When Topology Meets Chemistry

A Topological Look at Molecular Chirality

Author: Erica Flapan

Publisher: Cambridge University Press

ISBN: 9780521664820

Category: Mathematics

Page: 241

View: 8176

An undergraduate topology text describing knot theory, 3-dimensional manifolds, and embedded graphs, and the role these play in understanding molecular structures.

Knots, Molecules, and the Universe

Author: Erica Flapan

Publisher: American Mathematical Soc.

ISBN: 1470425351

Category: Algebraic topology

Page: 386

View: 4088

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.

The Role of Topology in Materials

Author: Sanju Gupta,Avadh Saxena

Publisher: Springer

ISBN: 3319765965

Category: Science

Page: 297

View: 8268

This book presents the most important advances in the class of topological materials and discusses the topological characterization, modeling and metrology of materials. Further, it addresses currently emerging characterization techniques such as optical and acoustic, vibrational spectroscopy (Brillouin, infrared, Raman), electronic, magnetic, fluorescence correlation imaging, laser lithography, small angle X-ray and neutron scattering and other techniques, including site-selective nanoprobes. The book analyzes the topological aspects to identify and quantify these effects in terms of topology metrics. The topological materials are ubiquitous and range from (i) de novo nanoscale allotropes of carbons in various forms such as nanotubes, nanorings, nanohorns, nanowalls, peapods, graphene, etc. to (ii) metallo-organic frameworks, (iii) helical gold nanotubes, (iv) Möbius conjugated polymers, (v) block co-polymers, (vi) supramolecular assemblies, to (vii) a variety of biological and soft-matter systems, e.g. foams and cellular materials, vesicles of different shapes and genera, biomimetic membranes, and filaments, (viii) topological insulators and topological superconductors, (ix) a variety of Dirac materials including Dirac and Weyl semimetals, as well as (x) knots and network structures. Topological databases and algorithms to model such materials have been also established in this book. In order to understand and properly characterize these important emergent materials, it is necessary to go far beyond the traditional paradigm of microscopic structure–property–function relationships to a paradigm that explicitly incorporates topological aspects from the outset to characterize and/or predict the physical properties and currently untapped functionalities of these advanced materials. Simulation and modeling tools including quantum chemistry, molecular dynamics, 3D visualization and tomography are also indispensable. These concepts have found applications in condensed matter physics, materials science and engineering, physical chemistry and biophysics, and the various topics covered in the book have potential applications in connection with novel synthesis techniques, sensing and catalysis. As such, the book offers a unique resource for graduate students and researchers alike.

Biochirality

Origins, Evolution and Molecular Recognition

Author: Pedro Cintas

Publisher: Springer

ISBN: 3642376266

Category: Science

Page: 316

View: 1425

Early History of the Recognition of Molecular Biochirality, by Joseph Gal, Pedro Cintas Synthesis and Chirality of Amino Acids Under Interstellar Conditions, by Chaitanya Giri, Fred Goesmann, Cornelia Meinert, Amanda C. Evans, Uwe J. Meierhenrich Chemical and Physical Models for the Emergence of Biological Homochirality, by son E. Hein, Dragos Gherase, Donna G. Blackmond Biomolecules at Interfaces: Chiral, Naturally, by Arántzazu González-Campo and David B. Amabilino Stochastic Mirror Symmetry Breaking: Theoretical Models and Simulation of Experiments, by Celia Blanco, David Hochberg Self-Assembly of Dendritic Dipeptides as a Model of Chiral Selection in Primitive Biological Systems, by Brad M. Rosen, Cécile Roche, Virgil Percec Chirality and Protein Biosynthesis, by Sindrila Dutta Banik, Nilashis Nandi

Developments in Language Theory

8th International Conference, DLT 2004, Auckland, New Zealand, December 13-17, Proceedings

Author: Cristian S. Calude,Elena Calude,Michael J. Dinneen

Publisher: Springer

ISBN: 3540305505

Category: Mathematics

Page: 436

View: 4725

Macrocyclic Chemistry

Current Trends and Future Perspectives

Author: K. Gloe

Publisher: Springer Science & Business Media

ISBN: 1402036876

Category: Science

Page: 450

View: 4754

Macrocyclic Chemistry: Current Trends and Future Perspectives illustrates essential concepts in this expanding research field covering both basic and applied studies. Written by well-known experts from around the world, the topics of the chapters range from new macrocyclic architectures with different functions and self-assembly processes through to the modeling and dynamics of such systems. The content also reflects on application possibilities in analytical chemistry, separation processes, material preparation and medicine. Thus this book serves as a creative source of research strategies and methodic tools. Providing an excellent overview of the field, this book will be a valuable resource for researchers in industry and academic institutions as well as for teachers of science and graduate students. This book is devoted to the long-standing tradition of the International Symposia on Macrocyclic Chemistry (ISMC) and published to coincide with the 30th meeting, Dresden, Germany.

Applications of Knot Theory

American Mathematical Society, Short Course, January 4-5, 2008, San Diego, California

Author: American Mathematical Society. Short course,Dorothy Buck

Publisher: American Mathematical Soc.

ISBN: 0821844660

Category: Mathematics

Page: 186

View: 8000

Over the past 20-30 years, knot theory has rekindled its historic ties with biology, chemistry, and physics as a means of creating more sophisticated descriptions of the entanglements and properties of natural phenomena--from strings to organic compounds to DNA. This volume is based on the 2008 AMS Short Course, Applications of Knot Theory. The aim of the Short Course and this volume, while not covering all aspects of applied knot theory, is to provide the reader with a mathematical appetizer, in order to stimulate the mathematical appetite for further study of this exciting field. No prior knowledge of topology, biology, chemistry, or physics is assumed. In particular, the first three chapters of this volume introduce the reader to knot theory (by Colin Adams), topological chirality and molecular symmetry (by Erica Flapan), and DNA topology (by Dorothy Buck). The second half of this volume is focused on three particular applications of knot theory. Louis Kauffman discusses applications of knot theory to physics, Nadrian Seeman discusses how topology is used in DNA nanotechnology, and Jonathan Simon discusses the statistical and energetic properties of knots and their relation to molecular biology.

Engineering of Crystalline Materials Properties

State of the Art in Modeling, Design and Applications

Author: Juan J. Novoa,Dario Braga,Lia Addadi

Publisher: Springer Science & Business Media

ISBN: 9781402068232

Category: Technology & Engineering

Page: 518

View: 8810

This volume collects the state of the art in molecular materials. It collects the lecture notes of a series of lectures given by some of the best specialists in the field at the 2007 Erice International School of Crystallography, and also a NATO-ASI course. The school first established "where we are" in terms of modeling, design, synthesis and applications of crystalline solids with predefined properties and then defined current and possible futuristic lines of development.

Recent Advances in QSAR Studies

Methods and Applications

Author: Tomasz Puzyn,Jerzy Leszczynski,Mark T. Cronin

Publisher: Springer Science & Business Media

ISBN: 9781402097836

Category: Science

Page: 414

View: 9476

This book presents an interdisciplinary overview on the most recent advances in QSAR studies. The first part consists of a comprehensive review of QSAR methodology. The second part highlights the interdisciplinary aspects and new areas of QSAR modelling.

Chemical Synthesis

Gnosis to Prognosis

Author: C. Chatgilialoglu,V. Snieckus

Publisher: Springer Science & Business Media

ISBN: 9400902557

Category: Science

Page: 625

View: 5092

Chemical Synthesis: Gnosis to Prognosis (XTUllKtl ~uv8eoTr ana TT) rVWOT) OTT) npaYVWOT)) " . . . . other things being equal, that field has the most merit which contributes most heavily to, and illuminates most brightly, its neighbouring scientific disciplines[l] One hundred scientists, a blend of students, industrialists, and academics from twenty countries gathered to circumscribe, understand, and elaborate this topic in the magical setting of Ravello, Italy. The mandate of this workshop? To survey existing knowledge, assess current work, and discuss the future directions of chemical synthesis as it impinges on three exciting interdisciplinary themes of science in the 1990's: bioactive molecules, man-made chemical materials, and molecular recognition. This tempting but inexact menu summoned diverse students and scientists who wished to seriously reflect upon, dissect, and eject ideas and own experiences into open debate on this topic, which is at a crossroad in internal evolution and impact on the life and material sciences. The group arrived from many directions and in various forms of transportation, matters soon forgotten, when it found itself in the village which nurtured Wagner's inspiration and set to work immediately to ponder the question which has received extensive thought, prediction, and caveat from illustrious chemists over a period of time [2], two of which, to the delight of all, in presence among the Lectures.

Inorganic Chemical Biology

Principles, Techniques and Applications

Author: Gilles Gasser

Publisher: John Wiley & Sons

ISBN: 111868415X

Category: Science

Page: 432

View: 1528

Understanding, identifying and influencing the biological systems are the primary objectives of chemical biology. From this perspective, metal complexes have always been of great assistance to chemical biologists, for example, in structural identification and purification of essential biomolecules, for visualizing cellular organelles or to inhibit specific enzymes. This inorganic side of chemical biology, which continues to receive considerable attention, is referred to as inorganic chemical biology. Inorganic Chemical Biology: Principles, Techniques and Applications provides a comprehensive overview of the current and emerging role of metal complexes in chemical biology. Throughout all of the chapters there is a strong emphasis on fundamental theoretical chemistry and experiments that have been carried out in living cells or organisms. Outlooks for the future applications of metal complexes in chemical biology are also discussed. Topics covered include: • Metal complexes as tools for structural biology • IMAC, AAS, XRF and MS as detection techniques for metals in chemical biology • Cell and organism imaging and probing DNA using metal and metal carbonyl complexes • Detection of metal ions, anions and small molecules using metal complexes • Photo-release of metal ions in living cells • Metal complexes as enzyme inhibitors and catalysts in living cells Written by a team of international experts, Inorganic Chemical Biology: Principles, Techniques and Applications is a must-have for bioinorganic, bioorganometallic and medicinal chemists as well as chemical biologists working in both academia and industry.

From Chemical Topology to Three-Dimensional Geometry

Author: Alexandru T. Balaban

Publisher: Springer Science & Business Media

ISBN: 0306469073

Category: Science

Page: 420

View: 8383

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.

NanoBioTechnology

BioInspired Devices and Materials of the Future

Author: Oded Shoseyov,Ilan Levy

Publisher: Springer Science & Business Media

ISBN: 9781597452182

Category: Science

Page: 485

View: 4042

NanoBiotechnology is a groundbreaking text investigating the recent advances and future direction of nanobiotechnology. It will assist scientists and students in learning the fundamentals and cutting-edge nature of this new and emerging science. Focusing on materials and building blocks for nanotechnology, leading scientists from around the world share their knowledge and expertise in this authoritative volume.

Cosmological Physics

Author: J. A. Peacock

Publisher: Cambridge University Press

ISBN: 9780521422703

Category: Science

Page: 682

View: 9783

An eagerly-awaited, comprehensive and authoritative introduction to contemporary cosmology; for advanced undergraduate and graduate students.

Synthesis and Applications of Copolymers

Author: Anbanandam Parthiban

Publisher: John Wiley & Sons

ISBN: 1118860489

Category: Technology & Engineering

Page: 400

View: 7913

Understanding the reactivity of monomers is crucial in creating copolymers and determining the outcome of copolymerization. Covering the fundamental aspects of polymerization, Synthesis and Applications of Copolymers explores the reactivity of monomers and reaction conditions that ensure that the newly formed polymeric materials exhibit desired properties. Referencing a wide-range of disciplines, the book provides researchers, students, and scientists with the preparation of a diverse variety of copolymers and their recent developments, with a particular focus on copolymerization, crystallization, and techniques like nanoimprinting and micropatterning.

Chemistry of Zeolites and Related Porous Materials

Synthesis and Structure

Author: Ruren Xu,Wenqin Pang,Jihong Yu,Qisheng Huo,Jiesheng Chen

Publisher: John Wiley & Sons

ISBN: 9780470822364

Category: Science

Page: 616

View: 813

Widely used in adsorption, catalysis and ion exchange, the family of molecular sieves such as zeolites has been greatly extended and many advances have recently been achieved in the field of molecular sieves synthesis and related porous materials. Chemistry of Zeolites and Related Porous Materials focuses on the synthetic and structural chemistry of the major types of molecular sieves. It offers a systematic introduction to and an in-depth discussion of microporous, mesoporous, and macroporous materials and also includes metal-organic frameworks. Provides focused coverage of the key aspects of molecular sieves Features two frontier subjects: molecular engineering and host-guest advanced materials Comprehensively covers both theory and application with particular emphasis on industrial uses This book is essential reading for researches in the chemical and materials industries and research institutions. The book is also indispensable for researches and engineers in R&D (for catalysis) divisions of companies in petroleum refining and the petrochemical and fine chemical industries.

Advances in QSAR modeling

Applications in Pharmaceutical, Chemical, Food, Agricultural and Environmental Sciences

Author: Kunal Roy

Publisher: Springer

ISBN: 3319568507

Category: Science

Page: 555

View: 5321

The book covers theoretical background and methodology as well as all current applications of Quantitative Structure-Activity Relationships (QSAR). Written by an international group of recognized researchers, this edited volume discusses applications of QSAR in multiple disciplines such as chemistry, pharmacy, environmental and agricultural sciences addressing data gaps and modern regulatory requirements. Additionally, the applications of QSAR in food science and nanoscience have been included – two areas which have only recently been able to exploit this versatile tool. This timely addition to the series is aimed at graduate students, academics and industrial scientists interested in the latest advances and applications of QSAR.

Computer Applications in Pharmaceutical Research and Development

Author: Sean Ekins

Publisher: John Wiley & Sons

ISBN: 0470037229

Category: Medical

Page: 805

View: 6953

A unique, holistic approach covering all functions and phases of pharmaceutical research and development While there are a number of texts dedicated to individual aspects of pharmaceutical research and development, this unique contributed work takes a holistic and integrative approach to the use of computers in all phases of drug discovery, development, and marketing. It explains how applications are used at various stages, including bioinformatics, data mining, predicting human response to drugs, and high-throughput screening. By providing a comprehensive view, the book offers readers a unique framework and systems perspective from which they can devise strategies to thoroughly exploit the use of computers in their organizations during all phases of the discovery and development process. Chapters are organized into the following sections: * Computers in pharmaceutical research and development: a general overview * Understanding diseases: mining complex systems for knowledge * Scientific information handling and enhancing productivity * Computers in drug discovery * Computers in preclinical development * Computers in development decision making, economics, and market analysis * Computers in clinical development * Future applications and future development Each chapter is written by one or more leading experts in the field and carefully edited to ensure a consistent structure and approach throughout the book. Figures are used extensively to illustrate complex concepts and multifaceted processes. References are provided in each chapter to enable readers to continue investigating a particular topic in depth. Finally, tables of software resources are provided in many of the chapters. This is essential reading for IT professionals and scientists in the pharmaceutical industry as well as researchers involved in informatics and ADMET, drug discovery, and technology development. The book's cross-functional, all-phases approach provides a unique opportunity for a holistic analysis and assessment of computer applications in pharmaceutics.

Small Molecule Medicinal Chemistry

Strategies and Technologies

Author: Werngard Czechtizky,Peter Hamley

Publisher: John Wiley & Sons

ISBN: 1118771575

Category: Science

Page: 528

View: 6039

Stressing strategic and technological solutions to medicinal chemistry challenges, this book presents methods and practices for optimizing the chemical aspects of drug discovery. Chapters discuss benefits, challenges, case studies, and industry perspectives for improving drug discovery programs with respect to quality and costs. • Focuses on small molecules and their critical role in medicinal chemistry, reviewing chemical and economic advantages, challenges, and trends in the field from industry perspectives • Discusses novel approaches and key topics, like screening collection enhancement, risk sharing, HTS triage, new lead finding approaches, diversity-oriented synthesis, peptidomimetics, natural products, and high throughput medicinal chemistry approaches • Explains how to reduce design-make-test cycle times by integrating medicinal chemistry, physical chemistry, and ADME profiling techniques • Includes descriptive case studies, examples, and applications to illustrate new technologies and provide step-by-step explanations to enable them in a laboratory setting

Molecular- and Nano-Tubes

Author: Oliver Hayden,Kornelius Nielsch

Publisher: Springer Science & Business Media

ISBN: 9781441994431

Category: Technology & Engineering

Page: 473

View: 7554

Molecular- and Nano-Tubes summarizes recent advancements in the synthesis, fabrication and applications of tubular structures. An interdisciplinary overview of innovative science focused on tubular structures is provided. The reader is offered an overview of the different fields that molecular and nano tubes appear in, in order to learn the fundamental basics as well as the applications of these materials. This book also: Shows how nanotechnology creates novel materials by crossing the barriers between biology and material science, electronics and optics, medicine and more Demonstrates that tubes are a fundamental element in nature and used in disparate applications such as ion channels and carbon nanotubes Molecular- and Nano-Tubes is an ideal volume for researchers and engineers working in materials science and nanotechnology.