Download or read book When Topology Meets Chemistry written by Erica Flapan and published by Cambridge University Press. This book was released on 2000-07-31 with total page 258 pages. Available in PDF, EPUB and Kindle. Book excerpt: The applications of topological techniques for understanding molecular structures have become increasingly important over the past thirty years. In this topology text, the reader will learn about knot theory, 3-dimensional manifolds, and the topology of embedded graphs, while learning the role these play in understanding molecular structures. Most of the results that are described in the text are motivated by questions asked by chemists or molecular biologists, though the results themselves often go beyond answering the original question asked. There is no specific mathematical or chemical prerequisite; all the relevant background is provided. The text is enhanced by nearly 200 illustrations and more than 100 exercises. Reading this fascinating book, undergraduate mathematics students can escape the world of pure abstract theory and enter that of real molecules, while chemists and biologists will find simple, clear but rigorous definitions of mathematical concepts they handle intuitively in their work.
Download or read book Topology in Chemistry written by D H Rouvray and published by Elsevier. This book was released on 2002-04-01 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume addresses a number of topological themes of direct relevance to chemists. Topological concepts are now regularly applied in wide areas of chemistry including molecular engineering and design, chemical toxicology, the study of molecular shape, crystal and surface structures, chemical bonding, macromolecular species such as polymers and DNA, and environmental chemistry. Currently, the design and synthesis of new drugs and agrochemicals are of especial importance. The book's prime focus is on the role played by topological indices in the description and characterisation of molecular species. The Wiener index along with a variety of other major topological indices, are discussed with particular reference to the powerful and much used connectivity indices. In this book an international team of leading experts review their respective fields and present their findings.The considerable benefits offered by topological indices in the investigation of chemical problems in science, medicine, and industry are highlighted. The volume records proceedings of the Harry Wiener Memorial Conference on the Role of Topology in Chemistry, held at the University of Georgia in March 2001, and serves as a fitting tribute to the chemical contributions of the late Harry Wiener. Focuses on the role played by topological indices in the description and characterisation of molecular species Records the proceedings of the Harry Weiner Memorial Conference on the Role of Topology in Chemistry, held at the University of Georgia in March 2001 Along with a variety of other major topological indices, the Wiener index is discussed with particular reference to the powerful and much-used connectivity indices
Download or read book Molecular Topology written by Mircea V. Diudea and published by Nova Biomedical Books. This book was released on 2001 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: Most, yet not all, chemical substances consist of molecules. The fact that molecules have a 'structure' is known since the middle of the 19th century. Since then, one of the principal goals of chemistry is to establish the relationships between the chemical and physical properties of substance and the structure of the corresponding molecules. Countless results along these lines have been obtained along these lines and presented in different publications in this field. One group uses so-called topological indices. About 20 years ago, there were dozens of topological indices, but only a few with noteworthy chemical applications. Over time, their numbers have increased enormously. At this moment here is no theory that could serve as a reliable guide for solving this problem. This book is aimed at giving a reasonable comprehensive survey of the present, fin de siècle, state of art theory and practice of topological indices.
Download or read book Applications of Topological Methods in Molecular Chemistry written by Remi Chauvin and published by Springer. This book was released on 2016-04-19 with total page 586 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is the first edited volume that features two important frameworks, Hückel and quantum chemical topological analyses. The contributors, which include an array of academics of international distinction, describe recent applications of such topological methods to various fields and topics that provide the reader with the current state-of-the-art and give a flavour of the wide range of their potentialities.
Download or read book Knots Molecules and the Universe written by Erica Flapan and published by American Mathematical Soc.. This book was released on 2015-12-22 with total page 406 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is an elementary introduction to geometric topology and its applications to chemistry, molecular biology, and cosmology. It does not assume any mathematical or scientific background, sophistication, or even motivation to study mathematics. It is meant to be fun and engaging while drawing students in to learn about fundamental topological and geometric ideas. Though the book can be read and enjoyed by nonmathematicians, college students, or even eager high school students, it is intended to be used as an undergraduate textbook. The book is divided into three parts corresponding to the three areas referred to in the title. Part 1 develops techniques that enable two- and three-dimensional creatures to visualize possible shapes for their universe and to use topological and geometric properties to distinguish one such space from another. Part 2 is an introduction to knot theory with an emphasis on invariants. Part 3 presents applications of topology and geometry to molecular symmetries, DNA, and proteins. Each chapter ends with exercises that allow for better understanding of the material. The style of the book is informal and lively. Though all of the definitions and theorems are explicitly stated, they are given in an intuitive rather than a rigorous form, with several hundreds of figures illustrating the exposition. This allows students to develop intuition about topology and geometry without getting bogged down in technical details.
Download or read book Topology in Molecular Biology written by Michael I. Monastyrsky and published by Springer Science & Business Media. This book was released on 2006-10-26 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Providing a course of modern topology intended for biologists and physicists, this book presents a class of results in molecular biology for which topological methods and ideas are important. These include: the large-scale conformation properties of DNA; computational methods; the structure of proteins; and other problems in molecular biology.
Download or read book Discrete and Topological Models in Molecular Biology written by Nataša Jonoska and published by Springer Science & Business Media. This book was released on 2013-12-23 with total page 522 pages. Available in PDF, EPUB and Kindle. Book excerpt: Theoretical tools and insights from discrete mathematics, theoretical computer science, and topology now play essential roles in our understanding of vital biomolecular processes. The related methods are now employed in various fields of mathematical biology as instruments to "zoom in" on processes at a molecular level. This book contains expository chapters on how contemporary models from discrete mathematics – in domains such as algebra, combinatorics, and graph and knot theories – can provide perspective on biomolecular problems ranging from data analysis, molecular and gene arrangements and structures, and knotted DNA embeddings via spatial graph models to the dynamics and kinetics of molecular interactions. The contributing authors are among the leading scientists in this field and the book is a reference for researchers in mathematics and theoretical computer science who are engaged with modeling molecular and biological phenomena using discrete methods. It may also serve as a guide and supplement for graduate courses in mathematical biology or bioinformatics, introducing nontraditional aspects of mathematical biology.
Download or read book Molecular Catenanes Rotaxanes and Knots written by Jean-Pierre Sauvage and published by John Wiley & Sons. This book was released on 2008-07-11 with total page 382 pages. Available in PDF, EPUB and Kindle. Book excerpt: This journey through the fascinating world of molecular topology focuses on catenanes, rotaxanes and knots, their synthesis, properties, and applications and the theory of interlocking and interpenetrating molecules. Nearly one hundred years of progress have passed since Willstätter's speculative vision of a molecule consisting of two interlinked rings. But even today the synthesis of such structures are a challenge to the creativity of synthetic chemists. These molecules are not only of academic interest, since they occur naturally. In such molecules as DNA, knots and related topological features play a key role in biochemical processes. In addition, extensive research on the properties of polyrotaxanes and polycatenanes show potential applications as molecular magnets, wires or switches. Twelve international leading experts in the field present the broad and impressive spectrum of the topology of these molecules, from theoretical aspects and new pathways in synthesis to probing their properties. All researchers working in this interdisciplinary area, whether organic, inorganic or polymer chemists, as well as material scientists, will welcome this comprehensive and up-to-date work as an inspiring source for creative research ideas.
Download or read book When Topology Meets Chemistry written by Erica Flapan and published by Cambridge University Press. This book was released on 2000-07-31 with total page 268 pages. Available in PDF, EPUB and Kindle. Book excerpt: The applications of topological techniques for understanding molecular structures have become increasingly important over the past thirty years. In this topology text, the reader will learn about knot theory, 3-dimensional manifolds, and the topology of embedded graphs, while learning the role these play in understanding molecular structures. Most of the results that are described in the text are motivated by questions asked by chemists or molecular biologists, though the results themselves often go beyond answering the original question asked. There is no specific mathematical or chemical prerequisite; all the relevant background is provided. The text is enhanced by nearly 200 illustrations and more than 100 exercises. Reading this fascinating book, undergraduate mathematics students can escape the world of pure abstract theory and enter that of real molecules, while chemists and biologists will find simple, clear but rigorous definitions of mathematical concepts they handle intuitively in their work.
Download or read book Shape in Chemistry written by Paul G. Mezey and published by Wiley-VCH. This book was released on 1993-08-26 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt: 'Shape in Chemistry' looks at molecular shape from a unique perspective: It introduces the reader to the topological concepts and methods of precise shape characterization that are applicable for direct, non-visual description and analysis of general molecular shapes. The author provides a pictorial introduction to all the topological tools necessary for the subjects discussed. Mathematical description is also provided at an easily comprehensible level. New concepts are introduced beginning at the familiar level of stereochemistry and lead on to more advanced topological shape analysis methods. The structure of the book reflects the author's desire to bring the reader to an early appreciation of the power of topology in chemistry. After a brief review of the quantum chemical concept, the author compares the merits of visual, computer graphics methods and nonvisual, algorithmic shape analysis methods. The book ends with the concepts of approximate symmetry and various generalizations of symmetry. 'Shape in Chemistry' is surely destined to become standard reading in the field. It presents a valuable addition to the literature on shape and modeling of molecules for non-specialists organic, physical and medical chemists, researchers in various aspects of QSAR and pharmacological drug design and advanced undergraduate and graduate students.
Download or read book The Nature of the Mechanical Bond written by Carson J. Bruns and published by John Wiley & Sons. This book was released on 2016-11-07 with total page 788 pages. Available in PDF, EPUB and Kindle. Book excerpt: “The story is told by THE inventor-pioneer-master in the field and is accompanied by amazing illustrations… [it] will become an absolute reference and a best seller in chemistry!” Alberto Credi “… the great opus on the mechanical bond. A most impressive undertaking!” Jean-Marie Lehn Congratulations to co-author J. Fraser Stoddart, a 2016 Nobel Laureate in Chemistry. In molecules, the mechanical bond is not shared between atoms—it is a bond that arises when molecular entities become entangled in space. Just as supermolecules are held together by supramolecular interactions, mechanomolecules, such as catenanes and rotaxanes, are maintained by mechanical bonds. This emergent bond endows mechanomolecules with a whole suite of novel properties relating to both form and function. They hold unlimited promise for countless applications, ranging from their presence in molecular devices and electronics to their involvement in remarkably advanced functional materials. The Nature of the Mechanical Bond is a comprehensive review of much of the contemporary literature on the mechanical bond, accessible to newcomers and veterans alike. Topics covered include: Supramolecular, covalent, and statistical approaches to the formation of entanglements that underpin mechanical bonds in molecules and macromolecules Kinetically and thermodynamically controlled strategies for synthesizing mechanomolecules Chemical topology, molecular architectures, polymers, crystals, and materials with mechanical bonds The stereochemistry of the mechanical bond (mechanostereochemistry), including the novel types of dynamic and static isomerism and chirality that emerge in mechanomolecules Artificial molecular switches and machines based on the large-amplitude translational and rotational motions expressed by suitably designed catenanes and rotaxanes. This contemporary and highly interdisciplinary field is summarized in a visually appealing, image-driven format, with more than 800 illustrations covering both fundamental and applied research. The Nature of the Mechanical Bond is a must-read for everyone, from students to experienced researchers, with an interest in chemistry’s latest and most non-canonical bond. Read the Preface
Download or read book Catenanes Rotaxanes and Knots written by Gottfried Schill and published by Elsevier. This book was released on 2013-10-22 with total page 205 pages. Available in PDF, EPUB and Kindle. Book excerpt: Organic Chemistry, Volume 22: Catenanes, Rotaxanes, and Knots provides information pertinent to the synthesis of catenanes and rotaxanes. This book discusses the manner of interaction between the molecular subunits in catenanes in the solid, liquid, and gaseous states. Organized into 19 chapters, this volume begins with an overview of the idea of synthesizing molecules composed of separate entities that are mechanically connected to one another. This text then examines the stereochemistry and the other physical and chemical properties related to the mechanical connections in these compounds. Other chapters consider the determination of the absolute configuration of catenanes by extension of the Cahn–Ingold–Prelog rules. This book discusses as well the bond that mechanically connects the catenated rings. The final chapter deals with the model studies of the synthesis of knots, double wound rotaxanes, and higher linear catenanes. This book is a valuable resource for chemists, students, and research workers.
Download or read book From Chemical Topology to Three Dimensional Geometry written by Alexandru T. Balaban and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt: Even high-speed supercomputers cannot easily convert traditional two-dimensional databases from chemical topology into the three-dimensional ones demanded by today's chemists, particularly those working in drug design. This fascinating volume resolves this problem by positing mathematical and topological models which greatly expand the capabilities of chemical graph theory. The authors examine QSAR and molecular similarity studies, the relationship between the sequence of amino acids and the less familiar secondary and tertiary protein structures, and new topological methods.
Download or read book Calculating the Secrets of Life written by National Research Council and published by National Academies Press. This book was released on 1995-04-06 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: As researchers have pursued biology's secrets to the molecular level, mathematical and computer sciences have played an increasingly important roleâ€"in genome mapping, population genetics, and even the controversial search for "Eve," hypothetical mother of the human race. In this first-ever survey of the partnership between the two fields, leading experts look at how mathematical research and methods have made possible important discoveries in biology. The volume explores how differential geometry, topology, and differential mechanics have allowed researchers to "wind" and "unwind" DNA's double helix to understand the phenomenon of supercoiling. It explains how mathematical tools are revealing the workings of enzymes and proteins. And it describes how mathematicians are detecting echoes from the origin of life by applying stochastic and statistical theory to the study of DNA sequences. This informative and motivational book will be of interest to researchers, research administrators, and educators and students in mathematics, computer sciences, and biology.
Download or read book Chemical Topology written by D Bonchev and published by CRC Press. This book was released on 1999-04-23 with total page 354 pages. Available in PDF, EPUB and Kindle. Book excerpt: Topology is becoming increasingly important in chemistry because of its rapidly growing number of applications. Here, its many uses are reviewed and the authors anticipate what future developments might bring. This work shows how significant new insights can be gained by representing molecular species as topological structures known as topographs. The text explores carbon structures, establishing how the stability of fullerene species can be accounted for and also predicting which fullerenes will be most stable. It is pointed out that molecular topology, rather than molecular geometry, characterizes molecular shape and various tools for shape characterization are described. Several of the fascinating ideas that arise from regarding topology as a unifying principle in chemical bonding theory are discussed, and in particular, the novel concept of the molecular topoid is shown to have numerous uses. The topological description of polymers is examined and the reader is gently guided through the realms of branched and tangled polymers. Overall, this work outlines the fact that topology is not only a theoretical discipline but also one that has practical applications and high relevance to the whole domain of chemistry.
Download or read book Molecular Similarity in Drug Design written by P.M. Dean and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular similarity searching is fast becoming a key tool in organic chemistry. In this book, the editor has brought together an international team of authors, each working at the forefront of this technology, providing a timely and concise overview of current research. The chapters focus principally on those methods which have reached sufficient maturity to be of immediate practical use in molecular design.
Download or read book Mathematical Concepts in Organic Chemistry written by Ivan Gutman and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 217 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present book is an attempt to outline some, certainly not all, mathematical aspects of modern organic chemistry. We have focused our attention on topological, graph-theoretical and group-theoretical features of organic chemistry, Parts A, B and C. The book is directed to all those chemists who use, or who intend to use mathe matics in their work, and especially to graduate students. The level of our exposition is adjusted to the mathematical background of graduate students of chemistry and only some knowledge of elementary algebra and calculus is required from the readers of the book. Some less well-known. but still elementary mathematical facts are collected in Appendices 1-4. This, however, does not mean that the mathematical rigor and numerous tedious, but necessary technical details have been avoided. The authors' intention was to show the reader not only how the results of mathematical chemistry look, but also how they can be obtained. In accordance with this, Part 0 of the book contains a few selected advanced topics which should give the reader the flavour of the contemporary research in mathe matical organic chemistry. One of the authors (I.G.) was an Alexander von Humboldt fellow in 1985 when the main part of the book was written. He gratefully acknowledges the financial support of the Alexander von Humboldt Foundation which enabled his stay at the Max-Planck-Institut fUr Strahlenchemie in M iilheim and the writing of this book.
