer software and hardware, combined with the exponential growth in the available biological information, there are many challenges that still need to be addressed, as this book shows. In turn, it shares valuable insights into receptor-ligand interactions in connection with various biological functions and human diseases. The book discusses a wide range of phylogenetic methods and highlights the applications of Molecular Dynamics Simulation in the drug discovery process. It also explores the application of quantum mechanics in order to provide better accuracy when calculating protein-ligand binding interactions and predicting binding affinities. In closing, the book provides illustrative descriptions of major challenges associated with computer-aided drug discovery for the development of therapeutic drugs. Given its scope, it offers a valuable asset for life sciences researchers, medicinal chemists and bioinformaticians looking for the latest information on computer-aided methodologies for drug development, together with their applications in drug discovery.
Download or read book Feedback Systems written by Karl Johan Åström and published by Princeton University Press. This book was released on 2021-02-02 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The essential introduction to the principles and applications of feedback systems—now fully revised and expanded This textbook covers the mathematics needed to model, analyze, and design feedback systems. Now more user-friendly than ever, this revised and expanded edition of Feedback Systems is a one-volume resource for students and researchers in mathematics and engineering. It has applications across a range of disciplines that utilize feedback in physical, biological, information, and economic systems. Karl Åström and Richard Murray use techniques from physics, computer science, and operations research to introduce control-oriented modeling. They begin with state space tools for analysis and design, including stability of solutions, Lyapunov functions, reachability, state feedback observability, and estimators. The matrix exponential plays a central role in the analysis of linear control systems, allowing a concise development of many of the key concepts for this class of models. Åström and Murray then develop and explain tools in the frequency domain, including transfer functions, Nyquist analysis, PID control, frequency domain design, and robustness. Features a new chapter on design principles and tools, illustrating the types of problems that can be solved using feedback Includes a new chapter on fundamental limits and new material on the Routh-Hurwitz criterion and root locus plots Provides exercises at the end of every chapter Comes with an electronic solutions manual An ideal textbook for undergraduate and graduate students Indispensable for researchers seeking a self-contained resource on control theory
