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 provides a snapshot of the current state-of-the-art of the understanding of the fundamentals of ICPMS, instrumental development, methods development, spectral interpretation and applications. It covers a diverse range of topics including: bioanalytical applications (immunoassay, state of phosphorylation, metallo-drugs); environmental applications (drinking water, groundwater, seawater, speciation); reaction cells and collision cells (theory and applications); archaeology; laser ablation; isotope ratio analysis; and the performance, characterization and applications of multicollector instruments. Written by international contributors who emphasize their current perceptions and understanding of the subject, Plasma Source Mass Spectrometry: Applications and Emerging Technologies offers a current perspective on elemental analysis by plasma source mass spectrometry that is not to be found elsewhere. Researchers and professionals in many areas will welcome this book, particularly those in the fields of bioanalytical, environmental and geological chemistry.

Glow discharge optical emission spectroscopy (GDOES) is an essential technique for the direct analysis of bulk solids, for elemental surface analysis and for the depth profiling of thin films and industrial coatings. The technique has shown rapid growth in numbers of instruments, in breadth of applications, in improved quantification in recent years and is now a recognised technique within the ISO, with two international standards. Glow Discharge Optical Emission Spectroscopy: A Practical Guide takes the reader on a journey through instrument operation, sample preparation, analysis, and reporting results. It follows two sets of samples through the whole process of analysis, brass samples for bulk analysis, and zinc-coated steel for depth profiling. Procedures are consistent with recent ISO standards and each step is loaded with hands-on tips and theoretical insight. The book also includes unique data tables on spectral interferences, molecular bands, self-absorption and relative sputtering rates. This book is designed for those using or managing GDOES instruments and for students interested in learning the technique from a hands-on perspective. It is also an invaluable aid to those considering the purchase of a GDOES instrument, or those using GDOES results, to understand in detail how the technique works and what is involved in maintaining the instrument and achieving high quality results.

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.

Many fundamental aspects of the methods used in mass spectrometry are presented here, with reference to recent developments. The principles and applications of electrospray, ion spray and MALDI ionization technique are included, together with optimised GC/MS interfacing systems and tools for quantitative analysis. There is also a comprehensive treatment of modern instrumentation for mass analysis and detection. The major part of the book deals with bioanalytical applications to peptides, proteins, oligonucleotides, polysaccharides, lipids and plant metabolites. Several contributions are devoted to the evaluation of adduct formation between DNA and carcinogens. Environmental applications are also included, with examples of some specific cases. Fundamentals and applications are treated with the same degree of depth, and the first two parts of the book therefore provide a basis for the understanding of the biomolecular-applications section. The book is intended for advanced graduate students of chemistry who have learned some basic mass spectrometry, and is also suitable for PhD students in chemistry, biology and medicine, as well as researchers in academic and industrial laboratories.

Synchrotron radiation is today extensively used for fundamental and applied research in many different fields of science. Its exceptional characteristics in terms of intensity, brilliance, spectral range, time structure and now also coherence pushed many experimental techniques to previously un-reachable limits, enabling the performance of experiments unbelievable only few years ago.

The book gives an up-to-date overview of synchrotron radiation research today with a view to the future, starting from its generation and sources, its interaction with matter, illustrating the main experimental technique employed and provides an overview of the main fields of research in which new and innovative results are obtained.

The book is addressed to PhD students and young researchers to provide both an introductory and a rather deep knowledge of the field. It will also be helpful to experienced researcher who want to approach the field in a professional way.

Annual Reports on NMR Spectroscopy, Volume 98, provides an in-depth accounting of progress in nuclear magnetic resonance (NMR) spectroscopy and its many applications. In recent years, no other technique has gained as much significance. It is also used in all branches of science in which precise structural determination is required, and in which the nature of interactions and reactions in solution is being studied. This book has established itself as a premier resource for both specialists and non-specialists who are looking to become familiar with new techniques and applications pertaining to NMR spectroscopy.

The main aim of this unique book is to introduce the student to spectroscopy in a clear manner which avoids, as far as possible, the mathematical aspects of the subject. It is thus intended for first or second year undergraduates, particularly those with minimal mathematics qualifications. After explaining the theory behind spectroscopy, the book then goes on to look at the different techniques, such as rotational, vibrational and electronic spectroscopy. It encompasses both high resolution (structural) and low resolution (analytical) spectroscopy, demonstrating their close interrelationship. The many worked problems make this book particularly appealing for independent study. Ideal for the needs of undergraduate chemistry students, Tutorial Chemistry Texts is a major new series consisting of short, single topic or modular texts concentrating on the fundamental areas of chemistry taught in undergraduate science courses. Each book provides a concise account of the basic principles underlying a given subject, embodying an independent-learning philosophy and including worked examples.

PMCommon methods of local magnetic imaging display either a high spatial resolution and relatively poor field sensitivity (MFM, Lorentz microscopy), or a relatively high field sensitivity but limited spatial resolution (scanning SQUID microscopy). Since the magnetic field of a nanoparticle or nanostructure decays rapidly with distance from the structure, the achievable spatial resolution is ultimately limited by the probe-sample separation. This thesis presents a novel method for fabricating the smallest superconducting quantum interference device (SQUID) that resides on the apex of a very sharp tip. The nanoSQUID-on-tip displays a characteristic size down to 100 nm and a field sensitivity of 10 -3 Gauss/Hz (1/2). A scanning SQUID microsope was constructed by gluing the nanoSQUID-on-tip?? to a quartz tuning-fork. This enabled the nanoSQUID to be scanned within nanometers of the sample surface, providing simultaneous images of sample topography and the magnetic field distribution. This microscope represents a significant improvement over the existing scanning SQUID techniques and is expected to be able to image the spin of a single electro

Discussing strategies to determine the structure and machanisms of numerous compound classics, this book covers new chemical and elctrophoretic techniques for rapid sample preconcentration and separation. It summarizes breakthroughs in the theory and instrumentation of electrospray mass spectrometry in pharmaceutical and biomedical applications, provides practical examples for the characterization of peptides, proteins, and glycoproteins, includes applications in proteomics, combinatorial chemistry, and drug characterization. Topics include chemical and electrophoretic techniques for rapid sample preconcentration and separation, screening processes for proteins from libraries of compounds, protein folding and dynamics, and more.

This reference/text presents a complete and thorough examination of the latest advances in the instrumentation, evaluation, and implementation of UV technology for reliable and efficient data acquisition and analysis-providing real-world applications in expanding fields such as chemical physics, plasma science, photolithography, laser spectroscopy, astronomy, and atmospheric science, and highlighting important UV and VUV laser light generation issues. Discusses the LIF technique for studying organic molecules at low vibrational temperatures Supplemented with more than 1000 contemporary references, Ultraviolet Spectroscopy and UV Lasers is a clear and authoritative reference for spectroscopists, optical physicists and engineers; photolithography specialists; analytical chemists; biochemists; atmospheric specialists; biophysicists; astronomers; laser and solid-state laser material specialists; and an excellent text for upper-level undergraduate and graduate students in these disciplines.

This book presents some of the latest developments in solid state NMR with potential applications in both material and biological science. The main emphasis is on a strong link between theory and experiment via numerical simulation of NMR spectra which play a pivotal role in the design and development of pulse schemes in solid state NMR. The papers focus on non-biological topics of solid state NMR spectroscopy making the book useful for scientists and advanced students in chemistry, physics, and material science striving for deeper understanding of this topic and its application potential. Two invited reviews focus on developments in solid state NMR of quadrupolar nuclei, which are of high interest in areas like materials science and heterogeneous catalysis.

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.

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.

Dealing with the principles of calibration—both the theoretical and mathematical constructs which relate features of calibration equations to the physical phenomena that affect instruments and samples used on generating information. Among derivations in leading spectroscopic and statistical literature, numerous necessary mathematical derivations have been specifically designed for this book. Covers the practical aspects of generating a calibration equation including how to recognize and deal with various types of problems affecting calibration dataset, relating theoretical ideas, and their affect on data and how to deal with unusual situations.

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.

The understanding of the principles of ICP-MS and its application as an analytical technique is continually evolving and this book provides a unique snapshot of the current state-of-the-art. Plasma Source Mass Spectrometry: The New Millennium covers a diverse range of topics including the fate of the sample as it passes through the sample introduction system, chemical resolution using reaction and collision cells, various methods of mass analysis, approaches to account for spectral interferences, hyphenation methods to enable speciation, and the results of analyses ranging from natural waters and archaeological isotope ratios to organometallic speciation in biological materials. Describing explicitly the analytical methods that deal with current analytical challenges, and offering a current perspective on elemental analysis by plasma source mass spectrometry that is not to be found elsewhere, this book will be welcomed by both academics and industrialists as containing the most up-to-date information available on this burgeoning topic.

This volume details the principles and instrumentation of gas chromatography-mass spectrometry (CG-MS), and outlines industrial, environmental, pharmaceutical, clinical, toxicological, forensic and food-related applications, revealing findings from the laboratories of 40 contributing scientists around the world using GC-MS in practice. It describes upstream and downstream applications of GC-MS in the petroleum industry and identifies chlorinated compounds in the environment with quadrupole ion-trap technology and high-resolution sector instruments.

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.

Introducing the principles, practice and applications of mass spectrometric techniques in the study of natural substances in foods, this book conveys the depth and breadth of modern mass spectrometry in relation to food analysis. It covers traditional techniques such as electron and chemical ionisation and newer soft ionisation techniques such as matrix-assisted laser desorption ionisation and electrospray. All of these techniques are especially relevant in food quality and safety studies and in biopolymer analysis. The ability to analyse biopolymers by mass spectrometry is having a major impact on the study of food structure components, food proteins, food pathogens and food components produced from genetically modified organisms. The principles and practice of mass spectrometry are covered in the early chapters and are followed by applications in flavour analysis and the determination of non-nutrient, biologically-active, natural substances in foods. The analysis and metabolic studies of amino acids, peptides, proteins, lipids, sugars, carbohydrates and vitamins is also discussed, with separate chapters on mineral and micronutrient metabolism and techniques of pyrolysis mass spectrometry. Mass Spectrometry of Natural Substances in Food will be a valuable resource for food scientists, food analysts and others working in food research, nutrition and safety.

Spectroscopic data undoubtedly provides a great deal of useful information about organic molecules. Competently deriving structural information from such data therefore, is a requisite skill for many undergraduates studying chemistry. Interpreting Organic Spectra covers the basic principles of spectroscopy in as non-mathematical a way as possible. It assumes no previous knowledge of spectroscopy and avoids excessive theory, approaching the topic as an exercise in pattern recognition. Hence the main focus of the book is in the provision of a variety of spectra for the student to interpret. Students are able to pace their progress by gaining confidence on the simpler spectra, and applying techniques learned to tackle more complex examples. As an introduction to the subject, it is ideal for A-level students as well as chemistry undergraduates and will prove to be a very useful reference tool for teachers and lecturers.

Since the completion of the first edition of this book, major developments have occurred in the pharmaceutical industry that have shaped the field of near-infrared (NIR) spectroscopy. A new initiative from the U.S. Food and Drug Administration (FDA) to modernize regulations of pharmaceutical manufacturing and drug quality has helped position NIR spectroscopy as an effective tool for pharmaceutical testing. Pharmaceutical and Medical Applications of Near-Infrared Spectroscopy: Second Edition reflects these developments and brings readers an up-to-date summary of how this technique is being applied to pharmaceutical manufacturing. Topics include: The origins and principles of NIR spectroscopy, including early instrumentation, spectroscopic theory, and light-particle interaction The physics of each instrument type, the strengths and weaknesses of each, and the manufacturers that produce them The possible advantages of using NIR methods for monitoring or controlling blending, as well as practical concerns for mixing processes NIR spectroscopy as applied to traditional granulation, drug layering, and film coating of beads or granules Pharmaceutical assays, including qualitative analysis, quantitative analysis, determination of actives in tablets and capsules, and considerations for intact dosage form analysis Steps involved in the validation and acceptance of an NIR spectroscopy method, including quality assurance, qualification and verification of instruments, and the International Conference on Harmonization (ICH) guidelines Medical applications, including those related to blood glucose measurements, tissue and major organ analysis, fetal analysis, and cancer research Providing comprehensive coverage of NIR spectroscopy, from theory, mathematics, application, and mechanics of NIR analysis, the book supplies ample references to facilitate further rese

This practical guide to the trace analysis of metals and alloys details minor, trace, and ultratrace methods; addresses the essential stages that precede measurement; and highlights the measurement systems most likely to be used by the pragmatic analyst. Features key material on inclusion and phase isolation, never-before published in any English-language reference Designed to provide useful maps and signposts for metals analysts who must verify that stringent trace level compositional specifications have been met, Trace Elemental Analysis of Metals examines sampling, contamination control, isolation, and preconcentration covers molecular absorption, atomic absorption, atomic emission, mass spectrometry, and other measurement systems discusses the critical importance of inclusions and phases in obtaining accurate trace determinations explores quality issues surrounding method validation, analytical control verification, and reference material needs defines a style for treating results slightly above the noise limit of the instrumentation provides painstakingly referenced, step-by-step instructions for specific alloy systems and methodologies supplies a concise overview of the chemical and instrumental techniques widely available in industrial laboratories includes an easy-to-use glossary defining terms, specialized usage, and jargon related to trace work in metals and alloys reviews the conventions of reporting at, and near, the detection and quantification limits of a procedure and more Offering direction to analysts seeking consistent data while working within the limits of available technology, Trace Elemental Analysis of Metals is a valuable guide suited to analytical, inorganic, and materials chemists; spectroscopists; environmental scientists; and upper-level undergraduate and graduate students in these disciplines.

This author's second volume introduces basic principles of interpreting infrared spectral data, teaching its readers to make sense of the data coming from an infrared spectrometer. Contents include spectra and diagnostic bands for the more common functional groups as well as chapters on polyester spectra and interpretation aids.
Discussions include:
o science of infrared interpretation
o light and molecular vibrations
o how and why molecules absorb infrared radiation
o peak heights, intensities, and widths
o hydrocarbons, carbonyl groups, and molecules with C-N bonds
o polymers and inorganic molecules
o the use of atlases, library searching, spectral subtraction, and the Internet in augmenting interpretation
Each chapter presents an introduction to the nomenclature and structure of a specific functional group and proceeds with the important diagnostic bands for each group.
Infrared Spectral Interpretation serves both novices and experienced practitioners in this field.