Gas phase ion chemistry is a broad field that has many applications and which encompasses various branches of chemistry and physics. "Advances in Gas Phase Ion Chemistry, Volume 4, " describes innovative ways of studying reactions as well as the application of unique apparatuses to problems in this field. This volume contains a series of chapters, in the general area of gas phase chemistry and physics, which are at the cutting edge of research.
The chapters are not meant to be general reviews, but focus on the author's own work. They focus on both experimental and theoretical work, which gives a balance to the volume. Applications are included to appeal to a wider audience and to broaden the knowledge of the more fundamentally inclined. An application to environmental pollution monitoring and medical monitoring of breath is included. With successive volumes, the coverage broadens to include more current research in the title area.
The book is aimed at graduate researchers, university faculty and graduates in industry. The editors have made a specific effort to include contributions from those relatively new to the field, which brings in new ideas and perspectives, as well as those more established workers, who bring a wealth of experience.

A renewed interest in aliphatic polyesters has resulted in developing materials important in the biomedical and ecological fields. Mainly materials such as PLA and PCL homopolymers have so far been used in most applications. There are many other monomers which can be used. Different molecular structures give a wider range of physical properties as well as the possibility of regulating the degradation rate. By using different types of initiators and catalysts, ring-opening polymerization of lactones and lactides provides macromolecules with advanced molecular architectures. In the future, new degradable polymers should be able to participate in the metabolism of nature. Some examples of novel polymers with inherent environmentally favorable properties such as renewability and degradability and a series of interesting monomers found in the metabolisms and cycles of nature are given.

This book is dedicated to gas-phase thermal reactions which take place in engines, burners, and industrial reactors for the production of mechanical or thermal energy, for the incineration of pollutants, or for the manufacture of chemicals. It also studies their effect on the environment: fires, explosions, tropospheric pollution, the greenhouse effect, and holes in the ozone layer. After a short reminder of the concepts and laws of thermodynamics, and of chemical and physical kinetics, the book suggests a methodology for the kinetic modelling of these reactions: generation and reduction of reaction mechanisms, estimation of kinetic data of elementary reactions, estimation of the thermodynamic data and transport data of molecules and free radicals, and analysis and validation of mechanisms by comparison of calculated results with the experimental results obtained using laboratory reactors. The models thus generated carry all the information necessary to allow them to be incorporated into computer programs for the calculation of reactors or of the fluid dynamics of reacting gases. Tables of numerical data and a list of computer programs and URLs complete the book.

The Matching Method for Asymptotic Solutions in Chemical Physics Problems by A. M. Il'in, L. A. Kalyakin, and S. I. Maslennikov
Singularly Perturbed Problems with Boundary and Interior Layers: Theory and Application by V. F. Butuzov and A. B. Vasilieva
Numerical Methods for Singularly Perturbed Boundary Value Problems Modeling Diffusion Processes by V. L. Kolmogorov and G. I. Shishkin
An important addition to the Advances in Chemical Physics series, this volume makes available for the first time in English the work of leading Russian researchers in singular perturbation theory and its application. Since boundary layers were first introduced by Prandtl early in this century, rapid advances have been made in the analytic and numerical investigation of these phenomena, and nowhere have these advances been more notable than in the Russian school of singular perturbation theory. The three chapters in this volume treat various aspects of singular perturbations and their numerical solution, and represent some of the best work done in this area:
* The first chapter, "The Matching Method for Asymptotic Solutions in Chemical Physics Problems," is concerned with the analysis of some singular perturbation problems that arise in chemical kinetics. In this chapter the matching method is applied to find asymptotic solutions to some dynamical systems of ordinary differential equations whose solutions have multiscale time dependence.
* The second chapter, "Singularly Perturbed Problems with Boundary and Interior Layers: Theory and Application," offers a comprehensive overview of the theory and application of asymptotic approximations for many different kinds of problems in chemical physics governed by either ordinary or partial differential equations with boundary and interior layers.
* The third chapter, "Numerical Methods for Singularly Perturbed Boundary Value Problems Modeling Diffusion Processes," discusses the numerical difficulties that arise in solving the problems described in the first two chapters, and proposes rigorous criteria for determining whether or not a numerical method is satisfactory for such problems. Methods satisfying these criteria are then constructed and applied to obtain numerical solutions to a range of sample problems.

Timely, authoritative, and invaluable to researchers in all areas of chemical physics, Singular Perturbation Problems in Chemical Physics is an essential resource.

Protein glycosylation is now acknowledged as a major posttranslational modification with significant effects on protein folding, conformation distri- bution, stability, and activity. The added oligosaccharide chains are large and diverse and have specific recognition motifs important in many aspects of cell interactions and regulation. As such, there is a growing need to communicate the analytical methods of the specialist carbohydrate chemist, biochemist, and physicochemist to protein experts and the pharmaceutical industry. Other areas that come under the influence of the glycosciences are DNA interactions with ubiquitous saccharide-containing antibiotics and antitumor drugs; inhibitors of viral infection; bacterial, mycobacterial, and parasite antigens; glycolipids; glycophosphatidylinositol protein membrane anchors; and (glyco)protein- proteoglycan interactions. Compared to the first edition of this book, Glycopro- tein Analysis in Biomedicine, less emphasis is given to biomedical aspects, but these chapters are still pertinent today. The significant differences in the con- tent relate to advances in analysis relevant to biotechnology; for example, the production of recombinant glycoproteins and other therapeutics. It must also not be forgotten that the methods here described in Glycoanalysis Protocols are relevant to exploiting the commercial potential of carbohydrates in fields related to agriculture, food, and the domestic and chemical industries. The emphasis of the book remains in bringing the glycosciences into mainstream biochemistry. The analytical methods covered in Glycoanalysis Protocols are the re- sult of experts translating their life's works into easy-to-follow recipes.

This book provides an interdisciplinary presentation of the current knowledge of pattern formation in complex system, with sufficiently many details, tools, and concrete examples to be useful for the graduate student or scientist entering this area of research.

This book presents an up to date review of many aspects of Interfacial Electrochemistry and points direction of future developments. Traditional routes for the study of the electrochemical interface are reviewed, critically discussed and the available experimental data is analysed. Complementary information is presented as obtained from the sucessful application of the various in-situ reflectance spectroscopies. The use of single crystal face electrodes to study the electrochemical interface is emphasized with particular relevan- ce to the technique to prepare clean surfaces. Some relevant re- sults obtained for single crystal face electrodes are presented. This book presents also the techniques to study other interfaces such-as the ionic-solution, immiscible liquid-liquid and gas-so- lid interfaces. The information gained 'is put in parallel to the solid-electrolyte solution interface. More specific aspects of the electrochemical interface are covered with chapters on phase-transitions occuring on 2D ad- sorbed layers and on electrochemical kinetics where the dependen- ce of the electrochemical rate parameters upon the solvent struc- ture and electrode material is emphasized. The final chapters reviews of the present state of solvent models interfaces and the recently developed theories of the eleGBP trochemical interfaces in which an association is made of models for the metal with the models for the electrolyte solution. This book is a result of a NATO A. S. 1. on "Trends in Interfacial Electrochemistry", held in Viana do Castelo from 2 to 13th July 1984 which brought together experts of the above men- tioned aspects of Interfacial Electrochemistry.

David I.A. Millar's thesis explores the effects of extreme conditions on energetic materials. His study identifies and structurally characterises new polymorphs obtained at high pressures and/or temperatures. The performance of energetic materials (pyrotechnics, propellants and explosives) can depend on a number of factors including sensitivity to detonation, detonation velocity, and chemical and thermal stability. Polymorphism and solid-state phase transitions may therefore have significant consequences for the performance and safety of energetic materials. In order to model the behaviour of these important materials effectively under operational conditions it is essential to obtain detailed structural information at a range of temperatures and pressures.

Advances in Physical Organic Chemistry series is the definitive resource for authoritative reviews of work in physical organic chemistry. It aims to provide a valuable source of information not only for physical organic chemists applying their expertise to both novel and traditional problems, but also for non-specialists across diverse areas who identify a physical organic component in their approach to research. Its hallmark is a quantitative, molecular level understanding of phenomena across a diverse range of disciplines.

Volume 16 marks the beginning of a special topic series devoted to modern techniques in protein NMR, under the Biological Magnetic Resonance series. This volume is being followed by Volume 17 with the subtitle Structure Computation and Dynamics in Protein NMR. Volumes 16 and 17 present some of the recent, significant advances in biomolecular NMR field with emphasis on developments during the last five years. We are honored to have brought together in these volumes some of the world's foremost experts who have provided broad leadership in advancing this field. Volume 16 contains advances in two broad categories: the first, Large Proteins, Complexes, and Membrane Proteins, and second, Pulse Methods. Volume 17, which will follow covers major advances in Computational Methods, and Structure and Dynamics. In the opening chapter of Volume 16, Marius Clore and Angela Gronenborn give a brief review of NMR strategies including the use of long range restraints in the structure determination of large proteins and protein complexes. In the next two chapters, Lewis Kay and Ron Venters and their collaborators describe state-of-t- art advances in the study of perdeuterated large proteins. They are followed by Stanley Opella and co-workers who present recent developments in the study of membrane proteins. (A related topic dealing with magnetic field induced residual dipolar couplings in proteins will appear in the section on Structure and Dynamics in Volume 17).

Imposingly thick text derived from a one-semester course intended to acquaint advanced undergraduate (and beginning graduate) students with the concepts and methods of linear mathematics. Though physics is referred to in the title, the book is in almost every organizational and notational respect

Extracellular MRI and X-ray contrast agents are characterized by their phar- cokinetic behaviour.After intravascular injection their plasma-level time curve is characeterized by two phases. The agents are rapidly distributed between plasma and interstitial spaces followed by renal elimination with a terminal half-live of approximatly 1-2 hours. They are excreted via the kidneys in unchanged form by glomerular filtration. Extracellular water-soluble contrast agents to be applied for X-ray imaging were introduced into clinical practice in 1923. Since that time they have proved to be most valuable tools in diagnostics.They contain iodine as the element of choice with a sufficiently high atomic weight difference to organic tissue. As positive contrast agents their attenuation of radiation is higher compared with the attenuation of the surrounding tissue. By this contrast enhancement X-ray diagnostics could be improved dramatically. In 2,4,6-triiodobenzoic acid derivatives iodine is firmly bound. Nowadays diamides of the 2,4,6-triiodo-5-acylamino-isophthalic acid like iopromide (Ultravist, Fig. 1) are used as non-ionic (neutral) X-ray contrast agents in most cases [1].

* Physical chemists will find this book comprehensive. Topical reviews on all aspects of colloidal ordering and related phase transitions will be covered. It provides a good blend of experimental and theoretical investigations.
* Useful to materials scientists and chemical engineers, the book includes a discussion of stability, important from the point of view of applications of colloidal crystals.
* Physicists will be interested in the book, because it highlights the controversy over effective interparticle interaction in charged colloids.

The authors explain at length the principles of chemical kinetics and approaches to computerized calculations in modern software suites - mathcad and maple. Mathematics is crucial in determining correlations in chemical processes and requires various numerical approaches. Often significant issues with mathematical formalizations of chemical problems arise and many kinetic problems cant be solved without computers. Numerous problems encountered in solving kinetics calculations with detailed descriptions of the numerical tools are given. Special attention is given to electrochemical reactions, which fills a gap in existing texts not covering this topic in detail. The material demonstrates how these suites provide quick and precise behavior predictions for a system over time (for postulated mechanisms).Examples, i.e., oscillating and non-isothermal reactions, help explain the use of mathcad more efficiently. Also included are the results of authors' own research toward effective computations.

This book tackles the problematic relationship between Platonic philosophy and Romantic poetry, between the intellect and the emotions. Drawing on contemporary critical theory, especially hermeneutics and deconstruction, the author shows that a dialogue between thinking and poetizing is possible. The volume yields many new insights into both Platonic and Romantic texts and forms an important work for scholars and students of Greek philosophy, Romantic literature and critical theory.

The study of surfaces has experienced dramatic growth over the past decade. Now, the editors of the internationally celebrated series Advances in Chemical Physics have brought together in this self-contained, special topic volume contributions from leading researchers in the field treating some of the most crucial aspects of the experimental and theoretical study of surfaces. This work delves into such core issues as:

• Kinetics and dynamics of hydrogen adsorption on silicon surfaces.
• Potential energy surfaces of transition- metal-catalyzed chemical reactions.
• High-resolution helium atom scattering as a proof of surface vibrations.
• Ordering and phase transitions in adsorbed monolayers of diatomic molecules.
• The influence of dimensionality on static and dynamic properties of a system.
• New applications to fields as varied as catalysts and the passage of molecules through membranes.

This valuable resource provides important insights into the current state of knowledge about surface properties. Prigogine and Rice's latest work will stimulate the imagination and motivate the exploration of other aspects of this fascinating subject.

Oxidative catalysis by metalloporphyrin systems occupies a prominent role in the current research in the fields of chemical and biological catalysis. Our particular interest and approach has been to collect in the same volume papers dealing with both the chemical and biological aspects of the reactivity of heme systems because of the realization that a better understanding of the complementary discipline can be extremely useful for the researchers from either field. The current progress of the research on synthetic metalloporphyrin catalysts has led to the development of several systems that are able to reproduce the heme-enzyme mediated oxygenation and oxidation reactions, at least in terms of reaction types, mechanisms and often rates. These achievements have stimulated the of creating metalloporphyrin catalysts which are both ambitious project efficient and stable enough to become competitive for large-scale industrial processes. Although this project is still far from being realized, the efforts in this direction parallel those aimed at the application of heme enzymes to chemical technologies, e. g. for the mild, selective oxidation of organics or the detoxification of pollutants. Both the two approaches will be advantageous because while the enzyme systems can achieve selectivities which are probably unattainable by synthetic catalysts, the latter can be active under experimental conditions that would readily inactivate the enzymes.

NMR of Ordered Liquids gives a unique overview of the scope and limitations of the NMR of oriented liquids, based on contributions from acknowledged experts in the field. The book consists of four sections:

-detailed general introduction which covers the basic principles and sophisticated experimental techniques;
-wide variety of applications ranging from NMR studies of small atoms and molecules in anisotropic liquids to the utilization of residual dipolar couplings for structure determination of biological molecules;
-summary of the sophisticated theoretical treatments, computer simulations, and phenomenological models for anisotropic intermolecular interactions that are widely used in the analysis of experimental results;
-overview of the dynamical aspects and relaxation processes relevant for orientationally ordered molecules.

In addition to structure formation in crystallizing polymers and semicrystalline polymers, this second edition completes the topic of transport phenomena. It also reviews solidification by crystallization during cooling and under flow or pressure, which all play an enormous role in polymer melt processing. Generally, there is an intensive interaction between three transport phenomena: heat transfer, momentum transfer (flow, rheology) and (flow induced) crystallization. The strong interaction between the three transport phenomena is a major challenge when it comes to experimentation, and advances in this area are detailed in the book, guiding further development of sound modeling. This book enables readers to follow an advanced course in polymer processing. It is a valuable resource for polymer chemists, applied physicists, rheologists, plastics engineers, mold makers and material scientists.

Sonochemistry is studied primarily by chemists and sonoluminescence mainly by physicists, but a single physical phenomenon - acoustic cavitation - unites the two areas. The physics of cavitation bubble collapse, is relatively well understood by acoustical physicists but remains practically unknown to the chemists. By contrast, the chemistry that gives rise to electromagnetic emissions and the acceleration of chemical reactions is familiar to chemists, but practically unknown to acoustical physicists. It is just this knowledge gap that the present volume addresses. The first section of the book addresses the fundamentals of cavitation, leading to a more extensive discussion of the fundamentals of cavitation bubble dynamics in section two. A section on single bubble sonoluminescence follows. The two following sections address the new scientific discipline of sonochemistry, and the volume concludes with a section giving detailed descriptions of the applications of sonochemistry. The mixture of tutorial lectures and detailed research articles means that the book can serve as an introduction as well as a comprehensive and detailed review of these two interesting and topical subjects.

Biological membranes play a central role in cell structure, shape and functions. However, investigating the membrane bilayer has proved to be difficult due to its highly dynamic and anisotropic structure, which generates steep gradients at the nanometer scale. Due to the decisive impact of recently developed fluorescence-based techniques, tremendous advances have been made in the last few years in our understanding of membrane characteristics and functions. In this context, the present book illustrates some of these major advances by collecting review articles written by highly respected experts. The book is organized in three parts, the first of which deals with membrane probes and model membranes. The second part describes the use of advanced quantitative and high-resolution techniques to explore the properties of biological membranes, illustrating the key progress made regarding membrane organization, dynamics and interactions. The third part is focused on the investigation of membrane proteins using the same techniques, and notably on the membrane receptors that play a central role in signaling pathways and therapeutic strategies. All chapters provide comprehensive information on membranes and their exploration for beginners in the field and advanced researchers alike.

A practical approach to chemical reaction kinetics from basic concepts to laboratory methods featuring numerous real-world examples and case studies This book focuses on fundamental aspects of reaction kinetics with an emphasis on mathematical methods for analyzing experimental data and interpreting results. It describes basic concepts of reaction kinetics, parameters for measuring the progress of chemical reactions, variables that affect reaction rates, and ideal reactor performance. Mathematical methods for determining reaction kinetic parameters are described in detail with the help of real-world examples and fully-worked step-by-step solutions. Both analytical and numerical solutions are exemplified. The book begins with an introduction to the basic concepts of stoichiometry, thermodynamics, and chemical kinetics. This is followed by chapters featuring in-depth discussions of reaction kinetics; methods for studying irreversible reactions with one, two and three components; reversible reactions; and complex reactions. In the concluding chapters the author addresses reaction mechanisms, enzymatic reactions, data reconciliation, parameters, and examples of industrial reaction kinetics. Throughout the book industrial case studies are presented with step-by-step solutions, and further problems are provided at the end of each chapter. * Takes a practical approach to chemical reaction kinetics basic concepts and methods * Features numerous illustrative case studies based on the author s extensive experience in the industry * Provides essential information for chemical and process engineers, catalysis researchers, and professionals involved in developing kinetic models * Functions as a student textbook on the basic principles of chemical kinetics for homogeneous catalysis * Describes mathematical methods to determine reaction kinetic parameters with the help of industrial case studies, examples, and step-by-step solutions Chemical Reaction Kinetics is a valuable working resource for academic researchers, scientists, engineers, and catalyst manufacturers interested in kinetic modeling, parameter estimation, catalyst evaluation, process development, reactor modeling, and process simulation. It is also an ideal textbook for undergraduate and graduate-level courses in chemical kinetics, homogeneous catalysis, chemical reaction engineering, and petrochemical engineering, biotechnology.

The field of quantum and molecular simulations has experienced strong growth since the time of the early software packages. A recent study, showed a large increase in the number of people publishing papers based on ab initio methods from about 3,000 in 1991 to roughly 20,000 in 2009, with particularly strong growth in East Asia. Looking to the future, the question remains as to how these methods can be further integrated into the R&D value chain, bridging the gap from engineering to manufacturing.

Using successful case studies as a framework, Industrial Applications of Molecular Simulations demonstrates the capability of molecular modeling to tackle problems of industrial relevance. This book presents a wide range of various modeling techniques, including methods based on quantum or classical mechanics, molecular dynamics, Monte Carlo simulations, etc. It also explores a wide range of materials, from soft materials such as polymeric blends widely used in the chemical industry to hard or inorganic materials such as glasses and alumina.

Features

• Demonstrates how modeling can solve everyday problems for scientists in industry
• Provides a broad overview of theoretical approaches
• Presents a wide range of applications in areas such as materials research, catalysis, pharmaceutical development and electronics
• Emphasizes the relationship between theory and experiments

This book should be of interest to introductory and general text for students in chemistry, physical chemistry and physical sciences.

This book is the result of a NATO Advanced Research Workshop held in Vimeiro, Portugal, in May 1992. The objectives of this Workshop were: i) to promote exchange of knowledge between experts in various fields of discharge modeling, plasma diagnostics and microwave plasma applications; ii) to assess the state-of-the-art in this field from a multidisciplinary viewpoint; iii) to identify basic points needing clarification and to estab- lish basic guidelines for future research; iv) to compare the properties of microwave dis- charges to those of RF discharges, as plasma sources for specific applications. Most of the contributors to this book are well known scientists in the field of mi- crowave discharge sources, modeling, diagnostics and applications. The book provides an up-to-date review in this field which should be useful for both the fundamentalists and those using these systems in applications such as surface treatment and elemental analysis. We are gmteful to a number of organizations for providing the fmancial assistance that made the Workshop possible. Foremost is the NATO Scientific Affairs Division, which provided the major contribution for the Workshop. In addition, the following Por- tuguese sources made contributions: Instituto Nacional de Investiga~iio Cientifica, Junta Nacional de Investiga~iio Cientifica e Tecnologica, Centro de Electrodinamica da Univer- sidade Tecnica de Lisboa, Instituto Superior Tecnico, Banco Nacional Ultmmarino, and Regiiio de Turismo do Oeste.