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.

Protein folding and aggregation is the process by which newly synthesized proteins fold into the specific three-dimensional structures defining their biologically active states. It has always been a major focus of research in biochemistry and has often been seen as the unsolved second part of the genetic code. In the last 10 years we have witnessed a quantum leap in the research in this exciting area. Computational methods have improved to the extent of making possible to simulate the complete folding process of small proteins and the early stages of protein aggregation. Experimental methods have evolved to permit resolving fast processes of folding reactions and visualizing single molecules during folding. The findings from these novel experiments and detailed computer simulations have confirmed the main predictions of analytical theory of protein folding. In summary, protein folding research has finally acquired the status of a truly quantitative science, paving the way for more exciting developments in the near future. This unique book covers all the modern approaches and the many advances experienced in the field during the last 10 years. There is also much emphasis on computational methods and studies of protein aggregation which have really flourished in the last decade. It includes chapters in the areas that have witnessed major developments and are written by top experts including:computer simulations of folding, fast folding, single molecule spectroscopy, protein design, aggregation studies (both computational and experimental). Readers will obtain a unique perspective of the problems faced in the biophysical study of protein conformational behaviour in aqueous solution and how these problems are being solved with a multidisciplinary approach that combines theory, experiment and computer simulations. Protein Folding, Misfolding and Aggregation Classical Themes and Novel Approaches is essential reading for graduate students actively involved in protein folding research, other scientists interested in the recent progress of the field and instructors revamping the protein folding section of their biochemistry and biophysics courses.

The work presented in this thesis involves a number of sophisticated experiments highlighting novel applications of the Pixel Imaging Mass Spectrometry (PImMS) camera in the field of photoinduced molecular dynamics. This approach represents the union of a new enabling technology (a multiple memory register, CMOS-based pixel detector) with several modern chemical physics approaches and represents a significant leap forward in capabilities. Applications demonstrated include three-dimensional imaging of photofragment Newton spheres, simultaneous electron-ion detection using a single sensor, and ion-ion velocity correlation measurements that open the door to novel covariance imaging experiments. When combined with Coulomb explosion imaging, such an approach is demonstrated to allow the measurement of molecular structure and motion on a femtosecond timescale. This is illustrated through the controlled photoexcitation of torsional motion in biphenyl molecules and the subsequent real-time measurement of the torsional angle.

The latest edition of this highly acclaimed title introduces the reader to a wide range of spectroscopies, and includes both the background theory and applications to structure determination and chemical analysis. It covers rotational, vibrational, electronic, photoelectron and Auger spectroscopy, as well as EXAFs and the theory of lasers and laser spectroscopy. * A revised and updated edition of a successful, clearly written book* Includes the latest developments in modern laser techniques, such as cavity ring--down spectroscopy and femtosecond lasers* Provides numerous worked examples, calculations and questions at the end of chapters

Reference Data on Multicharged Ions summarizes spectroscopic and collisional atomic data for highly charged positive ions: oscillator strength, energy levels, transition probabilities, cross sections and rate coefficients of different elementary processes taking place in hot plasmas.
The book does not give complicated theory and formulas; it presents the data in abbreviated form using tables, figures and, if possible, scaling laws for different characteristics. The data is interpreted on physical grounds, and ample references are given to the original literature.

This book examines Thomas Hardy's representations of the road and the ways the archaeological and historical record of roads inform his work. Through an analysis of the uneven and often competing road signs found within three of his major novels - The Return of the Native, Tess of the D'Urbervilles, and Jude the Obscure - and by mapping the road travels of his protagonists, this book argues that the road as represented by Hardy provides a palimpsest that critiques the Victorian construction of social and sexual identities. Balancing modern exigencies with mythic possibilities, Hardy's fictive roads exist as contested spaces that channel desire for middle-class assimilation even as they provide the means both to reinforce and to resist conformity to hegemonic authority.

Selecting illustrative examples from the recent literature, this reference studies the underlying principles and physics of a wide range of spectroscopic techniques utilized in the pharmaceutical sciences and demonstrates various applications for each method analyzed in the text-showing how knowledge of the mechanisms of spectroscopic phenomena may facilitate more advanced technologies in the field.

Storage and conversion are critical components of important energy-related technologies. "Advanced Batteries: Materials Science Aspects" employs materials science concepts and tools to describe the critical features that control the behavior of advanced electrochemical storage systems. This volume focuses on the basic phenomena that determine the properties of the components, i.e. electrodes and electrolytes, of advanced systems, as well as experimental methods used to study their critical parameters. This unique materials science approach utilizes concepts and methodologies different from those typical in electrochemical texts, offering a fresh, fundamental and tutorial perspective of advanced battery systems. Graduate students, scientists and engineers interested in electrochemical energy storage and conversion will find "Advanced Batteries: Materials Science Aspects" a valuable reference.

The last few years have seen an unprecedented drive toward the application of proteomics to resolving challenging biomedical and biochemical tasks. Separation techniques combined with modern mass spectrometry are playing a central role in this drive. This book discusses the increasingly important role of mass spectrometry in proteomic research, and emphasizes recent advances in the existing technology and describes the advantages and pitfalls as well.
* Provides a scientifically valid method for analyzing the approximatey 500,000 proteins that are encoded in the human genome
* Explains the hows and whys of using mass spectrometry in proteomic analysis
* Brings together the latest approaches combining separation techniques and mass spectrometry and their application in proteome analysis
* Comments on future challenges and how they may be addressed
* Includes sections on troubleshooting

This book provides an introduction to optical anisotropy (linear dichroism, LD) and optical activity (circular dichroism, CD) as techniques for the study of structures and interactions of molecules in solution. The book covers the use of these techniques for both small and large molecular systems with particular emphasis being placed on proteins and nucleic acids. CD is a well-established technique and this book aims to explain how it can be used simply and effectively for new entrants to the field as well as covering more advanced techniques for experts. LD is often seen as a rather exotic method intended only for experienced spectroscopists. This book demonstrates that it is an approach with real utility that may be used by both students and scientists from graduate level onwards to give simple answers, which are not available from any other technique, to structural and kinetic questions. Much of the emphasis is on flow orientation of samples in solution phase. The book first describes the techniques and the information they can provide; it then goes on to give specific details on how to actually implement them, including a wide range of examples showing how LD and CD can help with * protein and nucleic acid secondary structure elucidation; * analysis of the formation and rearrangements of fibrous proteins and membrane proteins; * identification of the absolute configuration of small molecules; * determination of the orientation of small molecules in anisotropic media; * assignment of transition moment polarizations; * investigation of binding strengths and geometries of ligand-macromolecule complexes; * 3-D structure determination from LD, molecular replacement and MD modeling. The advantages of combined LD/CD studies are also outlined with examples of DNA/drug complexes and protein insertion into membranes. Taken together the book represents a comprehensive text on the theory and application of LD and CD in the chemical and biological sciences.

This volume is intended to show beginners in modern Fourier Transform-Infrared analysis which technique of infrared analysis should be selected and how to use it to obtain certain information from the most common samples brought into research and analytical laboratories in production industries.

Conjugated polymeric materials and their nanocomposites are widely used for the creation of alternative sources of renewable energy, cell phone screens, mobile gadgets, video players and OLED-TV, as well as organic diodes, transistors, sensors, etc. with field-dependent and spin-assisted electronic properties. Multifrequency EPR Spectroscopy methods can help researchers optimize their structural, magnetic and electronic properties for the creation of more efficient molecular devices. This book will acquaint the reader with the basic properties of conjugated polymers, the fundamentals of EPR Spectroscopy, and the information that can be obtained at different wavebands of EPR spectroscopy.

Metabolomics is a fast growing field in systems biology and offers a powerful and promising approach for a large range of applications. Metabolomics focuses on deriving the concentrations and fluxes of low molecular weight metabolites in bio-fluids, cells or tissue, plants, foods and related samples and this information provides enormous detail on biological systems and their current status. "Mass Spectrometry in Metabolomics: Methods and Protocols "presents a broad coverage of the major mass spectrometry (MS)-based metabolomics methods and applications. MS is one of most powerful and commonly used analytical methods in metabolomics; because so many different MS systems are used in metabolomics, this volume includes a wide variety such as triple quads, time of flight, Fourier transform ion cyclotron resonance and even simple quadrupole systems. A wide range of studies are described, with samples ranging from blood and urine to tissue and even plants. Written in the successful "Methods in Molecular Biology" series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible protocols, and notes on troubleshooting and avoiding known pitfalls.

Authoritative and easily accessible, "Mass Spectrometry in Metabolomics: Methods and Protocols "seeks to serve both professionals and novices with its well-honed methodologies in an effort to further the dynamic field of metabolomics.

Atomic spectrometry has exciting new bio-analytical horizons open to it, principally through the developments in the capabilities of ICP-MS coupled with the inventiveness of experimentalists. This is reflected in the use of the technique for ion-, capillary electrophoresis-, liquid- and gas-chromatographic separation in biological applications, as reported in this book. Traditional (environmental, semiconductor, geological and clinical) applications are also well represented. In addition, recent and future developments in sample introduction devices, multicollector sector, reaction cells and collision cells instruments, as well as co-existence, divergence and potential convergence of atomic and biomolecular mass spectrometries are discussed. Reflecting the current state of practical ICP-MS and drawing together the latest developments in the field, Plasma Source Mass Spectrometry: Current Trends and Future Developments is ideal for university researchers and laboratory practitioners. It will be of interest to all those involved in the development and application of this technique.

This book reviews advances in important and practically relevant homogeneous catalytic transformations, such as single-site olefin polymerizations and chemo- and stereo-selective oxidations. Close attention is paid to the experimental investigation of the active sites of catalytic oxidation systems and their mechanisms. Major subjects include the applications of NMR and EPR spectroscopic techniques and data obtained by other physical methods. The book addresses a broad readership and focus on widespread techniques available in labs with NMR and EPR spectrometers.

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 volume presents a complete and thorough examination of advances in the instrumentation, evaluation, and implementation of UV technology for reliable and efficient data acquisition and analysis. It provides real-world applications in expanding fields such as chemical physics, plasma science, photolithography, laser spectroscopy, astronomy and atmospheric science.

Inelastic neutron scattering (INS) is a spectroscopic technique in which neutrons are used to probe the dynamics of atoms and molecules in solids and liquids. This book is the first, since the late 1960s, to cover the principles and applications of INS as a vibrational-spectroscopic technique. It provides a hands-on account of the use of INS, concentrating on how neutron vibrational spectroscopy can be employed to obtain chemical information on a range of materials that are of interest to chemists, biologists, materials scientists, surface scientists and catalyst researchers. This is an accessible and comprehensive single-volume primary text and reference source.

Raman Spectroscopy in Archaeology and Art History highlights the important contributions Raman spectroscopy makes as a non-destructive method for characterising the chemical composition and structure and in determining the provenance and authenticity of objects of archaeological and historical importance. It brings together studies from diverse areas and represents the first dedicated work on the use of this technique in this increasingly important field. Coverage includes: An Introduction to Raman Spectroscopy, including practical aspects of Raman spectroscopy and complementary techniques; Dyes and Pigments; Artefacts; Biological Materials and Degradation; Jewellery and Precious Stones. The book contains a broad selection of real-world examples in the form of case studies to provide the reader with a true appreciation of the procedures that need to be invoked to derive spectroscopic information from some of the most challenging specimens and systems. Colour illustrations of objects of investigation and a database of 72 Raman spectra of relevant minerals are included. With its extensive examples, Raman Spectroscopy in Archaeology and Art History will be of particular interest to specialists in the field, including researchers and scientific/conservation staff in museums. Academics will find it an invaluable reference to the use of Raman spectroscopy.

Mass Spectrometry: A Foundation Course is a textbook covering the field of mass spectrometry across the chemical, physical, biological, medical and environmental sciences. Sufficient depth is provided for the reader to appreciate the reasons behind and basis for particular experiments. It is uniquely and logically organised to enable the book to form the basis for a university course in mass spectrometry at the undergraduate or postgraduate level. This is achieved by combining specific core sections coupled to optional areas of study tailored to students of the chemical, physical, biological, medical and environmental sciences. Recommended course structures are provided in the front of the book.

Dedicated chapters are included on: organic mass spectrometry; ion chemistry - to emphasise the role of mass spectrometry in fundamental chemistry and physics; biological mass spectrometry including proteomics; mass spectrometry in medicine, environmental and surface science and accelerator mass spectrometry, to emphasise the importance of these areas. Each chapter concludes with key references and additional recommended reading material, making the book an excellent springboard to further study.

Highly readable, easy-to-use and logically presented, Mass Spectrometry: A Foundation Course is an ideal text for students and for those who work with mass spectrometers who wish to gain a solid understanding of the basics in modern mass spectrometry.

"From the reviews: "

"

Although I am not a fan or either "eras" or "omes" you hear all the time that we now live in the era of the proteome. Setting aside the issues of what constitutes proteomics (after all people have been sequencingproteins and studying their structure for a few years nowA... ), and whether the regular appearance of reports of another organisms genome sequence prevents you from saying that we are in the post-genomic era, it is clear that the analysis of large numbers of complex protein mixtures is just about in all of our reach. This is going to be a very important way to look for molecular markers and targets in the battle against cancer.

The bedrock of proteomic analysis is mass spectrometry, which allows you to accurately measure the mass of molecules. In proteomics this can mean studying the mass of intact proteins, which can give you a clue as to their identity, and help you rapidly identify modifications. It can also mean busting the protein into many component fragments and measuring their mass, which can lead to protein identification via clever algorithms that compare measured fragment sizes to predicted ones using the genome databases.
One sign that this technology is about to become widely distributed is the appearance of relatively small softcover textbooks for beginners. These represent a reasonable first step towards initiation in this area, for those of us who left school a few years ago. There are two recent ones that I have read that I found to be particularly useful.

The first is Mass Spectrometry: A Foundation Course by Kevin Downard of Sydney, Australia.

This book covers many aspects of the field in under 200 pages, and has a handy guide to what sections are useful to individuals from different disciplines. It starts with history and concepts, and then devotes a significant amount of space to the instrumentation. This is very useful to anyone who has been to a massspectrometry meeting and trade show or even browsed the relevant companies websites. Dr. Downard covers the basics of how each variant works, and what it is best suited for, and includes discussion of single and tandem instruments. By the end you'll be able to raise your eyebrows appreciatively the next time a salesman fires an acronym and figure at you (or at least you'll know where to look it up once you have reached a safe distance). The second half of the book looks at specific applications for mass spectrometry, and here you can read selectively on what you are interested in doing. The sections on protein analysis were good primers. The book is quite mathematical throughout, and since I have no talent in this direction, the equations merely confirmed my deficiency in this area - to those of you who like it, it is there. Then at the end are a series of very useful appendices that show amino acid masses, masses of common protein modifications and websites for further reading or for protein identification, among other useful things. I recommend this book highly to anyone looking for a first port of call on the journey to mass spectrometry." [Oliver Bogler]

"From the reviews: "

"

Mass spectrometry today plays a vital role in a range of scientific disciplines including synthetic and physical organic chemistry, biological and medicinal chemistry and environmental and surface sciences.
In the past two decades, advances in instrument design and in computer control have brought the technique out of the basements of chemical laboratories and onto the bench of modern analytical laboratories. Advances in linking mass spectrometry to both gas and liquid chromatography have meantthat chromatographers have had to learn the extra dimensions of experiment that such multi-dimensional techniques can provide. Mass spectrometry is not now confined to research but is being increasingly used by environmental agencies, clinical chemistry laboratories and anywhere advanced analytical chemistry is required.

Few introductory texts have kept up with these advances, although there have been recent specialist texts on biotechnology and on LC/MS. Downard's book seeks to provide a basis for instruction of undergraduate and new postgraduate students. His philosophy has been to write introductory sections for all the basic aspects of mass spectrometry - his 'core' course - and to add sections for the major areas in which it is employed. These additional sections can be optionally added to the core course, as desired. Downard provides a menu suggesting how they can be put together. Each core section is well written and covers the basis of the science concerned very satisfactorily.

The sections that describe the different applications are necessarily condensed and the author tries to give extra reading with a good set of references.

Students who plan to use mass spectrometry in proteomic research will require much further assistance and the same goes for metabolomic/metabonomic studies and for users of quantitative analysis, but, for both, the core sections will be valuable." [Tony Mallet]

The first edition of this now classic work helped to establish mass spectrometry as the premier tool for drug metabolism studies. Completely rewritten from start to finish, Using Mass Spectrometry for Drug Metabolism Studies, Second Edition brings medicinal chemists and mass spectrometry professionals up to speed with the rapid advances in the field, the emergence of cutting-edge approaches, and ways to meet steadily increasing vendor demands. Written by international scientists who are experts in their respective disciplines, this state-of-the-art reference effectively encapsulates current mass spectrometry best practices. The stand-alone chapters cover various topics - from metabolite identification to fast chromatography with UPLC - and in a style that is understandable to experts and field newcomers alike. The second edition of this bestseller includes coverage of new instrumentation and software as well as a wealth of updated information on the latest findings surrounding biomarkers and metabolomics and new chapters on both UPLC and DESI/DART. With more than 180 illustrations and an eight-page color insert, this valuable reference explores multiple modern mass spectrometry techniques and strategies. It includes an excellent overview of the entire drug discovery process plus the latest developments on how mass spectrometry is used to support this endeavor.

Chemometrics in Analytical Spectroscopy provides students and practising analysts with a tutorial guide to the use and application of the more commonly encountered techniques used in processing and interpreting analytical spectroscopic data. In detail the book covers the basic elements of univariate and multivariate data analysis, the acquisition of digital data and signal enhancement by filtering and smoothing, feature selection and extraction, pattern recognition, exploratory data analysis by clustering, and common algorithms in use for multivariate calibration techniques. An appendix is included which serves as an introduction or refresher in matrix algebra. The extensive use of worked examples throughout gives Chemometrics in Analytical Spectroscopy special relevance in teaching and introducing chemometrics to undergraduates and post-graduates undertaking analytical science courses. It assumes only a very moderate level of mathematics, making the material far more accessible than other publications on chemometrics. The book is also ideal for analysts with little specialist background in statistics or mathematical methods, who wish to appreciate the wealth of material published in chemometrics.

This edited book, based on material presented at the EU Spec Training School on Multiple Scattering Codes and the following MSNano Conference, is divided into two distinct parts. The first part, subtitled "basic knowledge", provides the basics of the multiple scattering description in spectroscopies, enabling readers to understand the physics behind the various multiple scattering codes available for modelling spectroscopies. The second part, "extended knowledge", presents "state- of-the-art" short chapters on specific subjects associated with improving of the actual description of spectroscopies within the multiple scattering formalism, such as inelastic processes, or precise examples of modelling.

Theory and Ion Chemistry concentrates on the fundamental aspects of a set of 13 carefully chosen topics covering the whole field of mass spectrometry. It covers both primary (basic) considerations, as well as advanced topics, the former aimed at newcomers to the field, the latter at the experienced practitioner who may not necessarily be an expert in the particular area. Article references will cover three areas: 1) original or pioneering work in the area 2) seminal contributions to the area, including examples illustrating a given application and 3) useful review articles.
* This volume is the first in the multi-volume work, providing unparalleled and comprehensive coverage of the full range of topics and techniques
* Suitable for new graduate students who are interested but not yet versed in the subject of mass spectrometry
* Techniques, methods and applications of mass spectrometry are described in considerable detail; including limitations, current problems, and areas in which the method does not succeed well

This book reviews the most recent developments of fluorescent imaging techniques for medicinal chemistry research and biomedical applications, including cell imaging, in vitro diagnosis and in vivo imaging. Fluorescent imaging techniques play an important role in basic research, drug discovery and clinical translation. They have great impact to many fields including chemical biology, cell biology, medical imaging, cancer diagnosis and treatment, pharmaceutical science, among others, and they have facilitated our understanding of diseases and helped to develop many novel powerful tools for imaging and treatment of diseases. This book will appeal to scientists from numerous fields such as chemistry, pharmaceutical science, biology, materials science, and medicine, and it will serve as a very useful and handy resource for readers with different levels of scientific knowledge, ranging from entry level to professional level.