This multi-author contributed volume gives a comprehensive overview of recent progress in various vibrational spectroscopic techniques and chemometric methods and their applications in chemistry, biology and medicine. In order to meet the needs of readers, the book focuses on recent advances in technical development and potential exploitations of the theory, as well as the new applications of vibrational methods to problems of recent general interest that were difficult or even impossible to achieve in the not so distant past. Integrating vibrational spectroscopy and computational approaches serves as a handbook for people performing vibrational spectroscopy followed by chemometric analysis hence both experimental methods as well as procedures of recommended analysis are described. This volume is written for individuals who develop new methodologies and extend these applications to new realms of chemical and medicinal interest.

C.E. Schaffer: Axel Christian Klixbull Jorgensen (1931-2001) .- P. Day: Whereof Man Cannot Speak: Some Scientific Vocabulary of Michael Faraday and Klixbull Jorgensen .- H.-H. Schmidtke: The Variation of Slater-Condon Parameters Fk and Racah Parameters B and C with Chemical Bonding in Transition Group Complexes .- P.E.

The study of electrochemical nanotechnology has emerged as researchers apply electrochemistry to nanoscience and nanotechnology. These two related volumes in the Modern Aspects of Electrochemistry Series review recent developments and breakthroughs in the specific application of electrochemistry and nanotechnology to biology and medicine. Internationally renowned experts contribute chapters that address both fundamental and practical aspects of several key emerging technologies in biomedicine, such as the processing of new biomaterials, biofunctionalization of surfaces, characterization of biomaterials, discovery of novel phenomena and biological processes occurring at the molecular level.

There is an increasing challenge for chemical industry and research institutions to find cost-efficient and environmentally sound methods of converting natural resources into fuels chemicals and energy. Catalysts are essential to these processes and the Catalysis Specialist Periodical Report series serves to highlight major developments in this area. This series provides systematic and detailed reviews of topics of interest to scientists and engineers in the catalysis field. The coverage includes all major areas of heterogeneous and homogeneous catalysis and also specific applications of catalysis such as NOx control kinetics and experimental techniques such as microcalorimetry. Each chapter is compiled by recognised experts within their specialist fields and provides a summary of the current literature. This series will be of interest to all those in academia and industry who need an up-to-date critical analysis and summary of catalysis research and applications. Catalysis will be of interest to anyone working in academia and industry that needs an up-to-date critical analysis and summary of catalysis research and applications. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading experts in their specialist fields, this series is designed to help the chemistry community keep current with the latest developments in their field. Each volume in the series is published either annually or biennially and is a superb reference point for researchers. www.rsc.org/spr

Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued.

This book draws together leading workers in the fields of mass spectrometry and gas phase ion chemistry, providing a forum for the exchange of ideas and information. It contains 14 lecture summaries and accounts of seven workshops with contributions from Europe and North America.

Superseding Gardiner's "Combustion Chemistry", this is an updated, comprehensive coverage of those aspects of combustion chemistry relevant to gas-phase combustion of hydrocarbons. The book includes an extended discussion of air pollutant chemistry and aspects of combustion, and reviews elementary reactions of nitrogen, sulfur and chlorine compounds that are relevant to combustion. Methods of combustion modeling and rate coefficient estimation are presented, as well as access to databases for combustion thermochemistry and modeling.

This book describes radionanomedicine as an integrated medicine using exogenous and endogenous This book describes radionanomedicine as an integrated approach that uses exogenous and endogenous nanomaterials for in vivo and human applications. It comprehensively explains radionanomedicine comprising nuclear and nanomedicine, demonstrating that it is more than radionanodrugs and that radionanomedicine also takes advantage of nuclear medicine using trace technology, in which miniscule amounts of materials and tracer kinetic elucidate in vivo biodistribution. It also discusses exogenous nanomaterials such as inorganic silica, iron oxide, upconversion nanoparticles and quantum dots or organic liposomes labelled with radioisotopes, and radionanomaterials used for targeted delivery and imaging for theranostic purposes. Further, it examines endogenous nanomaterials i.e. extracellular vesicles labelled with radioisotopes, known as radiolabelled extracellular vesicles, as well as positron emission tomography (PET) and single photon emission computed tomography (SPECT), which elucidate the biodistribution and potential for therapeutic success.

This volume presents new methodologies and rationalizes existing methods that are used in the design of multi-shell polyhedral clusters. The author describes how the methods used are extended from 2D-operations on maps to 3D (and higher dimensional) Euclidean space. A variety of structures is designed and described in detail and classified giving rise to an atlas of multi-shell nanostructures. The book therefore sheds a new light on the field of crystal and quasicrystal structures, an important part of nanoscience and nanotechnology. The author goes on to show how the recently established methods are used for building complex multi-shell nanostructures and how this completes the existing information in the field. The atlas of such structures is completed with atomic coordinates (included as supplementary material). The content of this book gives a useful insight into structure elucidation and suggests new material synthesis.

In this thesis, the focus is on the study of new catalytic properties of unsupported nanoporous metals in heterogeneous organic reactions under liquid-phase conditions. The author was the first to fabricate nanoporous copper with tunable nanoporosity and apply it for organic reactions. The catalyst can be reused up to ten times without loss of catalytic activity. In addition, the author developed the highly selective semihydrogenation of alkynes using nanoporous gold as a catalyst for the first time, affording Z-alkenes in 100% selectivity, which cannot be realized by traditional catalysts. All of the results described here will help readers to develop new catalytic performance of nanoporous metals for organic reactions.

Energy Dissipation in Molecular Systems analyzes experimental data on the redistribution and dissipation of energy injected into molecular systems by radiation or charged particles. These processes, competing with such practically important relaxation channels as chemical reaction or stimulated emission (laser action), are the primary focus in this monograph. Among other topics, the book treats vibrational redistribution and electronic relaxation in isolated molecules and the effects of inter-molecular interactions (collisions, complex formation, solvent effects) on the relaxation paths. Primary photo-chemical processes (such as isomerization, proton or hydrogen-atom transfer, electron transfer and ionization) are also treated as particular cases of vibrational or electronic relaxation. Only a basic knowledge of quantum mechanics and spectroscopy is assumed and calculations are kept to a strict minimum, making the book more accessible to students.

Since several excellent books have appeared on the issue of chemical and biochemical sensing, this compendium concentrates on recent creative new approaches using chemical means for the detection and quanti?cation of - portant analytes. These are presented either from a technical viewpoint or fromtheperspectiveofselectivemolecularrecognitionwitharti?cialreceptor molecules. Consequently, the entire book is subdivided into two categories, i. e. , natural targetsand detection techniques. In the ?rst part, the challenging task of sensing peptides and proteins as wellassaccharidesisaddressedfromseveralperspectives:Smalllibrarieswith maximum diversity are ef?ciently used to reach high af?nity and selectivity of arti?cial hosts for short peptide sequences. Preorganized aromatic vessels are tailored for certain protein epitopes and shown to selectively address the prion protein, and a new conjugation technique operating at physiological conditions on helix-loop-helix motifs, leads to protein binders of exquisite af?nity. Finally, elegant sensor systems for multifunctional carbohydrates in their naturalform,whichuse theprinciple ofphoto-induced electrontransfer for ?uorescence detection, are presented. The second part of this book is devoted to creative detection techniques employing chemical processes: Liposomes with integral self-assembled - acetylene lipid areas show an intense blue color, which gradually changes to red if biological analytes of various sizes speci?cally interact with emb- ded hosts. Principal component analysis and arti?cial neuronal networks are novel methods to quantitatively analyze complex mixtures. An alternative - proach uses arti?cial peptidic pores, which are able to release self-quenched ?uorophoresthataresubstitutedbytighterbindinganalytes.

Valentine P. Ananikov, Irina P. Beletskaya: Alkyne and alkene insertion into metal-heteroatom and metal-hydrogen bonds the key stages of hydrofunctionalization process.- Akihiko Ishii* and Norio Nakata: The Mechanism for Transition Metal-Catalyzed Hydrochalcogenation of Unsaturated Organic Molecules.- A. L. Reznichenko and Kai C. Hultzsch: Early Transition Metal (Group 3-5, Lanthanides and Actinides) and Main Group Metal (Group 1, 2, and 13) Catalyzed Hydroamination.- Naoko Nishina and Yoshinori Yamamoto: Late transition metal catalyzed hydroamination.- Sumod A. Pullarkat and Pak-Hing Leung: Chiral Metal Complex Promoted Asymmetric Hydrophosphinations.- Masato Tanaka: Recent Progress in Transition Metal-Catalyzed Addition Reactions of H-P(O) Compounds with Unsaturated Carbon Linkages.- Christian Bruneau: Group 8 metals-catalyzed O-H bond addition to unsaturated molecules.- Giorgio Abbiati, Egle M. Beccalli, Elisabetta Rossi: Groups 9 and 10 metals-catalyzed O-H bond addition to unsaturated molecules.- Nuria Huguet and Antonio M. Echavarren: Gold-Catalyzed O-H Bond Addition to Unsaturated Organic Molecules.- Akiya Ogawa: Transition-Metal-Catalyzed S-H and Se-H Bonds Addition to Unsaturated Molecules."

This textbook offers an introduction to multiple, interdependent transport phenomena as they occur in various fields of physics and technology like transport of momentum, heat, and matter. These phenomena are found in a number of combined processes in the fields of chemical, food, biomedical, and environmental sciences. The book puts a special emphasis on numerical modeling of both purely diffusive mechanisms and macroscopic transport such as fluid dynamics, heat and mass convection. To favor the applicability of the various concepts, they are presented with a simplicity of exposure, and synthesis has been preferred with respect to completeness. The book includes more than 130 graphs and figures, to facilitate the understanding of the various topics. It also presents many modeling examples throughout the text, to control that the learned material is properly understood. There are some typos in the text. You can see the corrections here: http://www.springer.com/cda/content/document/cda_downloaddocument/ErrataCorrige_v0.pdf?SGWID=0-0-45-1679320-p181107156

This is a comprehensive piece of work providing the reader a powerful resource for the design, development and performance evaluation of photocatalytic reactors. This book will be used as a reference for a graduate course in photocatalysis. It will also be valuable to undergraduate students, graduate students, researchers, environmental consultants or advisors, environmental auditors, engineers, technicians, scientists, governmental agencies, and environmental agencies or institutions interested in photocatalysis. This book will be a guide to the understanding of the principles and of the applications of photocatalysis technology. The book is also organized in such a manner that there is always good integration of basic principles, literature review, and applications.

The main focus of this book is on the chemical reaction engineering aspects of the heterogeneous photocatalysis. Special attention is addressed to kinetic modeling, reactor irradiation, and reactor design of photochemical reactors. The book also reports an interesting review of practical applications of pollutant conversion in water and air.

Despite the fact that many years have elapsed since the first microcalorimetric measurements of an action potential were made, there is still among the research workers involved in the study of bioelectrogenesis a complete overlooking of the most fundamental principle governing any biological phenomenon at the molecular scale of dimension. This is surprising, the more so that the techniques of molecular biology are applied to characterize the proteins forming the ionic conducting sites in living membranes. For reasons that are still obscure to us the molecular aspects of bioelectrogenesis are completely out of the scope of the dynamic aspects of biochemistry. Even if it is sometimes recognized that an action potential is a free energy-consuming, entropy-producing process, the next question that should reasonably arise is never taken into consideration. There is indeed a complete evasion of the problem of biochemical energy coupling thus reducing the bioelectrogenesis to only physical interactions of membrane proteins with the electric field: the inbuilt postulate is that no molecular transformations, in the chemical sense, could be involved.

This book builds on and extends the previous book: Perfumery: the psychology and biology of fragrance. Thus, a large part of the book reviews the latest evidence on olfaction research which is relevant to the study of perfumery psychology.

Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued.

The breadth of scientific and technological interests in the general topic of photochemistry is truly enormous and includes, for example, such diverse areas as microelectronics, atmospheric chemistry, organic synthesis, non-conventional photoimaging, photosynthesis, solar energy conversion, polymer technologies, and spectroscopy. This Specialist Periodical Report on Photochemistry aims to provide an annual review of photo-induced processes that have relevance to the above wide-ranging academic and commercial disciplines, and interests in chemistry, physics, biology and technology. In order to provide easy access to this vast and varied literature, each volume of Photochemistry comprises sections concerned with photophysical processes in condensed phases, organic aspects which are sub-divided by chromophore type, polymer photochemistry, and photochemical aspects of solar energy conversion. Volume 34 covers literature published from July 2001 to June 2002. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis.

This advanced textbook teaches readers to design kinetic experiments involving heterogeneous catalysts, to characterize these catalysts, to acquire rate data, to find heat and mass transfer limitations in these data, to select reaction models, to derive rate expressions based on these models, and to assess the consistency of these rate equations. Special emphasis is placed on assessing mass transfer effects. Discussion of adsorption isotherms and reaction models explains the limitations of these models and their application. Ideal and nonideal surfaces are considered, as well as enzyme catalysis. It contains exercises and worked examples abound. The book will be used in courses in kinetics or catalysis and also as a supplement in advanced chemical engineering courses on kinetics and reactor design. It will be used in the disciplines of Chemical Engineering, Materials Science, Fuels Science, and Chemistry.

Chemical Kinetics and Reaction Dynamics brings together the major facts and theories relating to the rates with which chemical reactions occur from both the macroscopic and microscopic point of view. This book helps the reader achieve a thorough understanding of the principles of chemical kinetics and includes:

• Detailed stereochemical discussions of reaction steps
• Classical theory based calculations of state-to-state rate constants
• A collection of matters on kinetics of various special reactions such as micellar catalysis, phase transfer catalysis, inhibition processes, oscillatory reactions, solid-state reactions, and polymerization reactions at a single source.

The growth of the chemical industry greatly depends on the application of chemical kinetics, catalysts and catalytic processes. This volume is therefore an invaluable resource for all academics, industrial researchers and students interested in kinetics, molecular reaction dynamics, and the mechanisms of chemical reactions.

This book explains the usage and application of Molecular Quantum Dynamics, the methodology where both the electrons and the nuclei in a molecule are treated with quantum mechanical calculations. This volume of Lecture Notes in Chemistry addresses graduate students and postdocs in the field of theoretical chemistry, as well as postgraduate students, researchers and teachers from neighboring fields, such as quantum physics, biochemistry, biophysics, or anyone else who is interested in this rising method in theoretical chemistry, and who wants to gain experience in the opportunities it can offer. It can also be useful for teachers interested in illustrative examples of time-dependent quantum mechanics as animations of realistic wave packets have been designed to assist in visualization. Assuming a basic knowledge about quantum mechanics, the authors link their explanations to recent experimental investigations where Molecular Quantum Dynamics proved successful and necessary for the understanding of the experimental results. Examples including reactive scattering, photochemistry, tunneling, femto- and attosecond chemistry and spectroscopy, cold chemistry or crossed-beam experiments illustrate the power of the method. The book restricts complicated formalism to the necessary and in a self-contained and clearly explained way, offering the reader an introduction to, and instructions for, practical exercises. Continuative explanation and math are optionally supplemented for the interested reader. The reader learns how to apply example simulations with the MCTDH program package (Multi Configuration Time Dependent Hartree calculations). Readers can thus obtain the tools to run their own simulations and apply them to their problems. Selected scripts and program code from the examples are made available as supplementary material. This book bridges the gap between the existing textbooks on fundamental theoretical chemistry and research monographs focusing on sophisticated applications. It is a must-read for everyone who wants to gain a sound understanding of Molecular Quantum Dynamics simulations and to obtain basic experience in running their own simulations.

This thesis focuses on the theoretical description of electro-osmosis of polymer solutions. In particular, it emphasizes the importance of considering non-uniform profiles of the solution viscosity and polymer concentration near a solid surface. The thesis begins with an introduction to fundamental theories and experimental observations for beginners in this field, concerning electrolyte solutions, electric double layers, and electrokinetics. In Chapter 2, the author discusses the linear response of electro-osmotic flow with respect to applied electric fields in aqueous polyelectrolyte solutions, and predicts a possibility of flow reversal caused by oppositely charged polyelectrolytes adsorbed on a charged surface. In Chapter 3, the author extends the discussion to non-linear electro-osmotic flow driven by applied electric fields in neutral polymer solutions. The dynamics of polymers are modeled and simulated using Brownian dynamics and kinetic theory. Finally, the thesis is summarized in Chapter 4. The introduction provides a comprehensive review of electrokinetics for graduate students and researchers interested in soft matter physics. An additional attraction is that readers can effectively learn various theoretical approaches to electro-osmosis.

Hydrogen peroxide is a chemical that is becoming increasingly fashionable as an oxidant, both in industry and in academia and whose production is expected to increase significantly in the next few years. This growth in interest is largely due to environmental considerations related to the clean nature of hydrogen peroxide as an oxidant, its by-product being only water. To date this chemical has largely been employed as a non-selective oxidant in operations like the bleaching of paper, cellulose and textiles, or in the formulation of detergents, and only to a minimal extent in the manufacture of organic chemicals. This book has been organized to cover the different aspects of the chemistry of hydrogen peroxide. The various chapters into which the book is divided have been written critically by the authors with the general aim of stimulating new ideas and emphasizing those aspects that are likely to lead to new developments in organic synthesis in the coming future.

This book systematizes data on the heterophase states and their evolution in perovskite-type ferroelectric solid solutions. It also provides a general interpretation of heterophase and domain structures on changing temperature, composition or electric field, as well as the complete analysis of interconnections domain structures, unit-cell parameters changes, heterophase structures and stress relief. The description of numerous examples of heterophase states in lead-free ferroelectric solid solutions is also included. Domain state-interface diagrams contribute to the interpretation of heterophase states in perovskite-type ferroelectric solid solutions and describe the stress relief in the presence of polydomain phases, the behavior of unit-cell parameters of coexisting phases, the effect of external electric field etc. This 2nd edition generalizes the results on the heterophase ferroelectric solid solutions and the stress relief and presents new results on heterophase/domain structures and phase contents in lead-free ferroelectric solid solutions.