Written by a chemical physicist specializing in macromolecular physics, this book brings to life the definitive work of celebrated scientists who combined multidisciplinary perspectives to pioneer the field of polymer science. The author relates firsthand the unique environment that fostered the experimental breakthroughs underlying some of today's most widely accepted theories, mathematical principles, and models for characterizing macromolecules.

Physical Chemistry of Macromolecules employs the unifying principles of physical chemistry to define the behavior, structure, and intermolecular properties of macromolecules in both solution and bulk states. The text explains the experimental techniques, such as light scattering, and results used to support current theories. Examining both equilibrium and transport properties, the book describes the properties of dilute, semi-dilute, and concentrated polymer solutions, including compressible fluids. It then covers amorphous liquids and glasses, and polymer networks. The final chapters discuss the properties of solutions containing stiff-chain molecules and polyelectrolytes. Topics also include the macromolecular nature of rubber elasticity, viscoelasticity, and the distribution of relaxation times associated with the glass transition.

By explaining the experimental and mathematical basis for the theories and models used to define macromolecular behavior, Physical Chemistry of Macromolecules demonstrates how these techniques and models can be applied to analyze and predict the properties of new polymeric materials.

This book discusses various aspects of different bulk TSO single crystals in terms of thermodynamics; bulk crystal growth using diverse techniques involving gas phase, solution, and melt; and the resulting crystal size, appearance, and structural quality as well as the fundamental properties that were gathered from bulk single crystals. It presents experimental results accompanied by theoretical results, such as band structure and native defects. Combinations of various bulk single crystals along with their properties show great promise in practical device functionality and fabrication. Many TSO-based devices have already been demonstrated in several technical areas, including electronics, optoelectronics, and photovoltaics as well as sensing devices. The book is the first of its kind that brings together a variety of bulk single crystals of scientifically and technically important TSOs along with their properties, which may result in novel devices with unique functionalities.

Computational and theoretical tools for understanding biological processes at the molecular level is an exciting and innovative area of science. Using these methods to study the structure, dynamics and reactivity of biomacromolecules in solution, computational chemistry is becoming an essential tool, complementing the more traditional methods for structure and reactivity determination. Modelling Molecular Structure and Reactivity in Biological Systems covers three main areas in computational chemistry; structure (conformational and electronic), reactivity and design. Initial sections focus on the link between computational and spectroscopic methods in the investigation of electronic structure. The use of Free Energy calculations for the elucidation of reaction mechanisms in enzymatic systems is also discussed. Subsequent sections focus on drug design and the use of database methods to determine ADME (absorption, distribution, metabolism, excretion) properties. This book provides a complete reference on state of the art computational chemistry practised on biological systems. It is ideal for researchers in the field of computational chemistry interested in its application to biological systems.

This book is an account of current developments in computational chemistry, a new multidisciplinary area of research. Experts in computational chemistry, the editors use and develop techniques for computer-assisted molecular design. The core of the text itself deals with techniques for computer-assisted molecular design. The book is suitable for both beginners and experts.
In addition, protocols and software for molecular recognition and the relationship between structure and biological activity of drug molecules are discussed in detail. Each chapter includes a mini-tutorial, as well as discussion of advanced topics.
Special Feature: The appendix to this book contains an extensive list of available software for molecular modeling.

This book provides a review of biochemistry as an algebra of molecules of living matter and utilizes Clifford algebras to discuss the basic biochemical processes of DNA replication, DNA transcription, RNA splicing and translation. Viral carcinogenesis is discussed in depth, specific attention is paid to the structural features of biomolecules that define a particular Clifford algebra, and useful examples of genetic information being transformed into Clifford algebras are provided.

The CRC Handbook of Enthalpy Data of Polymer-Solvent Systems presents data that is as essential to the production, process design, and use of polymers as it is to understanding the physical behavior and intermolecular interactions in polymer solutions and in developing thermodynamic polymer models. Providing an all-encompassing collection of current enthalpy data for all types of polymer solutions, this handbook is a ready companion with Christian Wohlfarth's previously published handbooks of thermodynamic data for copolymer solutions, aqueous polymer solutions, and polymer solutions at elevated pressures, which contain only a small amount of enthalpic data in comparison to the data presented here. This volume contains 1770 data sets that include enthalpies of mixing and dilution for the entire concentration range as well as partial enthalpies of mixing and solution at infinite dilution. Special appendices allow scientists to access specific systems and data easily. The CRC Handbook of Enthalpy Data of Polymer-Solvent Systems is a practical, one-stop resource that allows polymer chemists, biochemists, chemical engineers, materials scientists, and physical chemists involved in both industrial and laboratory processes to quickly retrieve relevant information as needed.

The phase behaviour of materials and their thermodynamic properties are a central subject in all fields of materials research. The first Volume of the work, meant for graduate students in chemistry, geology, physics, and metallurgy, and their engineering counterparts, is split up in three levels, such that from level to level the portion and importance of thermodynamics and mathematics are increased. In the ground level it is shown that the basic principles of phase equilibria can be understood without the use of thermodynamics - be it that the concept of chemical potential is introduced right from the beginning. The intermediate level is an introduction to thermodynamics; culminating in the Gibbs energy as the arbiter for equilibrium - demonstrated for systems where the phases in equilibrium are pure substances. In the third level the accent is on binary systems, where one or more phases are solutions of the components...

Annual Reports on NMR Spectroscopy, Volume 100, is a premier resource for both specialists and non-specialists who are looking to become familiar with new techniques and applications in NMR spectroscopy. Chapters in this new release cover In Operando NMR Studies, Recent Developments in Automotive Differential Analysis of NMR Results, Applications of SIMPSON to NMR Studies of Peptides and Proteins, Recent Developments in NMR Line Shape Analysis, and more.

This timely and unique publication is designed for graduate students and researchers in inorganic and materials chemistry and covers bonding models and applications of symmetry concepts to chemical systems. The book discusses the quantum mechanical basis for molecular orbital concepts, the connections between molecular orbitals and localized views of bonding, group theory, bonding models for a variety of compounds, and the extension of these ideas to solid state materials in band theory. Unlike other books, the concepts are made tangible to the readers by guiding them through their implementation in MATLAB functions. No background in MATLAB or computer programming is needed; the book will provide the necessary skills. Key Features Visualization of the Postulates of Quantum Mechanics to build conceptual understanding MATLAB functions for rendering molecular geometries and orbitals Do-it-yourself approach to building a molecular orbital and band theory program Introduction to Group Theory harnessing the 3D graphing capabilities of MATLAB Online access to a growing collection of applications of the core material and other appendices Bonding through Code is ideal for first-year graduate students and advanced undergraduates in chemistry, materials science, and physics. Researchers wishing to gain new tools for theoretical analysis or deepen their understanding of bonding phenomena can also benefit from this text. About the Author Daniel Fredrickson is a Professor in the Department of Chemistry at the University of Wisconsin-Madison, where his research group focuses on understanding and harnessing the structural chemistry of intermetallic phases using a combination of theory and experiment. His interests in crystals, structure, and bonding can be traced to his undergraduate research at the University of Washington (B.S. in Biochemistry, 2000) with Prof. Bart Kahr, his Ph.D. studies at Cornell University (2000-2005) with Profs. Stephen Lee and Roald Hoffmann, and his post-doctoral work with Prof. Sven Lidin at Stockholm University (2005-2008). As part of his teaching at UW-Madison since 2009, he has worked to enhance his department's graduate course, Physical Inorganic Chemistry I: Symmetry and Bonding, through the incorporation of new material and the development of computer-based exercises.

This book provides up-to-date discussion of modern polarographic methods, with examples and experimental details. It is designed for the practicing analyst and a factor in bringing the reincarnated area of analytical chemistry into a new and healthy maturity.

Increasingly useful in materials research and development, molecular modeling is a method that combines computational chemistry techniques with graphics visualization for simulating and predicting the structure, chemical processes, and properties of materials.

Molecular Modeling Techniques in Materials Science explores the impact of using molecular modeling for various simulations in industrial settings. It provides an overview of commonly used methods in atomistic simulation of a broad range of materials, including oxides, superconductors, semiconductors, zeolites, glass, and nanomaterials. The book presents information on how to handle different materials and how to choose an appropriate modeling method or combination of techniques to better predict material behavior and pinpoint effective solutions. Discussing the advantages and disadvantages of various approaches, the authors develop a framework for identifying objectives, defining design parameters, measuring accuracy/accounting for error, validating and assessing various data collected, supporting software needs, and other requirements for planning a modeling project. The book integrates the remarkable developments in computation, such as advanced graphics and faster, cheaper workstations and PCs with new advances in theoretical techniques and numerical algorithms.

Molecular Modeling Techniques in Materials Science presents the background and tools for chemists and physicists to perform "in-silico" experiments to understand relationships between the properties of materials and the underlying atomic structure. These insights result in more accurate data for designing application-specific materials that withstand real processconditions, including hot temperatures and high pressures.

Recently developed organic photovoltaics (OPVs) show distinct advantages over their inorganic counterparts due to their lighter weight, flexible shape, versatile materials synthesis and device fabrication schemes, and low cost in large-scale industrial production. Although many books currently exist on general concepts of PV and inorganic PV materials and devices, few are available that offer a comprehensive overview of recently fast developing organic and polymeric PV materials and devices.

Organic Photovoltaics: Mechanisms, Materials, and Devices fills this gap. The book provides an international perspective on the latest research in this rapidly expanding field with contributions from top experts around the world. It presents a unified approach comprising three sections: General Overviews; Mechanisms and Modeling; and Materials and Devices. Discussions include sunlight capture, exciton diffusion and dissociation, interface properties, charge recombination and migration, and a variety of currently developing OPV materials/devices. The book also includes two forewords: one by Nobel Laureate Dr. Alan J. Heeger, and the other by Drs. Aloysius Hepp and Sheila Bailey of NASA Glenn Research Center.

Organic Photovoltaics equips students, researchers, and engineers with knowledge of the mechanisms, materials, devices, and applications of OPVs necessary to develop cheaper, lighter, and cleaner renewable energy throughout the coming decades.

Handbook of Antioxidants provides a wealth of information on the mechanics, practical effects and applications of a wide range of antioxidants. The book starts by introducing the general concepts relating to antioxidants and their application, then segues into a discussion on existing natural and synthetic antioxidants, characterizing their general properties and application. Formation and action of oxidizing species in living organisms, ambient air, industrial environments, and chemical reactions are covered next. Subsequent chapters cover the theories and mechanisms of stabilization, performance indicators, antioxidant selection, degradation and stabilization of different polymers and rubbers, specific effects on other components of formulation, and analytical methods. This book is an excellent companion to the Databook of Antioxidants which has also been published recently. Both books supplement each other without repeating the same information - one contains data another theory, mechanisms of action, practical effects and implications of application.

This is the fourth volume in the Reviews in Fluorescence series. To date, three volumes have been both published and well received by the scienti c community. Several book reviews in the last few years have also favorably remarked on the series. In this fourth volume we continue the tradition of publishing leading edge and timely articles from authors around the world. We thank the authors for their timely and exciting contributions. We hope you nd this volume as useful as past volumes, which promises to be just as diverse with regard to uorescence-based content. Finally, in closing, I would like to thank to Aaron Johnson, formerly at Springer, for helping me to publish this book serial over the last four volumes. Thanks also go to Michael Weston at Springer for help in publishing this current volume. Baltimore, Maryland Chris D. Geddes v Contents Simple Calibration and Validation Standards for Fluorometry ...1 Ute Resch-Genger, Katrin Hoffmann, and Dietmar Pfeifer Membranes and Fluorescence Microscopy...33 Luis A. Bagatolli Electronic Energy Transport and Fluorescence Spectroscopy for Structural Insights into Proteins, Regular Protein Aggregates and Lipid Systems ...53 ? ? Therese Mikaelsson, Radek Sachl, and Lennart B. -A. Johansson Spectra FRET: A Fluorescence Resonance Energy Transfer Method in Live Cells...87 Ekaterina A. Bykova and Jie Zheng Boronic Acid Based Modular Fluorescent Saccharide Sensors...103 John S. Fossey and Tony D. James Fluorescence Solvent Relaxation in Cationic Membranes ...

Research on advanced energy conversion devices such as solar cells has intensified in the last two decades. A broad landscape of candidate materials and devices were discovered and systematically studied for effective solar energy conversion and utilization. New concepts have emerged forming a rather powerful picture embracing the mechanisms and limitation to efficiencies of different types of devices. The Physics of Solar Energy Conversion introduces the main physico-chemical principles that govern the operation of energy devices for energy conversion and storage, with a detailed view of the principles of solar energy conversion using advanced materials. Key Features include: Highlights recent rapid advances with the discovery of perovskite solar cells and their development. Analyzes the properties of organic solar cells, lithium ion batteries, light emitting diodes and the semiconductor materials for hydrogen production by water splitting. Embraces concepts from nanostructured and highly disordered materials to lead halide perovskite solar cells Takes a broad perspective and comprehensively addresses the fundamentals so that the reader can apply these and assess future developments and technologies in the field. Introduces basic techniques and methods for understanding the materials and interfaces that compose operative energy devices such as solar cells and solar fuel converters.

Various separation membranes have been developed since their discovery over half a century ago, providing numerous benefits and fulfilling many applications in our everyday lives. They lend themselves to techniques ranging from microfiltration and gas separation, to what can be considered as the most advanced technique - ion exchange. This book, aimed at academic researchers, engineers and industrialists, contains a brief history of ion exchange and goes on to explain the preparation, characterization, modification and applications of these important membranes. Discussions include the use of ion exchange in analytical and medical techniques, as well as the development of future applications.

Over recent years electronic spectroscopy has developed significantly, with key applications in atmospheric chemistry, astrophysics and astrochemistry. High Resolution Electronic Spectroscopy of Small Molecules explores both theoretical and experimental approaches to understanding the electronic spectra of small molecules, and explains how this information translates to practice. Professors Geoffrey Duxbury and Alexander Alijah present the links between spectroscopy and photochemistry, and discuss theoretical treatments of the interaction between different electronic states. They provide a thorough discussion of experimental techniques, and explore practical applications. This book will be an indispensable reference for graduate students and researchers in physics and chemistry working on theoretical and practical aspects of electronic spectra, as well as atmospheric scientists, photochemists, kineticists and professional spectroscopists.

Surfactants play a critical role in Tribology controlling friction, wear, and lubricant properties such as emulsification, demulsification, bioresistance, oxidation resistance, rust prevention and corrosion resistance. This is a critical topic for new materials and devices particularly those built at the nanoscale. This newest volume will address tribological properties of cutting fluids, lubricant performance related to steel surfaces, biolubricants, and novel materials and ways to reduce friction and wear. Scientists from industrial research and development (R&D) organizations and academic research teams in Asia, Europe, the Middle East and North America will participate in the work.

This book cover advances in the study of processes of nonlinear propagation of continuous and pulsed laser radiation in a continuous and micro structured optical media. It details distributed fiber-optical measuring systems, the physical basis of ultra-low laser cooling of atoms, and studies of optical and nonlinear optical properties of nanostructured heterogeneous systems.

In the 1970s, Density Functional Theory (DFT) was borrowed from physics and adapted to chemistry by a handful of visionaries. Now chemical DFT is a diverse and rapidly growing field, its progress fueled by numerous developing practical descriptors that make DFT as useful as it is vast. With 34 chapters written by 65 eminent scientists from 13 different countries, Chemical Reactivity Theory: A Density Functional View represents the true collaborative spirit and excitement of purpose engendered by the study and use of DFT. This work instructs readers on how concepts from DFT can be used to describe, understand, and predict chemical reactivity. Prior knowledge is not required as early chapters, written by the field's original pioneers, cover basic ground-state DFT and its extensions to time-dependent systems, excited states, and spin-polarized molecules. While the text is accessible to senior undergraduate or beginning graduate students, experienced researchers are certain to find interesting new insights in the perspectives presented by these seasoned experts. This remarkable one-of-a-kind resource- Provides authoritative accounts on aspects of the theory of chemical reactivity Describes various global reactivity descriptors, such as electronegativity, hardness, and electrophilicity Introduces and analyzes the usefulness of local reactivity descriptors such as Fukui, shape, and electron localization functions Offers an in-depth analysis of how chemical reactivity changes during different physicochemical processes or in the presence of external perturbations The book covers a gamut of related topics such as methods for determining atoms-in-molecules, population analysis, electrostatic potential, molecular quantum similarity, aromaticity, and biological activity. It also discusses the role of reactivity concepts in industrial and other practical applications. Whether you are searching for new products or new research projects, this is the ultimate guide for understanding chemical reactivity.

Databook of UV Stabilizers, Second Edition, provides general indicators regarding the performance of UV stabilizers and includes details on the data fields included in the description of individual stabilizers. It provides details such as acronyms, molecular weight, odor, product form, transmittance, DOT hazard class, NFPA flammability/reactivity, aquatic toxicity, typical applications, processing methods, conditions to avoid, and much more for each stabilizer covered. Importantly, the Ecological properties section contains data on Biodegradation probability, Aquatic toxicity LC (Algae, Rainbow trout, Bluegill sunfish, Fathead minnow, Zebrafish, and Daphnia magna), Bioaccumulation potential, Bioconcentration factor, Biodegradation probability, Hydroxyl rate, and Partition coefficients (log Koc, log Kow). This book is an excellent companion to the Handbook of UV stabilizers which has also been published recently. Both books supplement each other without repeating the same information - one contains data another theory, mechanisms of action, practical effects and implications of application

This textbook concerns thermal properties of bulk matter and is aimed at advanced undergraduate or first-year graduate students in a range of programs in science or engineering. It provides an intermediate level presentation of statistical thermodynamics for students in the physical sciences (chemistry, nanosciences, physics) or related areas of applied science/engineering (chemical engineering, materials science, nanotechnology engineering), as they are areas in which statistical mechanical concepts play important roles. The book enables students to utilize microscopic concepts to achieve a better understanding of macroscopic phenomena and to be able to apply these concepts to the types of sub-macroscopic systems encountered in areas of nanoscience and nanotechnology.

Food scientists aim to control the taste and texture of existing food products and to formulate new structures of high quality using novel combinations of ingredients and processing methods. Food Colloids, Biopolymers and Materials describes the physical chemistry and material science underlying the formulation and behaviour of multi-phase food systems and includes: * descriptions of new experimental techniques * recent food colloids research findings * authoritative overviews of conceptual issues Essential new findings are presented and emphasis is placed on the interfacial and gelation properties of food proteins, and the role of colloidal and biopolymer interactions in determining the properties of emulsions, dispersions, gels and foams. Specific topics include: confocal microscopy; diffusing wave spectroscopy; protein-polysaccharide interactions; biopolymer phase separation; fat crystallization; bubble/droplet coalescence; and bulk and surface rheology. This book is the latest addition to the highly regarded food colloid series published by the Royal Society of Chemistry and is of relevance to those working and researching in food science and surface and colloid science.

PVC Degradation and Stabilization, Fourth Edition, includes new developments in PVC production, new stabilization methods and mechanisms, new approaches to plasticization, methods of waste reprocessing, accelerated degradation due to electric breakdown, and much more. The book contains all the information necessary for the successful design of stabilization formulas in any PVC-based product. Other topics covered include degradation by thermal energy, UV, gamma and other forms of radiation, chemical degradation, and more. Analytical methods for studying degradative and stabilization processes aid readers in establishing a system for verifying results of stabilization with different stabilizing systems. Many new topics included in this edition are of particular interest today. These comprise new developments in PVC production yielding range of new grades, new stabilization methods and mechanisms (e.g. synergistic mixtures containing hydrotalcites and their synthetic equivalents, beta-diketones, functionalized fillers, Shiff bases), new approaches to plasticization, methods of waste reprocessing (life cycle assessment, reformulation, biodegradable materials, and energy recovery), accelerated degradation due to electric breakdown, and many more

Introducing the application of free energy correlations to elucidating the mechanisms of organic and bio-organic reactions, this book provides a new and illuminating way of approaching a potentially complex topic. The idea of how free energy correlations derive from polar substituent change is introduced, and common pitfalls encountered in the application of free energy relationships are described, along with the use of these anomalies in mechanistic studies. The concept of effective charge is described in detail, with examples of its application. Throughout, worked answers are provided for the problems posed. Databases of parameters, an extensive bibliography and comprehensive lists of further reading are also included. The text provides an invaluable source of information to senior undergraduates, postgraduates and to industrial researchers with an interest in mechanistic studies. It is the first such book in more than thirty years.