[PDF] When Topology Meets Chemistry eBook

Author : Erica Flapan
Publisher : Cambridge University Press
Page : 268 pages
File Size : 40,57 MB
Release : 2000-07-31
Category : Mathematics
ISBN : 9780521664820

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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.

Author : Tarini S. Hardikar
Publisher :
Page : 76 pages
File Size : 15,11 MB
Release : 2017
Category : Chemistry
ISBN :

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Chirality (or handedness) is the property that a structure is "different" from its mirror image. Topology can be used to provide a rigorous framework for the notion of chirality. This project examines various types of chirality and discusses tools to detect chirality in graphs and knots. Notable theorems that are discussed in this work include ones that identify chirality using properties of link polynomials (HOMFLY polynomials), rigid vertex graphs, and knot linking numbers. Various other issues of chirality are explored, and some specially unique structures are discussed. This paper is borne out of reading Dr. Erica Flapan's book, When Topology Meets Chemistry. It follows the structure of the book closely, and in a sense, tells the same story, but as a modern adaptation. Every uncited theorem and definition and fact is from this book. The second part of this work focuses on using graph theory to better span molecular graphs. This part is significantly less explored, but nevertheless, presents some interesting prospects.

Author : D H Rouvray
Publisher : Elsevier
Page : 400 pages
File Size : 25,1 MB
Release : 2002-04-01
Category : Science
ISBN : 0857099612

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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

Author : D Bonchev
Publisher : CRC Press
Page : 354 pages
File Size : 45,70 MB
Release : 1999-04-23
Category : Science
ISBN : 9789056991746

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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.

Author : Andrew D. Bates
Publisher : Oxford University Press, USA
Page : 224 pages
File Size : 44,78 MB
Release : 2005
Category : Science
ISBN : 9780198567097

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"A key aspect of DNA is its ability to form a variety of structures, this book explains the origins and importance of such structures"--Provided by publisher.

Author : Erica Flapan
Publisher : American Mathematical Soc.
Page : 406 pages
File Size : 23,47 MB
Release : 2015-12-22
Category : Mathematics
ISBN : 1470425351

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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.

Author : Paul G. Mezey
Publisher : Wiley-VCH
Page : 224 pages
File Size : 32,74 MB
Release : 1993-08-26
Category : Science
ISBN : 9780471187417

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'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.

Author : Yasuyuki Tezuka
Publisher : Springer Nature
Page : 430 pages
File Size : 14,62 MB
Release : 2022-02-25
Category : Science
ISBN : 9811668078

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This book provides a comprehensive description of topological polymers, an emerging research area in polymer science and polymer materials engineering. The precision polymer topology designing is critical to realizing the unique polymer properties and functions leading to their eventual applications. The prominent contributors are led by Principal Editor Yasuyuki Tezuka and Co-Editor Tetsuo Deguchi. Important ongoing achievements and anticipated breakthroughs in topological polymers are presented with an emphasis on the spectacular diversification of polymer constructions. The book serves readers collectively to acquire comprehensive insights over exciting innovations ongoing in topological polymer chemistry, encompassing topological geometry analysis, classification, physical characterization by simulation and the eventual chemical syntheses, with the supplementary focus on the polymer folding, invoked with the ongoing breakthrough of the precision AI prediction of protein folding. The current revolutionary developments in synthetic approaches specifically for single cyclic (ring) polymers and the topology-directed properties/functions uncovered thereby are outlined as a showcase example. This book is especially beneficial to academic personnel in universities and to researchers working in relevant institutions and companies. Although the level of the book is advanced, it can serve as a good reference book for graduate students and postdocs as a source of valuable knowledge of cutting-edge topics and progress in polymer chemistry.

Author : Yasuyuki Tezuka
Publisher : World Scientific
Page : 365 pages
File Size : 31,41 MB
Release : 2012-12-17
Category : Science
ISBN : 9814401293

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There are examples aplenty in the macroscopic world that demonstrate the form of objects directing their functions and properties. On the other hand, the fabrication of extremely small objects having precisely defined structures has only recently become an attractive challenge, which is now opening the door to nanoscience and nanotechnology.In the field of synthetic polymer chemistry, a number of critical breakthroughs have been achieved during the first decade of this century to produce an important class of polymers having a variety of cyclic and multicyclic topologies. These developments now offer unique opportunities in polymer materials design to create unprecedented properties and functions simply based on the form, i.e. topology, of polymer molecules.In this book on topological polymer chemistry, the important developments in this growing area will be collected for the first time, with particular emphasis on new conceptual insights for polymer chemistry and polymer materials. The book will systematically review topological polymer chemistry from basic aspects to practice, and give a broad overview of cyclic polymers covering new synthesis, structure characterization, basic properties/functions and the eventual applications.