When Topology Meets Chemistry

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.

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.

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.

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. Contents:Topological Polymer Chemistry - Concepts and Practices:Systematic Classification of Nonlinear Polymer Topologies (Yasuyuki Tezuka)Topological Isomers in Polymer Molecules (Yasuyuki Tezuka)Telechelics Having Cyclic Onium Salt Groups (Yasuyuki Tezuka)Electrostatic Self-Assembly and Covalent Fixation (ESA-CF) Process (Yasuyuki Tezuka)Dynamic Control of Polymer Topologies by the ESA-CF Process (Yasuyuki Tezuka)Cyclic and Multicyclic Polymers Having Functional Groups (Kyklo-Telechelics) (Yasuyuki Tezuka)Metathesis Polymer Cyclization (Yasuyuki Tezuka)Multicyclic Polymer Topologies by the ESA-CF with Kyklo-Telechelic Precursors (Yasuyuki Tezuka)Cyclic Polymers - Developments in the New Century:Overview on Physical Properties of Cyclic Polymers (Jacques Roovers)The Ring-Closure Approach for Synthesizing Cyclic Polymers (Boyu Zhang and Scott M Grayson)Cyclic Macromonomers: Synthesis and Properties (Masataka Kubo)Topological Effects on the Statistical and Dynamical Properties of Ring Polymers in Solution (Tetsuo Deguchi and Kyoichi Tsurusaki)Dynamics of Cyclic Polymers Revealed by Single-Molecule Spectroscopy (Satoshi Habuchi)Progress in the Rheology of Cyclic Polymers (Dimitris Vlassopoulos, Rossana Pasquino and Frank SnijkersCrystallization of Cyclic and Branched Polymers (Hiroki Takeshita and Tomoo Shiomi)Self-Assembly and Functions of Cyclic Polymers (Eisuke Baba and Takuya Yamamoto) Readership: Graduate students, professionals and researchers in chemistry. Keywords:Topological Polymer Chemistry;Cyclic Polymers;Ring Polymers;Macromolecular Architectures;Complex Polymer Structures

Plastics, films, and synthetic fibers are among typical examples of polymer materials fabricated industrially in massive quantities as the basis of modern social life. By comparison, polymers from biological resources, including proteins, DNAs, and cotton fibers, are essential in various processes in living systems. Such polymers are molecular substances, constituted by the linking of hundreds to tens of thousands of small chemical unit (monomer) components. Thus, the form of polymer molecules is frequently expressed by line geometries, and their linear and non-linear forms are believed to constitute the fundamental basis for their properties and functions. In the field of polymer chemistry and polymer materials science, the choice of macromolecules has continuously been extended from linear or randomly branched forms toward a variety of precisely controlled topologies by the introduction of intriguing synthetic techniques. Moreover, during the first decade of this century, a number of impressive breakthroughs have been achieved 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 unique properties and functions based on the form, i.e., topology, of polymer molecules. The introduction and application of topological geometry (soft geometry) to polymer molecules is a crucial requirement to account for the basic geometrical properties of polymer chains uniquely flexible in nature, in contrast to small chemical compounds conceived upon Euclidian geometry (hard geometry) principles. Topological geometry and graph theory are introduced for the systematic classification and notation of the non-linear constructions of polymer molecules, including not only branched but also single cyclic and multicyclic polymer topologies. On that basis, the geometrical–topological relationship between different polymers having distinctive constructions is discussed. A unique conception of topological isomerism is thus formed, which contrasts with that of conventional constitutional and stereoisomerism occurring in small chemical compounds. Through the close collaboration of topology experts Shimokawa and Ishihara and the polymer chemist Tezuka, this monograph covers the fundamentals and selected current topics of topology applied in polymers and topological polymer chemistry. In particular, the aim is to provide novel insights jointly revealed through a unique interaction between mathematics (topology) and polymer materials science.

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.