Rotational Structure in Molecular Infrared Spectra, Second Edition, fills the gap between these complex topics and the most elementary methods in the field of rotational structure in the infrared spectra of gaseous molecules. Combining foundational theoretical information with advanced applications, this book is a useful guide for all those involved in the application of molecular spectroscopic techniques and the interpretation of vibration-rotation spectra. Interpreting vibration-rotation spectra is an important skill in many scientific disciplines, ranging from nanochemistry to planetary research, hence this book is an ideal resource.

This text is aimed at people who have some familiarity with high-resolution NMR and who wish to deepen their understanding of how NMR experiments actually 'work'. This revised and updated edition takes the same approach as the highly-acclaimed first edition. The text concentrates on the description of commonly-used experiments and explains in detail the theory behind how such experiments work. The quantum mechanical tools needed to analyse pulse sequences are introduced set by step, but the approach is relatively informal with the emphasis on obtaining a good understanding of how the experiments actually work. The use of two-colour printing and a new larger format improves the readability of the text. In addition, a number of new topics have been introduced:

How product operators can be extended to describe experiments in AX2 and AX3 spin systems, thus making it possible to discuss the important APT, INEPT and DEPT experiments often used in carbon-13 NMR.Spin system analysis i.e. how shifts and couplings can be extracted from strongly-coupled (second-order) spectra.How the presence of chemically equivalent spins leads to spectral features which are somewhat unusual and possibly misleading, even at high magnetic fields.A discussion of chemical exchange effects has been introduced in order to help with the explanation of transverse relaxation.The double-quantum spectroscopy of a three-spin system is now considered in more detail.

Reviews of the First Edition

"For anyone wishing to know what really goes on in their NMR experiments, I would highly recommend this book" - "Chemistry World"

..".I warmly recommend for budding NMR spectroscopists, or others who wish to deepen their understanding of elementary NMR theory or theoretical tools" - "Magnetic Resonance in Chemistry"

Combines clear and concise discussions of key NMR concepts with succinct and illustrative examples Designed to cover a full course in Nuclear Magnetic Resonance (NMR) Spectroscopy, this text offers complete coverage of classic (one-dimensional) NMR as well as up-to-date coverage of two-dimensional NMR and other modern methods. It contains practical advice, theory, illustrated applications, and classroom-tested problems; looks at such important ideas as relaxation, NOEs, phase cycling, and processing parameters; and provides brief, yet fully comprehensible, examples. It also uniquely lists all of the general parameters for many experiments including mixing times, number of scans, relaxation times, and more. Nuclear Magnetic Resonance Spectroscopy: An Introduction to Principles, Applications, and Experimental Methods, 2nd Edition begins by introducing readers to NMR spectroscopy - an analytical technique used in modern chemistry, biochemistry, and biology that allows identification and characterization of organic, and some inorganic, compounds. It offers chapters covering: Experimental Methods; The Chemical Shift; The Coupling Constant; Further Topics in One-Dimensional NMR Spectroscopy; Two-Dimensional NMR Spectroscopy; Advanced Experimental Methods; and Structural Elucidation. Features classical analysis of chemical shifts and coupling constants for both protons and other nuclei, as well as modern multi-pulse and multi-dimensional methods Contains experimental procedures and practical advice relative to the execution of NMR experiments Includes a chapter-long, worked-out problem that illustrates the application of nearly all current methods Offers appendices containing the theoretical basis of NMR, including the most modern approach that uses product operators and coherence-level diagrams By offering a balance between volumes aimed at NMR specialists and the structure-determination-only books that focus on synthetic organic chemists, Nuclear Magnetic Resonance Spectroscopy: An Introduction to Principles, Applications, and Experimental Methods, 2nd Edition is an excellent text for students and post-graduate students working in analytical and bio-sciences, as well as scientists who use NMR spectroscopy as a primary tool in their work.

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.

Assembling the work of an international panel of researchers, Mass Spectrometry of Nucleosides and Nucleic Acids summarizes and reviews the latest developments in the field and provides a window on the next generation of analysis. Beginning with an overview of recent developments, the book highlights the most popular ionization methods and illustrates the diversity of strategies employed in the characterization and sequencing of DNA and RNA oligomers, nucleosides, nucleotides, and adducts. It describes studies performed on deoxyinosine and its analogues and provides an introduction to tandem mass spectrometry (MS/MS).

Next, the contributors examine mass spectrometric application in the study of cyclic nucleotides in biochemical signal transduction. They analyze urinary modified nucleosides and explore DNA adducts. They discuss isotope labeling of DNA-mass spectrometry (ILD-MS) and examine various uses of electrospray ionization mass spectrometry (ESI-MS). The book reviews recent progress in the direct MS characterization of noncovalent nucleic acid-protein complexes, explores the interaction and ionization of guanidine-derived compounds with highly acidic biomolecules, and examines quantitative identification of nucleic acids via signature digestion products detected using mass spectrometry.

The book describes a direct-infusion ESI-MS approach that can serve as a screening technique for the presence of modified nucleosides from small RNAs. Lastly, it discusses the LC-MS/MS method for the in vitro replication studies on damage-containing DNA substrates, and concludes with an examination of the influence of metal ions on the structure and reactivity of nucleic acids.

The exciting developments in mass spectrometry technology have fueled incredible advances in our understanding of nucleic acids and their complexes. The contributions presented in this volume capture the range of these advances, helping to inspire new findings and avenues of research.

Provides students and practitioners with a solid grounding in the theory of chromatography, important considerations in its application, and modern instrumentation. * Highlights the primary variables that practitioners can manipulate, and how those variables influence chromatographic separations * Includes multiple figures that illustrate the application of these methods to actual, complex chemical samples * Problems are embedded throughout the chapters as well as at the end of each chapter so that students can check their understanding before continuing on to new sections * Each section includes numerous headings and subheadings, making it easy for faculty and students to refer to and use the information within each chapter selectively * The focused, concise nature makes it useful for a modular approach to analytical chemistry courses

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.

This book offers a complete diagnosis of concrete samples collected from a pile cap block of residential buildings affected by internal swelling reactions. Covering an extensive laboratory campaign to evaluate the transport properties of concrete samples, as well as their physical and chemical composition using advanced techniques to analyse cores extracted from real buildings that have concrete elements affected by internal swelling reactions (ISR). It features several rehabilitation procedures, pile caps repair and rehabilitation design, executed using strengthening procedures to provide the complete restoration of the structural integrity of the element deteriorated. These rehabilitation procedures proved to be a good solution to retrofit pile cap deteriorated by expansions due to internal swelling reactions of concrete. The book also offers a systematic review of the current state of knowledge and it is a valuable resource for scientists, students, and practitioners in various scientific and engineering disciplines, namely, civil and materials engineering, as well as and other interested parties.

Chemical Analysis and Material Characterization by Spectrophotometry integrates and presents the latest known information and examples from the most up-to-date literature on the use of this method for chemical analysis or materials characterization. Accessible to various levels of expertise, everyone from students, to practicing analytical and industrial chemists, the book covers both the fundamentals of spectrophotometry and instrumental procedures for quantitative analysis with spectrophotometric techniques. It contains a wealth of examples and focuses on the latest research, such as the investigation of optical properties of nanomaterials and thin solid films.

Atomistic simulations of metals under irradiation are indispensable for understanding damage processes at time- and length-scales beyond the reach of experiment. Previously, such simulations have largely ignored the effect of electronic excitations on the atomic dynamics, even though energy exchange between atoms and electrons can have significant effects on the extent and nature of radiation damage. This thesis presents the results of time-dependent tight-binding simulations of radiation damage, in which the evolution of a coupled system of energetic classical ions and quantum mechanical electrons is correctly described. The effects of electronic excitations in collision cascades and ion channeling are explored and a new model is presented, which makes possible the accurate reproduction of non-adiabatic electronic forces in large-scale classical molecular dynamics simulations of metals.

This book introduces the physics and chemistry of plastic scintillators (fluorescent polymers) that are able to emit light when exposed to ionizing radiation, discussing their chemical modification in the early 1950s and 1960s, as well as the renewed upsurge in interest in the 21st century. The book presents contributions from various researchers on broad aspects of plastic scintillators, from physics, chemistry, materials science and applications, covering topics such as the chemical nature of the polymer and/or the fluorophores, modification of the photophysical properties (decay time, emission wavelength) and loading of additives to make the material more sensitive to, e.g., fast neutrons, thermal neutrons or gamma rays. It also describes the benefits of recent technological advances for plastic scintillators, such as nanomaterials and quantum dots, which allow features that were previously not achievable with regular organic molecules or organometallics.

recently discovered advantages of amorphous forms of medicines/pharmaceutical products which focused a significant part of industry-related efforts on the GFA (Glass Forming Ability) and the glass temperature (T) versus pressure g dependences. 1 b ? 0 ? ? o ? P ? Pg P ? Pg 0 ? ? ? ? T (P ) = F (P )D (P ) =T 1 + exp ? g g ? 0 ? ? ? ? c + Pg ? ? ? ? 400 1 b 0 o ? ? ? ? P ? P P ? P g g 0 ? ? ? ? T (P ) = F (P )D (P ) =T 1 + exp ? g g 0 ? ? ? ? c ? + P max g ? ? ? ? T ~7 GPa g max P ~ 304 K Liquid g 300 1 HS glass 0 200 -1 mSG ?=0. 044 Liquid -2 100 -3 glass ?=0. 12 -1. 2 -0. 9 -0. 6 -0. 3 0. 0 log T 10 scaled -1 0 1 2 3 4 5 6 7 8 9 10 11 12 P (GPa) g 19 Figure 1. T he pressure evolution of the glass temperature in gl Th ye s cerol ol . id curve shows the parameterization of experimental data via the novel, modifie d Glat Sizm elon type equation, given in the Figure.

This expanded and updated well-established textbook contains an advanced presentationof quantum mechanics adapted to the requirements of modern atomic physics. Itincludes topics of current interest such as semiclassical theory, chaos, atom optics andBose-Einstein condensation in atomic gases. In order to facilitate the consolidationof the material covered, various problems are included, together with completesolutions. The emphasis on theory enables the reader to appreciate the fundamentalassumptions underlying standard theoretical constructs and to embark on independentresearch projects. The fourth edition of Theoretical Atomic Physics contains anupdated treatment of the sections involving scattering theory and near-thresholdphenomena manifest in the behaviour of cold atoms (and molecules). Special attentionis given to the quantization of weakly bound states just below the continuum thresholdand to low-energy scattering and quantum reflection just above. Particular emphasisis laid on the fundamental differences between long-ranged Coulombic potentialsand shorter-ranged potentials falling off faster than 1/r2 at large distances r. The newsections on tunable near-threshold Feshbach resonances and on scattering in two spatialdimensions also address problems relevant for current and future research in the fieldof cold (and ultra-cold) atoms. Graduate students and researchers will find this book avaluable resource and comprehensive reference alike.

The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.

Solid Phase Microextraction (SPME) has been introduced as a modern alternative to current sample preparation technology, and has a wide range of applications. Focusing on quantitative aspects of analysis, Applications of Solid Phase Microextraction aims to describe these applications.

In industry, practical uses of SPME can be found in environmental, food, pharmaceutical, clinical and forensic applications, all of which are described in this book. Important scientific applications such as reaction monitoring, characterization of coatings and distributions of analytes in natural multiphase systems are also discussed. Throughout there are descriptions of new technologies, including new coatings and interfaces for analytical instrumentation (SPME/LC and SPME/CE), automation and calibration processes.

Written by internationally recognised experts, edited by the scientist involved in the research since its infancy, and encompassing a wide range of applications, this book will be ideal for anyone wishing to explore the feasibility of using SPME technology.

This book presents photoelectron spectroscopy as a valuable method for studying the electronic structures of various solid materials in the bulk state, on surfaces, and at buried interfaces. This second edition introduces the advanced technique of high-resolution and high-efficiency spin- and momentum-resolved photoelectron spectroscopy using a novel momentum microscope, enabling high-precision measurements down to a length scale of some tens of nanometers. The book also deals with fundamental concepts and approaches to applying this and other complementary techniques, such as inverse photoemission, photoelectron diffraction, scanning tunneling spectroscopy, as well as photon spectroscopy based on (soft) x-ray absorption and resonance inelastic (soft) x-ray scattering. This book is the ideal tool to expand readers' understanding of this marvelously versatile experimental method, as well as the electronic structures of metals and insulators.

This book presents a careful selection of the most important developments of the \phi^4 model, offering a judicious summary of this model with a view to future prospects and the challenges ahead. Over the past four decades, the \phi^4 model has been the basis for a broad array of developments in the physics and mathematics of nonlinear waves. From kinks to breathers, from continuum media to discrete lattices, from collisions of solitary waves to spectral properties, and from deterministic to stochastic models of \phi^4 (and \phi^6, \phi^8, \phi^12 variants more recently), this dynamical model has served as an excellent test bed for formulating and testing the ideas of nonlinear science and solitary waves.

Written by leading international experts in academia and industry, Advances in Chromatography, Volume 46 presents all new chapters with thorough reviews on the latest developments in the field.

Volume 46 includes new advances in two-dimensional gas chromatography, reversed phase liquid chromatography/shape selectivity, and supercritical fluid chromatography. The book highlights enantioselective separations with emphasis on chiral recognition mechanisms, screening approaches, and separation speed. It also emphasizes hyphenated techniques and enhanced fluidity chromatography with emphasis on monolithic organo-silica hybrid columns. This volume provides an excellent starting point for gaining quick knowledge to the field of separation science.

This book focuses on the essential scientific ideas and breakthroughs in the last three decades for organic solar cells that have realized practical applications. The motivation for publishing this book is to explain how those essential ideas have arisen and to provide a foundation for future progress by target readers-students, novices in the field, and scientists with expertise. The main topics covered in the book include the fundamental principles and history of organic solar cells, blended junction, nanostructure control, photocurrent generation, photovoltage generation, doping, practical organic solar cells, and possible ideas for the future. The editors enthusiastically anticipate the vigorous development of the field of organic solar cells by young scientists of the next generation.

For more than four decades, scientists and researchers have relied on the Advances in Chromatography series for the most up-to-date information on a wide range of developments in chromatographic methods and applications. Volume 45 of this authoritative series once again compiles the work of expert contributors in order to present timely and cutting-edge reviews on a variety of related topics. This volume focuses on applying various chromatographic techniques to combinatorial methods and high-throughput analyses. The authors address various limitations to traditional techniques and present developments that enable scientists to analyze a higher volume of smaller molecules under high-throughput conditions more efficiently. Other practical topics include discussions of selection criteria for using alternative solvents and reagents, minimum requirements for utilizing readily available instrumentation and methods for new applications, the use of high-throughput purification for obtaining higher quality leads, and new chromatographic data on organic endocrine disrupters. Advances in Chromatography: Volume 45 provides a good starting point to gain quick and up-to-date knowledge of the field and its most recent developments. Each author's clear presentation of topics and vivid illustrations make the material accessible and engaging to a variety of chemists with different levels of technical skill.

This volume of the CRM Conference Series is based on a carefully refereed selection of contributions presented at the "11th International Symposium on Quantum Theory and Symmetries", held in Montreal, Canada from July 1-5, 2019. The main objective of the meeting was to share and make accessible new research and recent results in several branches of Theoretical and Mathematical Physics, including Algebraic Methods, Condensed Matter Physics, Cosmology and Gravitation, Integrability, Non-perturbative Quantum Field Theory, Particle Physics, Quantum Computing and Quantum Information Theory, and String/ADS-CFT. There was also a special session in honour of Decio Levi. The volume is divided into sections corresponding to the sessions held during the symposium, allowing the reader to appreciate both the homogeneity and the diversity of mathematical tools that have been applied in these subject areas. Several of the plenary speakers, who are internationally recognized experts in their fields, have contributed reviews of the main topics to complement the original contributions.

Annual Reports on NMR Spectroscopy, Volume 96, provides an in-depth accounting of progress in nuclear magnetic resonance (NMR) spectroscopy and its many applications, including 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, with this new release focusing on Recent Advances in Absolute Shielding Scales for NMR Spectroscopy, Applications of Hyperpolarus Long-Lived States in Drug Screening, and Characterization of Mixed Network Phosphate Classes by 1D and 2D NMR Techniques, amongst other topics.

Used primarily for characterizing polymers and biological systems, vibrational spectroscopy continues to uncover structural information pertinent to a growing number of applications. Vibrational Spectroscopy of Biological and Polymeric Materials compiles the latest developments in advanced infrared and Raman spectroscopic techniques that are applicable to both polymeric materials and biological compounds. It also presents instrumentation and experimental details that can be used by polymer chemists and biochemists in the design of their own experiments. The text starts by describing the application of static and dynamic FT-IR spectroscopies to liquid crystalline polyurethanes, including a clear exposition of the theory behind the experiments. It discusses the measurement of static and dynamic linear dichroism and stress or strain in both single and multiple fiber composite materials. The book explains the roles of vibrational spectroscopy and the Langmuir-Blodgett technique in the study and preparation of high-quality ultrathin materials. Chapters rich in both theoretical and experimental details describe two-dimensional correlation spectroscopy and vibrational circular dichroism. Biomedically-oriented chapters describe the advances in IR imaging of tissues made possible by focal-plane arrays; as well as the use of ligand-gated FT-IR difference spectroscopy in neuropharmacology, particularly in identifying ligands and modes of action for the large number of membrane receptors recently identified in the human genome. The final chapter discusses the application of time-resolved FT-IR spectroscopy to biological materials, providing a detailed guide to the use of commercial step-scan instrumentation for examining sub-millisecond mechanistic details of photobiological processes. Written by eminent experts in these fields, Vibrational Spectroscopy of Biological and Polymeric Materials is an ideal and practical reference for the broad spectrum of researchers interested in the analysis and integration of biological and polymeric materials.

This book offers selected contributions to fundamental research and application in designing and engineering materials. It focuses on mechanical engineering applications such as automobile, railway, marine, aerospace, biomedical, pressure vessel technology, and turbine technology. This includes a wide range of material classes, like lightweight metallic materials, polymers, composites, and ceramics. Advanced applications include manufacturing using the new or newer materials, testing methods, and multi-scale experimental and computational aspects.