This unified treatment introduces upper-level undergraduates and graduate students to the concepts and the methods of modern molecular spectroscopy and their applications to quantum electronics, lasers, and related optical phenomena. Starting with a review of quantum mechanical background, it examines atomic spectra and diatomic molecules, group theory, and more. 1985 edition.

This book contains examples written by internationally recognized experts applying proteomics and analysis applications of mass spectrometry in their everyday research. They dedicate this book to a broad audience of all scientists to encourage them to use the omics approach to investigate biological processes.The first chapter is a short introduction to the basics of analytical chemistry. The following chapters describe high-throughput proteomic studies and how they are applied in various areas of biological and biomedical sciences, providing valuable insights into how biological systems work at the molecular level.

The success of NMR and its constant redevelopment mean that the literature is vast and wide-ranging. This volume contains chapters which distil the key recent literature in different areas, covering the spectrum of NMR theory and practice, including theory and computation of nuclear shielding, theoretical and practical aspects of indirect spin-spin couplings and nuclear spin relaxation. With applications across chemistry, physics and medicine, nuclear magnetic resonance is a proven, uniquely versatile and powerful spectroscopic technique, and other chapters on NMR in soft matter, NMR of proteins and nucleic acids and NMR in living systems provide accounts of its versatility.

All the reports in this volume are invaluable both for new researchers wishing to engage with literature for the first time, and for seasoned practitioners, particularly service managers, needing to keep in touch with the ever-expanding ways in which NMR is used.

The derivation of structural information from spectroscopic data is now an integral part of organic chemistry courses at all Universities. A critical part of any such course is a suitable set of problems to develop the students' understanding of how organic structures are determined from spectra. The book builds on the very successful teaching philosophy of learning by hands-on problem solving; carefully graded examples build confidence and develop and consolidate a student's understanding of organic spectroscopy.

Organic Structures from Spectra, 6th Edition is a carefully chosen set of about 250 structural problems employing the major modern spectroscopic techniques, including Mass Spectrometry, 1D and 2D ¹³C and ¹H NMR Spectroscopy and Infrared Spectroscopy. There are 25 problems specifically dealing with the interpretation of spin-spin coupling in proton NMR spectra and 10 problems based on the quantitative analysis of mixtures using proton and carbon NMR spectroscopy. The accompanying text is descriptive and only explains the underlying theory at a level that is sufficient to tackle the problems. The text includes condensed tables of characteristic spectral properties covering the frequently encountered functional groups.

The examples themselves have been selected to include all important structural features and to emphasise connectivity arguments and stereochemistry. Many of the compounds were synthesised specifically for this book. In this collection, there are many additional easy problems designed to build confidence and to demonstrate basic principles.

The Sixth Edition of this popular textbook:

• now incorporates many new problems using 2D NMR spectra (C-H Correlation spectroscopy, HMBC, COSY, NOESY and TOCSY);
• has been expanded and updated to reflect the new developments in NMR spectroscopy;
• has an additional 40 carefully selected basic problems;
• provides a set of problems dealing specifically with the quantitative analysis of mixtures using NMR spectroscopy;
• features proton NMR spectra obtained at 200, 400 and 600 MHz and ¹³C NMR spectra including routine 2D C-H correlation, HMBC spectra and DEPT spectra;
• contains a selection of problems in the style of the experimental section of a research paper;
• includes examples of fully worked solutions in the appendix;
• has a complete set of solutions available to instructors and teachers from the authors.

Organic Structures from Spectra, Sixth Edition will prove invaluable for students of Chemistry, Pharmacy and Biochemistry taking a first course in Organic Chemistry.

New Edition: Astronomical Spectroscopy (3rd Edition)Nearly all information about the Universe comes from the study of light as it reaches us. However, understanding the information contained in this light requires both telescopes capable of resolving it into its component colours and a detailed knowledge of the quantum mechanical behaviour of atoms and molecules. This book, which is based on a third-year undergraduate course taught by the author at University College London, presents the basic atomic and molecular physics necessary to understand and interpret astronomical spectra. It explains how and what kind of information can be extracted from these spectra. Contemporary astronomical spectra are used extensively to study the underlying atomic physics and illustrate the results.

The power of nuclear magnetic resonance, NMR, for characterizing molecules dissolved in solution is widely acknowledged and NMR forms an essential component of undergraduate chemistry degrees. However, the application of NMR to the solid state is much less well appreciated. This text sets out the fundamental principles of solid-state NMR, explaining how NMR in solids differs from that in solution, showing how the various interactions of NMR can be manipulated to yield high-resolution spectra and to give information on local structure and dynamics in solids. This book aims to take some of the mystique out of solid-state NMR by providing a comprehensible discussion of the methodology, including the basic concepts and a practical guide to implementation of the experiments. A basic knowledge of solution-state NMR is assumed and is only briefly covered. The text is intended for those in academia and industry expecting to use solid-state NMR in their research and looking for an accessible introduction to the field. It will also be valuable for non-experts interested in learning how NMR can be usefully applied to solid systems. Detailed mathematical treatments are delayed to a chapter at the mid-point of the text and can be skipped. Introductions to experiments and numerical simulations are provided to help link NMR results to experimental practice. The different aspects of solid-state NMR, from basic pulse-and-acquire experiments to sophisticated techniques for the measurement of anisotropy information are presented. Examples illustrate the wide variety of applications of the technique and its complementarity to other solid-state characterization techniques such as X-ray diffraction. Various aspects of NMR crystallography are covered as are topics of motion in solids.

Gain an understanding of the latest advances in spectroscopy with INTRODUCTION TO SPECTROSCOPY.This proven book provides a systematic introduction to spectra and basic theoretical concepts in spectroscopic methods and includes up-to-date spectra; a modern presentation of one-dimensional nuclear magnetic resonance (NMR) spectroscopy; an introduction to biological molecules in mass spectrometry; and coverage of modern techniques alongside DEPT, COSY, and HECTOR.

A comprehensive guide to cutting-edge tools in ADME research

The last decade has seen tremendous progress in the development of analytical techniques such as mass spectrometry and molecular biology tools, resulting in important advances in drug discovery, particularly in the area of absorption, distribution, metabolism, and excretion (ADME).

ADME-Enabling Technologies in Drug Design and Development focuses on the current state of the art in the field, presenting a comprehensive review of the latest tools for generating ADME data in drug discovery. It examines the broadest possible range of available technologies, giving readers the information they need to choose the right tool for a given application, a key requisite for obtaining favorable results in a timely fashion for regulatory filings. With over thirty contributed chapters by an international team of experts, the book provides:

• A thorough examination of current tools, covering both electronic/mechanical technologies and biologically based ones

• Coverage of applications for each technology, including key parameters, optimal conditions for intended results, protocols, and case studies

• Detailed discussion of emerging tools and techniques, from stem cells and genetically modified animal models to imaging technologies

• Numerous figures and diagrams throughout the text

Scientists and researchers in drug metabolism, pharmacology, medicinal chemistry, pharmaceutics, toxicology, and bioanalytical science will find ADME-Enabling Technologies in Drug Design and Development an invaluable guide to the entire drug development process, from discovery to regulatory issues.

Nuclear Magnetic Resonance (NMR) spectroscopy is a powerful and theoretically complex analytical tool. Basic 1H- and 13C-NMR Spectroscopy provides an introduction to the principles and applications of NMR spectroscopy. Whilst looking at the problems students encounter when using NMR spectroscopy, the author avoids the complicated mathematics that are applied within the field. Providing a rational description of the NMR phenomenon, this book is easy to read and is suitable for the undergraduate and graduate student in chemistry.

This book introduces readers interested in the field of X-ray Photoelectron Spectroscopy (XPS) to the practical concepts in this field. The book first introduces the reader to the language and concepts used in this field and then demonstrates how these concepts are applied. Including how the spectra are produced, factors that can influence the spectra (all initial and final state effects are discussed), how to derive speciation, volume analysed and how one controls this (includes depth profiling), and quantification along with background substraction and curve fitting methodologies.

This is presented in a concise yet comprehensive manner and each section is prepared such that they can be read independently of each other, and all equations are presented using the most commonly used units. Greater emphasis has been placed on spectral understanding/interpretation. For completeness sake, a description of commonly used instrumentation is also presented. Finally, some complementary surface analytical techniques and associated concepts are reviewed for comparative purposes in stand-alone appendix sections.

Provides comprehensive coverage of the interpretation of LC-MS-MS mass spectra of 1300 drugs and pesticides

• Provides a general discussion on the fragmentation of even-electron ions (protonated and deprotonated molecules) in both positive-ion and negative-ion modes
• This is the reference book for the interpretation of MS-MS mass spectra of small organic molecules
• Covers related therapeutic classes of compounds such as drugs for cardiovascular diseases, psychotropic compounds, drugs of abuse and designer drugs, antimicrobials, among many others
• Covers general fragmentation rule as well as specific fragmentation pathways for many chemical functional groups
• Gives an introduction to MS technology, mass spectral terminology, information contained in mass spectra, and to the identification strategies used for different types of unknowns

Spectroscopy is the study of the interaction between Light and Matter. SPEC-RA-SCOPE discusses the literal and metaphorical significance of Spectroscopy to both Science and Survival, and shows the relationship between various symbols and mythologies from African Cultures to topics related to the science of spectroscopy.

Microbiological Identification using MALDI-TOF and Tandem Mass Spectrometry

Detailed resource presenting the capabilities of MALDI mass spectrometry (MS) to industrially and environmentally significant areas in the biosciences

Microbiological Identification using MALDI-TOF and Tandem Mass Spectrometry fulfills a need to bring the key analytical technique of MALDI mass spectrometric analysis into routine practice by specialists and non-specialists, and technicians. It informs and educates established researchers on the development of techniques as applied to industrially significant areas within the biosciences. Throughout the text, the reader is presented with recognized and emerging techniques of this powerful and continually advancing field of analytical science to key areas of importance.

While many scientific papers are reporting new applications of MS-based analysis in specific foci, this book is unique in that it draws together an incredibly diverse range of applications that are pushing the boundaries of MS across the broad field of biosciences.

Contributed to by recognized experts in the field of MALDI MS who have been key players in promoting the advancement and dissemination of authoritative information in this field, Microbiological Identification using MALDI-TOF and Tandem Mass Spectrometry covers sample topics such as:

• Oil microbiology, marine and freshwater ecosystems, agricultural and food microbiology, and industrial waste microbiology
• Bioremediation and landfill sites microbiology, microbiology of inhospitable sites (e.g. Arctic and Antarctic, and alkaline and acidic sites, and hot temperatures)
• Veterinary, poultry and animals, viral applications of MS, and antibiotic resistance using tandem MS methods
• Recent developments which are set to transform the use of MS from its success in clinical microbiology to a wide range of commercial and environmental uses

Bridging the gap between measurement and key applications, this text is an ideal resource for industrial and environmental analytical scientists, including technologists in the food industry, pharmaceuticals, and agriculture, as well as biomedical scientists, researchers, clinicians and academics and scientists in bio-resource centers.

Written by one of the very first practitioners of ICP-MS, Practical Guide to ICP-MS and Other Atomic Spectroscopy Techniques: A Tutorial for Beginners presents ICP-MS in a completely novel and refreshing way. By comparing it with other complementary atomic spectroscopy (AS) techniques, it gives the trace element analysis user community a glimpse into why the technique was first developed and how the application landscape has defined its use today, 40 years after it was first commercialized in 1983.

What's new in the 4th edition:

• Updated chapters on the fundamental principles and applications of ICP-MS
• New chapters on complementary AS techniques including AA, AF, ICP-OES, MIP-AES, XRF, XRD, LIBS, LALI-TOFMS
• Strategies for reducing errors and contamination with plasma spectrochemical techniques
• Comparison of collision and reaction cells including triple/multi quad systems
• Novel approaches to sample digestion
• Alternative sample introduction accessories
• Comprehensive glossary of terms used in AS
• New vendor contact information

The book is not only suited to novices and beginners, but also to more experienced analytical scientists who want to know more about recent ICP-MS developments, and where the technique might be heading in the future. Furthermore, it offers much needed guidance on how best to evaluate commercial AS instrumentation and what might be the best technique, based on your lab's specific application demands.

I feel honored to have been asked to deliver the Foreword for this book, which is suited not only for beginners, but also for more experienced analytical scientists who want to know the advances in plasma spectrochemistry instrumentation and related future opportunities.

-Dr. Heidi Goenaga Infante, LGC Science Fellow; Chief Scientist, National Measurement Laboratory, Visiting Professor, University of Strathclyde, UK.

The ultra-bright femtosecond X-ray pulses provided by X-ray free electron lasers (XFELs) open up opportunities to study the structure and dynamics of a wide variety of systems beyond what is possible with synchrotron sources. This book introduces the principles and properties of currently operating and future XFELs, before outlining applications in materials science, chemistry and biology. Edited by pioneers in this exciting field, and featuring contributions from leading researchers, this book is ideal for researchers working with XFELs, synchrotron radiation, ultrafast and femtosecond crystallography and femtosecond spectroscopy.

The book provides an up-to-date overview of the fast growing area of Raman spectroscopy.

The two-volume work describes how analytic methods using Raman spectroscopy allow for the chemical analysis of materials, providing even spatial resolution without precedent. In addition, external perturbations (strain, temperature, pressure) on molecules and their alignment can be analyzed. Raman spectroscopy can also provide information about the interactions of components, again at a high level of spatial resolution.

In the form of tip-enhanced Raman spectroscopy (TERS), the method is a valuable tool for nanotechnology. This book is intended for researchers or lecturers in chemistry and materials science, who are interested in the composition and properties of their samples. It describes how Raman spectroscopy will enable them to examine thin layers, surfaces, and interfaces and improve their knowledge about the properties of composites. In addition, it can serve as a short introduction to vibrational spectroscopy.

This book is an accessible introduction to the world of ultrafast lasers and optics, explaining key principles and practical use cases.

Reflecting emerging methods and the evolution of the field, Introduction to Texture Analysis: Macrotexture, Microtexture, and Orientation Mapping keeps mathematics to a minimum in covering both traditional macrotexture analysis and more advanced electron-microscopy-based microtexture analysis. The authors integrate the two techniques and address the subsequent need for a more detailed explanation of philosophy, practice, and analysis associated with texture analysis. The book illustrates approaches to orientation measurement and interpretation and elucidates the fundamental principles on which measurements are based. Thoroughly updated, this Third Edition of a best-seller is a rare introductory-level guide to texture analysis.

• Discusses terminology associated with orientations, texture, and their representation, as well as the diffraction of radiation, a phenomenon that is the basis for almost all texture analysis
• Covers data acquisition, as well as representation and evaluation related to the well-established methods of macrotexture analysis
• Updated to include experimental details of the latest transmission or scanning electron microscope-based techniques for microstructure analysis, including electron backscatter diffraction (EBSD)
• Describes how microtexture data are evaluated and represented and emphasizes the advances in orientation microscopy and mapping, and advanced issues concerning crystallographic aspects of interfaces and connectivity
• Offers new and innovative grain boundary descriptions and examples

This book is an ideal tool to help readers in the materials sciences develop a working understanding of the practice and applications of texture.

Reflecting emerging methods and the evolution of the field, Introduction to Texture Analysis: Macrotexture, Microtexture, and Orientation Mapping keeps mathematics to a minimum in covering both traditional macrotexture analysis and more advanced electron-microscopy-based microtexture analysis. The authors integrate the two techniques and address the subsequent need for a more detailed explanation of philosophy, practice, and analysis associated with texture analysis. The book illustrates approaches to orientation measurement and interpretation and elucidates the fundamental principles on which measurements are based. Thoroughly updated, this Third Edition of a best-seller is a rare introductory-level guide to texture analysis.

• Discusses terminology associated with orientations, texture, and their representation, as well as the diffraction of radiation, a phenomenon that is the basis for almost all texture analysis
• Covers data acquisition, as well as representation and evaluation related to the well-established methods of macrotexture analysis
• Updated to include experimental details of the latest transmission or scanning electron microscope-based techniques for microstructure analysis, including electron backscatter diffraction (EBSD)
• Describes how microtexture data are evaluated and represented and emphasizes the advances in orientation microscopy and mapping, and advanced issues concerning crystallographic aspects of interfaces and connectivity
• Offers new and innovative grain boundary descriptions and examples

This book is an ideal tool to help readers in the materials sciences develop a working understanding of the practice and applications of texture.