The isolation and structural characterization of substances present at very low concentrations, as is necessary to satisfy regulatory requirements for pharmaceutical drug degradants and impurities, can present scientific challenges. The coupling of HPLC with NMR spectroscopy has been at the forefront of cutting-edge technologies to address these issues. LC-NMR: Expanding the Limits of Structure Elucidation presents a comprehensive overview of key concepts in HPLC and NMR that are required to achieve definitive structure elucidation with very low levels of analytes. Because skill sets from both of these highly established disciplines are involved in LC-NMR, the author provides introductory background to facilitate readers' proficiency in both areas, including an entire chapter on NMR theory. The much-anticipated second edition provides guidance in setting up LC-NMR systems, discussion of LC methods that are compatible with NMR, and an update on recent hardware and software advances for system performance, such as improvements in magnet design, probe technology, and solvent suppression techniques that enable unprecedented mass sensitivity in NMR. This edition features methods to quantify concentration and assess purity of isolated metabolites on the micro scale and incorporates computational approaches to accelerate the structure elucidation process. The author also includes implementation and application of qNMR and automated and practical use of computational chemistry combined with QM and DFT to predict highly accurate NMR chemical shifts. The text focuses on current developments in chromatographic-NMR integration, with particular emphasis on utility in the pharmaceutical industry. Applications include trace analysis, analysis of mixtures, and structural characterization of degradation products, impurities, metabolites, peptides, and more. The text discusses novel uses and emerging technologies that challenge detection limits as well future directions for this important technique. This book is a practical primary resource for NMR structure determination-including theory and application-that guides the reader through the steps required for isolation and NMR structure elucidation on the micro scale.

The book is a technical guide for chemists and spectroscopists, and presents a concise description of magnetic circular dichroism (MCD) spectroscopy and how it has advanced the interpretation of molecular electronic spectra.* Provides a practical guide to utilizing MCD spectroscopy for chemists starting in the field* Written by an expert with over twenty years of experience in the field* Helps the reader to visualize the optical spectroscopic effects presented by MCD measurements* Includes practical considerations for experimental MCD measurements based on the author's experience* Written as a general discussion of the subject matter, with illustrative examples provided and discussed in the case studies to show the breadth of application of MCD measurements.

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 work provides an introduction to those needing to use infrared spectroscopy for the first time, explaining the fundamental aspects of this technique, how to obtain a spectrum and how to analyse infrared data covering a wide range of applications. It includes instrumental and sampling techniques; covers biological and industrial applications; and, includes suitable questions and problems in each chapter to assist in the analysis and interpretation of representative infrared spectra. It is part of the "ANTS (Analytical Techniques in the Sciences) Series".

The book provides an up-to-date account of inductively coupled plasmas and their use in atomic emission spectroscopy and mass spectrometry. Specific applications of the use of these techniques are highlighted including applications in environmental, food and industrial analysis. It is written in a distance learning / open learning style; suitable for self study applications. It contains contain self-assessment and discussion questions, worked examples and case studies that allow the reader to test their understanding of the presented material.

With usage of mass spectrometry continually expanding, an increasing number of scientists, technicians, students, and physicians are coming into contact with this valuable technique. Mass spectrometry has many uses, both qualitative and quantitative, from analyzing simple gases to environmental contaminants, pharmaceuticals, and complex biopolymers. The extraordinary versatility can make mass spectrometers daunting to novices. Consequently, new users would benefit greatly from an understanding of the basic concepts as well as the processes that occur in these instruments. Mass Spectrometry for the Novice provides exactly that, with detailed, straightforward descriptions and clear illustrations of principles of operations and techniques. The book begins with an overview that includes essential definitions and then provides information on the components of and the strategies used in the most common instruments. The authors discuss the methodologies available, classes of compounds analyzed, and the types of data that can be generated. A group of representative applications from published articles is summarized, demonstrating the diversity of mass spectrometry. The authors also condense the essentials of the topic into one invaluable chapter that provides a set of concise take-home messages on all aspects of mass spectrometry. The final section provides a collection of resources including books, reviews, and useful websites. Using simple language, new color figures, clever cartoons, and assuming no prior knowledge, this book provides a readily understandable entree to mass spectrometry. Downloadable resources with selected figures and cartoons is included.

The chemical composition of any planetary atmosphere is of fundamental importance in determining its photochemistry and dynamics in addition to its thermal balance, climate, origin and evolution. Divided into two parts, this book begins with a set of introductory chapters, starting with a concise review of the Solar System and fundamental atmospheric physics. Chapters then describe the basic principles and methods of spectroscopy, the main tool for studying the chemical composition of planetary atmospheres, and of photochemical modeling and its use in the theoretical interpretation of observational data on chemical composition. The second part of the book provides a detailed review of the carbon dioxide atmospheres and ionospheres of Mars and Venus, and the nitrogen-methane atmospheres of Titan, Triton and Pluto. Written by an expert author, this comprehensive text will make a valuable reference for graduate students, researchers and professional scientists specializing in planetary atmospheres.

Infrared Vibration—Rotation Spectroscopy: From Free Radicals to the Infrared Sky contains new experimental and theoretical methods on the high resolution infrared spectroscopy of small molecules. The book is divided into three parts. Features covered in the first part include:

• Calculations of the vibration-rotation energy levels of rigid and non-rigid molecules
• Calculations of the intensities of vibration-rotation transitions
• Introduction to linear and non-linear molecular spectroscopy
• Use of interferemetric and laser spectrometers for measuring infrared spectra.

The second part presents a detailed treatment of the analysis of the high resolution vibration—rotation spectra of linear, quasilinear, symmetric rotor and asymmetric rotor molecules. The following topics of current interest are examined in depth in the final part of the book:

• Electric and magnetic resonance spectroscopy
• Spectroscopy of transient species, free radicals and ions, and Van der Waals clusters
• Atmospheric and astrophysical spectroscopy, including the spectroscopy of the atmosphere of the Earth and nearby planets, cool stars and molecules in the interstellar medium

This comprehensive book is an ideal reference book for researchers in the field of spectroscopy and physical chemistry, and of atmospheric science and infrared astronomy. It is also recommended as a text book for graduate students in molecular spectroscopy.

This revision of Dr. Branwell's highly popular text retains the features which have made it so attractive to students and lecturers over the years. It remains an elementary and non-mathematical introduction to molecular spectroscopy that emphasizes the overall unity of the subject and offers a pictorial perception rather than a mathematical description of the principles of spectroscopy.

Annual Reports on NMR Spectroscopy, Volume 94, provides a thorough accounting of progress in nuclear magnetic resonance (NMR) spectroscopy and its applications 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. Updates in this new release include sections on 31PNMR Studies of Lateral Diffusion, Progress in the Accurate Determination of 1H-1H Distances by NMR Procedures, Recent Solid State NMR Studies of Hydrated Lipid Membranes, and Recent Advances in 17O NMR Studies. This book has established itself as a premier means for both specialists and non-specialists who are looking to become familiar with new techniques and applications pertaining to NMR spectroscopy.

Modern mass spectrometry -- the instrumentation and applications in diverse fields

Mass spectrometry has played a pivotal role in a variety of scientific disciplines. Today it is an integral part of proteomics and drug discovery process. Fundamentals of Contemporary Mass Spectrometry gives readers a concise and authoritative overview of modern mass spectrometry instrumentation, techniques, and applications, including the latest developments. After an introduction to the history of mass spectrometry and the basic underlying concepts, it covers:

Instrumentation, including modes of ionization, condensed phase ionization techniques, mass analysis and ion detection, tandem mass spectrometry, and hyphenated separation techniques

Organic and inorganic mass spectrometry

Biological mass spectrometry, including the analysis of proteins and peptides, oligosaccharides, lipids, oligonucleotides, and other biological materials

Applications to quantitative analysis

Based on proven teaching principles, each chapter is complete with a concise overview, highlighted key points, practice exercises, and references to additional resources. Hints and solutions to the exercises are provided in an appendix. To facilitate learning and improve problem-solving skills, several worked-out examples are included.

This is a great textbook for graduate students in chemistry, and a robust, practical resource for researchers and scientists, professors, laboratory managers, technicians, and others. It gives scientists in diverse disciplines a practical foundation in modern mass spectrometry.

This book is written for chemists, chemical engineers and chemical technologists who are not expert users of Raman spectroscopy technology. The background to the technique is covered along with its analytical applications. A brief introduction to Raman spectroscopy and instrumentation in general is included, along with detailed explanations of the advantages of Raman over other techniques. Emphasis is placed on the way it has been used to solve a range of analytical problems in the chemical and allied industries.

Biological Applications of Infrared Spectroscopy Infrared spectroscopy (IR) is a well established analytical technique for the identification of organic molecules. However, it is now being used more and more by biologists and biochemists in the analysis of complex biological molecules, such as proteins, lipids and nucleic acids. In this first dedicated volume, which is aimed at the beginner user level, the theory of IR is described and is then related to various biological systems. Chapters on instrumentation, sample preparation and the interpretation of spectra give the reader practical help in using the technique. A comprehensive applications chapter illustrates the diversity and power of this technique in real systems. Analytical Chemistry by Open Learning This series provides a uniquely comprehensive and integrated coverage of analytical chemistry, covering basic concepts, classical methods, instrumental techniques and applications. The learning objectives of each text are clearly identified and the student’s understanding of the material is constantly challenged by self-assessment questions with reinforcing or remedial responses. The overall objective of Analytical Chemistry by Open Learning is to enable the student to select and apply appropriate methods and techniques to solve analytical problems, and to interpret the results obtained.

Frontiers and Advances in Molecular Spectroscopy once again brings together the most eminent scientists from around the world to describe their work at the cutting-edge of molecular spectroscopy. Much of what we know about atoms, molecules and the nature of matter has been obtained using spectroscopy over the last one hundred years or so. Going far beyond the topics discussed in Jaan Laane's earlier book on the subject, these chapters describe new methodologies and applications, instrumental developments and theory, which are taking spectroscopy into still new frontiers. The robust range of topics once again demonstrates the wide utility of spectroscopic techniques. New topics include ultrafast spectroscopy of the transition state, SERS/far-uv spectroscopy, femtosecond coherent anti-Stokes Raman spectroscopy, high-resolution laser induced fluorescence spectroscopy, Raman spectroscopy and biosensors, vibrational optical activity, ultrafast two-dimensional spectroscopy, biology with x-ray lasers, isomerization dynamics and hydrogen bonding, single molecule imaging, spectra of intermediates, matrix isolation spectroscopy and more.

Including contributions from instrument manufacturers! Geological aging, chemical reaction mechanism studies, determination of atomic weights and investigation of metabolic pathways—these are all examples of the truly diverse nature of isotope ratio mass spectrometry (IRMS). With applications in fields as far apart as analytical chemistry and astronomy, geochemistry and biomedical science, it is little wonder that this technique is becoming increasingly popular. In Modern Isotope Ratio Mass Spectrometry,the first comprehensive book written on the subject for twenty-five years, examples from all these areas, and many more,are given. All modern developments in this fascinating field are discussed with special attention paid to technical details and instrumentation.
Features of the book include:

• comprehensive element-by-element review including 94 elements
• applications chapter which stresses multi-disciplinary nature of subject
• instrumentation chapter with contributions from three leading industrialists on state-of-the-art instrumentation

The most comprehensive resource available on the many applications of portable spectrometers, including material not found in any other published work Portable Spectroscopy and Spectrometry: Volume Two is an authoritative and up-to-date compendium of the diverse applications for portable spectrometers across numerous disciplines. Whereas Volume One focuses on the specific technologies of the portable spectrometers themselves, Volume Two explores the use of portable instruments in wide range of fields, including pharmaceutical development, clinical research, food analysis, forensic science, geology, astrobiology, cultural heritage and archaeology. Volume Two features contributions by a multidisciplinary team of experts with hands-on experience using portable instruments in their respective areas of expertise. Organized both by instrumentation type and by scientific or technical discipline, 21 detailed chapters cover various applications of portable ion mobility spectrometry (IMS), infrared and near-infrared (NIR) spectroscopy, Raman and x-ray fluorescence (XRF) spectroscopy, smartphone spectroscopy, and many others. Filling a significant gap in literature on the subject, the second volume of Portable Spectroscopy and Spectrometry Features a significant amount of content published for the first time, or not available in existing literature Brings together work by authors with assorted backgrounds and fields of study Discusses the central role of applications in portable instrument development Covers the algorithms, calibrations, and libraries that are of critical importance to successful applications of portable instruments Includes chapters on portable spectroscopy applications in areas such as the military, agriculture and feed, hazardous materials (HazMat), art conservation, and environmental science Portable Spectroscopy and Spectrometry: Volume Two is an indispensable resource for developers of portable instruments in universities, research institutes, instrument companies, civilian and government purchasers, trainers, operators of portable instruments, and educators and students in portable spectroscopy courses.

Lasers in Analytical Atomic Spectroscopy Edited by Joseph Sneddon • Terry L. Thiem • Yong-Ill Lee This book focuses primarily on the use of lasers in analytical atomic spectroscopy with optical detection, and also includes a chapter describing the use of lasers in inductively coupled plasma—mass spectroscopy (ICP—MS). The book begins with a brief introduction to atomic spectroscopy and lasers, providing the reader with basic theory and information on instrumentation in conventional atomic spectroscopy. Next, the properties, types, and principles of lasers are discussed using a non-mathematical approach. The main section of the book provides detailed descriptions of the four major areas of laser application in analytical atomic spectroscopy, each discussed by an expert in the field: laser excited atomic fluorescence spectrometry (LEAFS); laser ablation for sample introduction, particularly in inductively coupled plasma—atomic emission spectrometry (ICP—AES) and ICP—MS; laser induced breakdown (emission) spectrometry (LIBS); and laser-enhanced ionization (LEI) spectrometry. Lasers in Analytical Atomic Spectroscopy will be of interest to spectroscopists, analytical chemists, and graduate students in these areas. Also available from VCH Applied Laser Spectroscopy Techniques, Instrumentation, and Applications D.L. Andrews, ed. Hardcover. ISBN 1-56081-023-8 Inductively Coupled Plasmas in Analytical Atomic Spectroscopy Second, Revised and Enlarged Edition A. Montaser and D.W. Golightly, eds. Hardcover. ISBN 1-56081-514-0 Atomic Absorption Spectrometry Second, Completely Revised Edition B. Welz Hardcover. ISBN 3-527-26193-1

UV-Visible Spectrophotometry of Water and Wastewater, Second Edition, represents an update to the first book dedicated to the use of UV spectrophotometry for water and wastewater quality monitoring. Using practical examples, the book illustrates how this technique can be a source of new methods of characterization and measurement. Easy and fast to run, this simple and robust analytical technique must be considered as one of the best ways to obtain a quantitative estimation of specific or aggregate parameters (e.g., Nitrate, TOC) and simultaneously qualitative information on the global composition of water and its variation. This second edition presents the current methods and applications for water quality monitoring based on UV spectra, including the most recent works and developments. After the introduction of the basics for UV spectrophotometry understanding, the applications of UV measurement are presented, both from the family of chemicals and water quality parameters and from the type of water. Writing from years of experience in the development and applications of UV systems and from scientific and technical works, the authors provide several useful examples showing the great interest of UV spectrophotometry for water quality monitoring. At the end of the book, the UV spectra library of the first edition is updated with dozens of new chemicals of interest.

Raman spectroscopy is now well established as one of the most versatile techniques for the chemical analysis of molecular species. Major advances have been made in a number of areas in the field in recent years which enable the researcher and practising analytical scientist to solve the complex chemical problems of today. The ten chapters in Modern Techniques in Raman Spectroscopy cover some of the most exciting fields of research in modern Raman techniques, and illustrate the power of modern Raman spectroscopy for molecular analysis in both theoretical and practical problems. The volume opens with chapters on signal expressions and instrumentation in Raman spectroscopy, and then goes on to discuss in detail Fourier and Hadamard Transform Raman spectroscopies, micro-Raman spectroscopy, surface-enhanced Raman spectroscopy, Raman optical activity, coherent and time-resolved techniques and the use of optical fibres in Raman spectroscopy. The chapters are written by leading researchers from a broad range of disciplines. Throughout, applications of the various techniques are discussed. Modern Techniques in Raman Spectroscopy will be of great interest to all those involved in molecular spectroscopy, in both industry and academia. The inclusion of a wide range of modern techniques in a single volume will make this a particularly valuable work to researchers across the whole field of Raman spectroscopy.

The nuclear shell model has had much success when describing nuclear structure. It is able to describe the single-particle states of nuclei, and gives understanding as to how nuclear structure evolves as the number of nucleons changes in a nucleus. This led to the discovery of the so-called magic numbers, which designate particularly stable configurations of protons and neutrons in nuclei. With the advent of radioactive ion beams, it has become possible to probe exotic nuclei to test current theories of nuclear structure. These investigations have led to the discovery of exotic nuclear phenomena, with structures different to those found in stable nuclei. One of these is the N=20 island of inversion, where configurations that appear in stable nuclei become less bound than more exotic particle-hole configurations across a shell gap. Another is the weakening of the magic N=20 shell gap to N=16 as the number of protons is reduced in this isotonic chain. Of particular interest are the magnesium isotopes, which exhibit a swift transition into the island of inversion with 29Mg lying outside and 31Mg lying inside. In addition, 29Mg lies one neutron outside N=16, so is also able to give insight on the weakening of the N=16 shell gap. Mapping this region of the chart of nuclides helps in the understanding of the evolution of this nuclear structure. A useful probe for this task is single-particle transfer reactions. However, these reactions have been hindered by low yields from radioactive ion beams, as well as suffering from kinematic effects that obscure the states that need to be observed. The ISOLDE Solenoidal Spectrometer (ISS), that measures these transfer reactions in a solenoidal magnetic field, was designed to counteract these effects. With the high-yield radioactive ion beams at ISOLDE, CERN, these transfer reactions became viable. Therefore, the nuclear structure of 29Mg was probed using the d(28Mg,p) reaction using this device. This work marks the first measurement using the ISOLDE Solenoidal spectrometer and the first time that a solenoidal spectrometer has been used at an ISOL radioactive beam facility. The measurements highlight the interplay of nucleon-nucleon interactions and the geometry of the nuclear potential in driving observed trends in single-particle structure, in particular the changes in closed shells towards doubly magic 24O

Correlative Light and Electron Microscopy III, Volume 140, a new volume in the Methods in Cell Biology series, continues the legacy of this premier serial with quality chapters authored by leaders in the field. Topics discussed in this new release include Millisecond time-resolved CLEM, Super resolution LM und SEM of high-pressure frozen C. elegans, Preservation fluorescence, super res CLEM, APEX in Tissue, Corrsight mit IBIDI flowthrough chamber, Correlative Light Atomic Force Electronic Microscopy (CLAFEM), Atmospheric EM CLEM, and High-precision correlation, amongst other topics. Chapters in this ongoing series deal with different approaches for analyzing the same specimen using more than one imaging technique. The strengths and application area of each is presented, with this volume exploring the aspects of sample preparation of diverse biological systems for different CLEM approaches.

The accurate interpretation of infrared spectra of organic structures is an extremely important tool for the analytical chemist. Using up-to-date source material, this volume presents a compilation of the infrared absorption regions of ninety of the most important organic molecular fragments. This highly practical guide introduces the reader to a straightforward technique for determining all the fundamental vibrations of a molecular fragment. The set of normal vibrations and the infrared absorption regions of ninety molecular fragments are then discussed and tabulated. The discussion of each fragment is accompanied by a large number of references. A Guide to the Complete Interpretation of Infrared Spectra of Organic Structures offers the analytical chemist the possibility of a more profound interpretation of infrared spectra. In addition, it assumes only a basic knowledge of infrared spectra, and so will prove very useful for non-specialists who use infrared spectroscopy in analysis.

Keeping mathematics to a minimum, this book introduces nuclear properties, nuclear screening, chemical shift, spin-spin coupling, and relaxation. It is one of the few books that provides the student with the physical background to NMR spectroscopy from the point of view of the whole of the periodic table rather than concentrating on the narrow applications of 1H and 13C NMR spectroscopy. Aids to structure determination, such as decoupling, the nuclear Overhauser effect, INEPT, DEPT, and special editing, and two dimensional NMR spectroscopy are discussed in detail with examples, including the complete assignment of the 1H and 13C NMR spectra of D-amygdain. The authors examine the requirements of a modern spectrometer and the effects of pulses and discuss the effects of dynamic processes as a function of temperature or pressure on NMR spectra. The book concludes with chapters on some of the applications of NMR spectroscopy to medical and non-medical imaging techniques and solid state chemistry of both I = F1/2 and I > F1/2 nuclei. Examples and problems, mainly from the recent inorganic/organometallic chemistry literature support the text throughout. Brief answers to all the problems are provided in the text with full answers at the end of the book.

Packed with reviews plus new results from the author's laboratories, the first-of-its-kind work offers a timely and authoritative treatise on the use of mass spectral techniques in organic stereochemistry.
Featuring 22 chapters contributed by eminent and active researchers in the field, this unique sourcebook offers comparative information on the use of a variety of mass-spectral techniques to characterize stereoisomers and conformers of both large and small biologically important organic molecules. It also discusses techniques for studying gas-phase conformational equilibria in conformationally mobil systems.
Applications of Mass Spectrometry to Organic Stereochemistry will dramatically aid the lab applications of organic, biological, pharmaceutical, and analytical chemists in university and industrial laboratories.

This third edition of the Encyclopedia of Spectroscopy and Spectrometry, Three Volume Set provides authoritative and comprehensive coverage of all aspects of spectroscopy and closely related subjects that use the same fundamental principles, including mass spectrometry, imaging techniques and applications. It includes the history, theoretical background, details of instrumentation and technology, and current applications of the key areas of spectroscopy. The new edition will include over 80 new articles across the field. These will complement those from the previous edition, which have been brought up-to-date to reflect the latest trends in the field. Coverage in the third edition includes: Atomic spectroscopy Electronic spectroscopy Fundamentals in spectroscopy High-Energy spectroscopy Magnetic resonance Mass spectrometry Spatially-resolved spectroscopic analysis Vibrational, rotational and Raman spectroscopies The new edition is aimed at professional scientists seeking to familiarize themselves with particular topics quickly and easily. This major reference work continues to be clear and accessible and focus on the fundamental principles, techniques and applications of spectroscopy and spectrometry.