This book is an essential reference guide to spectroscopic, physical and biological activity data of over 3500 steroid glycosides, offering the structures and the data of the naturally occurring glycosides of steroids. All compounds are arranged according to the structure of the aglycone, and, in its own class, by the increasing molecular weight, making Spectroscopic Data of Steroid Glycosides extremely useful for the structure elucidation of new natural products, particularly glycosides.

This thesis presents the discovery of a surprising phase transition between a topological and a broken symmetry phase. Phase transitions between broken symmetry phases involve a change in symmetry and those between topological phases require a change in topological order; in rare cases, however, transitions may occur between these two broad classes of phases in which the vanishing of the topological order is accompanied by the emergence of a broken symmetry. This thesis describes observations of such a special phase transition in the two-dimensional electron gas confined in the GaAs/AlGaAs structures. When tuned by hydrostatic pressure, the = 5/2 and = 7/2 fractional quantum Hall states, believed to be prototypical non-Abelian topological phases of the Pfaffian universality class, give way to an electronic nematic phase. Remarkably, the fractional quantum Hall states involved are due to pairing of emergent particles called composite fermions. The findings reported here, therefore, provide an interesting example of competition of pairing and nematicity. This thesis provides an introduction to quantum Hall physics of the two-dimensional electron gas, contains details of the high pressure experiments, and offers a discussion of the ramifications and of the origins of the newly reported phase transition.

CD and MCD spectroscopy can provide key information about the conformations and electronic states of chromophore containing molecules. However, the theory has remained too challenging and inaccessible for many organic chemists and biochemists and only a few researchers have carried out detailed quantitative analyses of their spectral data. This is not surprising as people who excel at spectroscopic theory usually lack the skills set required to design and synthesise the molecules that would be most appropriate for describing and explaining the theory of CD and MCD spectroscopy. Most of the books that have been written on the subject have, therefore, been based on very dense sets of mathematical equations. This timely book rectifies that situation by summarizing the relationship between the different types of spectra and by describing in detail the qualitative and quantitative methods which can readily be used to analyse CD and MCD spectral data. During the last decade the authors have successfully synthesized several molecules to illustrate key points related to the theory of CD and MCD spectroscopy, resulting in this definitive book providing key practical knowledge in a readily accessible style. It is aimed primarily at organic chemists and biochemists and provides the required reading for researchers active in the field. In the introduction, the book describes the types of information that can be derived from CD and MCD spectroscopy. After a detailed explanation of the theory of electronic absorption spectroscopy, it then provides practical in depth examples of the various analytical methods that can be carried out with CD and MCD spectral data. This makes the theory of these techniques much more accessible for researchers who do not specialise in physical chemistry.

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.

Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of Hartree-Fock(HF), Density Function theory(DFT) and hybrid Hamiltonians. The translation and site symmetry consideration is included to establish connection between k-space solid -state physics and real-space quantum chemistry. The inclusion of electron correlation effects for periodic systems is considered on the basis of localized crystalline orbitals. The possibilities of LCAO methods for chemical bonding analysis in periodic systems are discussed.
The second part deals with the applications of LCAO methods for calculations of bulk crystal properties, including magnetic ordering and crystal structure optimization. In the second edition two new chapters are added in the application part II of the book.
Chapter 12 deals with the recent LCAO calculations and illustrates the efficiency of the scalar-relativistic LCAO method for solids, containing heavy atoms. Chapter 13 deals with the symmetry properties and the recent applications of LCAO method to inorganic nanotubes.
New material is added to chapter 9 devoted to LCAO calculations of perfect-crystal properties. The possibilities of LCAO method for calculation of the high-frequency dielectric constants of crystals and the description of phase transitions in solids are discussed. The efficiency of LCAO method in the quantum-mechanics-molecular dynamics approach to the interpretation of x-ray absorption and EXAFS spectra is illustrated. A new section is devoted to recent LCAO calculations of electronic, vibrational and magnetic properties of tungstates MeWO4 (Me: Fe, Co, Ni, Cu, Zn, Cd)."

Nuclear magnetic resonance (NMR) spectroscopy is one of the most powerful and widely used techniques in chemical research for investigating structures and dynamics of molecules. Advanced methods can even be utilized for structure determinations of biopolymers, for example proteins or nucleic acids. NMR is also used in medicine for magnetic resonance imaging (MRI). The method is based on spectral lines of different atomic nuclei that are excited when a strong magnetic field and a radiofrequency transmitter are applied. The method is very sensitive to the features of molecular structure because also the neighboring atoms influence the signals from individual nuclei and this is
important for determining the 3D-structure of molecules.
This new edition of the popular classic has a clear style and a highly practical, mostly non-mathematical approach. Many examples are taken from organic and organometallic chemistry, making this book an invaluable guide to undergraduate and graduate students of organic chemistry, biochemistry, spectroscopy or physical chemistry, and to researchers using this well-established and extremely important technique. Problems and solutions are included.

Impedance Spectroscopy is a powerful measurement method used in many application fields such as electro chemistry, material science, biology and medicine, semiconductor industry and sensors. Using the complex impedance at various frequencies increases the informational basis that can be gained during a measurement. It helps to separate different effects that contribute to a measurement and, together with advanced mathematical methods, non-accessible quantities can be calculated. This book is the second in the series Lecture Notes on Impedance Spectroscopy (LNIS). The series covers new advances in the field of impedance spectroscopy including fundamentals, methods and applications. It releases scientific contributions as extended chapters including detailed information about recent scientific research results.

Analytical Methods for Food Safety by Mass Spectrometry, Volume Two: Veterinary Drugs systematically introduces the Pesticide and Veterinary Drug Multiresidues Analytical Methods, with discussions on 69 veterinary drug multiresidues chromatic-MS analytical methods that are capable of detecting over 200 veterinary drugs and chemical residues of 20 categories, such as ss-agonists, ss-lactams, aminoglycosides, amphenicols, anabolic hormone, anabolic steroids, avermectins, benzimidazole, cephalosporins, glucocorticoid steroids, macrolides, nitrofurans, nitroimidazoles, NSAIDs, polyether, polypeptides, progestagens, pyrazolones, quinolones, quinoxalines, sedatives, sulfonamides, synthetic estrogens, tetracyclines, thyreostats, and other toxins in animal and poultry tissues, acquatic products, milk, milk powders and bee products. This valuable book can be used as reference for not only university students, but also technical personnel of different specialties who are engaged with study and applications, such as food safety, agricultural environment protection, pesticide development, and utilization in scientific research units, institutions and quality inspection organizations.

Analytical Methods for Food Safety by Mass Spectrometry, Volume One: Pesticides systematically introduces the Pesticide and Veterinary Drug Multiresidues Analytical Methods. Volume One includes discussions on 20 pesticide multiresidues chromatic-MS (GC-MS and LC-MS/MS) analytical techniques that have the capability of detecting over 800 pesticides and chemicals in 10 categories of agricultural products, including fruits, vegetables, grains, teas, Chinese medicinal herbs, edible fungus mushrooms, fruit and vegetable juices, animal tissues, aquatic products, raw milk and milk powders, and drinkable water. This book also includes chromatic-MS analytical parameters, linear equations and GPC chromatic behavior parameters for over 800 pesticides. This valuable book can be used as reference for not only university students, but also technical personnel of different specialties who are engaged with study and applications, such as food safety, agricultural environment protection, pesticide development, and utilization in scientific research units, institutions and quality inspection organizations.

Spectroscopic Properties of Inorganic and Organometallic Compounds provides a unique source of information on an important area of chemistry. Divided into sections mainly according to the particular spectroscopic technique used, coverage in each volume includes: NMR (with reference to stereochemistry, dynamic systems, paramagnetic complexes, solid state NMR and Groups 13-18); nuclear quadrupole resonance spectroscopy; vibrational spectroscopy of main group and transition element compounds and coordinated ligands; and electron diffraction. Reflecting the growing volume of published work in this field, researchers will find this Specialist Periodical Report an invaluable source of information on current methods and applications. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading experts in their specialist fields, this series is designed to help the chemistry community keep current with the latest developments in their field. Each volume in the series is published either annually or biennially and is a superb reference point for researchers. www.rsc.org/spr

This book summarizes the highlights of our work on the bond polarizability approach to the intensity analysis. The topics covered include surface enhanced Raman scattering, Raman excited virtual states and Raman optical activity (ROA). The first chapter briefly introduces the Raman effect in a succinct but clear way. Chapter 2 deals with the normal mode analysis. This is a basic tool for our work. Chapter 3 introduces our proposed algorithm for the Raman intensity analysis. Chapter 4 heavily introduces the physical picture of Raman virtual states. Chapter 5 offers details so that the readers can have a comprehensive idea of Raman virtual states. Chapter 6 demonstrates how this bond polarizability algorithm is extended to ROA intensity analysis. Chapters 7 and 8 offer details on ROA, showing many findings on ROA mechanism that were not known or neglected before. Chapter 9 introduces our proposed classical treatment on ROA which, as combined with the results from the bond polarizability analysis, leads to a comprehensive physical picture for the Raman effect. In particular, this classical treatment unifies ROA and VCD (vibrational circular dichroism) on equal footing. In each section, Comments summarize the key ideas and their evaluation. This will help the readers to capture the core ideas of the presentations.

The text Organic Structures from 2D NMR Spectra contains a graded set of structural problems employing 2D-NMR spectroscopy. The Instructors Guide and Solutions Manual to Organic Structures from 2D NMR Spectra is a set of step-by-step worked solutions to every problem in Organic Structures from 2D NMR Spectra. While it is absolutely clear that there are many ways to get to the correct solution of any of the problems, the instructors guide contains at least one complete pathway to every one of the questions. In addition, the instructors guide carefully rationalises every peak in every spectrum in relation to the correct structure. The Instructors Guide and Solutions Manual to Organic Structures from 2D NMR Spectra: Is a complete set of worked solutions to the problems contained in Organic Structures from 2D NMR Spectra. Provides a step-by-step description of the process to derive structures from spectra as well as annotated 2D spectra indicating the origin of every cross peak. Highlights common artefacts and re-enforces the important characteristics of the most common techniques 2D NMR techniques including COSY, NOESY, HMBC, TOCSY, CH-Correlation and multiplicity-edited C-H Correlation. This guide is an essential aid to those teachers, lecturers and instructors who use Organic Structures from 2D NMR as a text to teach students of Chemistry, Pharmacy, Biochemistry and those taking courses in Organic Chemistry.

Infrared and Raman Spectroscopy, Principles and Spectral Interpretation, Second Edition provides a solid introduction to vibrational spectroscopy with an emphasis on developing critical interpretation skills. This book fully integrates the use of both IR and Raman spectroscopy as spectral interpretation tools, enabling the user to utilize the strength of both techniques while also recognizing their weaknesses. This second edition more than doubles the amount of interpreted IR and Raman spectra standards and spectral unknowns. The chapter on characteristic group frequencies is expanded to include increased discussions of sulphur and phosphorus organics, aromatic and heteroaromatics as well as inorganic compounds. New topics include a discussion of crystal lattice vibrations (low frequency/THz), confocal Raman microscopy, spatial resolution in IR and Raman microscopy, as well as criteria for selecting Raman excitation wavelengths. These additions accommodate the growing use of vibrational spectroscopy for process analytical monitoring, nanomaterial investigations, and structural and identity determinations to an increasing user base in both industry and academia.

Molecular and Laser Spectroscopy: Advances and Applications provides students and researchers with an up-to-date understanding of the fast-developing area of molecular and laser spectroscopy. Editor V.P. Gupta has brought together the eminent scientists on a selection of topics to develop a systematic approach, first covering basic principles needed to understand each cutting-edge technique and application. This book acts as a standard reference for advanced students of molecular and laser spectroscopy and as a graduate text for new entrants in the field. The book covers a wide range of applications of molecular and laser spectroscopy in diverse areas ranging from materials to medicine and defence, biomedical research, environmental monitoring, forensic investigations, food and agriculture, and chemical, pharmaceutical and petrochemical processes. Researchers and scientific personnel in these fields will learn the latest techniques in order to put them to practical use in their work.

NMR Case Studies: Data Analysis of Complicated Molecules provides a detailed discussion of the full logical flow associated with assigning the NMR spectra of complex molecules, also helping readers further develop their NMR spectral assignment skills. The robust case studies present the logic of each assignment, from beginning to end, fully exploring the available range of potential solutions. Readers will gain a better appreciation of various approaches and develop an intuitive sense for when this particular concept should be implemented, thus enhancing their skillsets and providing a host of methodologies potentially amenable to yielding correct assignments. Authored by a scientist with more than 20 years of experience in research and instruction, this book is the ideal reference for anyone in search of application-based content. The book addresses complicated molecules, including corticosteroids, biomolecules, polypeptides, and secondary metabolites.

Handbook of Advanced Chromatography /Mass Spectrometry Techniques is a compendium of new and advanced analytical techniques that have been developed in recent years for analysis of all types of molecules in a variety of complex matrices, from foods to fuel to pharmaceuticals and more. Focusing on areas that are becoming widely used or growing rapidly, this is a comprehensive volume that describes both theoretical and practical aspects of advanced methods for analysis. Written by authors who have published the foundational works in the field, the chapters have an emphasis on lipids, but reach a broader audience by including advanced analytical techniques applied to a variety of fields. Handbook of Advanced Chromatography / Mass Spectrometry Techniques is the ideal reference for those just entering the analytical fields covered, but also for those experienced analysts who want a combination of an overview of the techniques plus specific and pragmatic details not often covered in journal reports. The authors provide, in one source, a synthesis of knowledge that is scattered across a multitude of literature articles. The combination of pragmatic hints and tips with theoretical concepts and demonstrated applications provides both breadth and depth to produce a valuable and enduring reference manual. It is well suited for advanced analytical instrumentation students as well as for analysts seeking additional knowledge or a deeper understanding of familiar techniques.

Helping you better understand the processes, instruments, and methods of aerosol spectroscopy, Fundamentals and Applications in Aerosol Spectroscopy provides an overview of the state of the art in this rapidly developing field. It covers fundamental aspects of aerosol spectroscopy, applications to atmospherically and astronomically relevant problems, and several aspects that need further research and development. Chapters in the book are arranged in order of decreasing wavelength of the light/electrons. The text starts with infrared spectroscopy, one of the most important aerosol characterization methods for laboratory studies, field measurements, remote sensing, and space missions. It then focuses on Raman spectroscopy for investigating aerosol processes in controlled laboratory studies and for analyzing environmental particles and atmospheric pollution. The next section discusses the use of cavity ring-down spectroscopy to measure light extinction, laser-induced fluorescence spectroscopy to identify and classify biological aerosol particles, and ultrafast laser techniques to improve the specificity of bioaerosol detection. The final section examines recent developments involving novel techniques based on UV, x-ray, and electron beam studies. This book offers the first comprehensive overview of the spectroscopy of aerosols. It includes some results for the first time in the literature and presents a unique link between fundamental aspects and applications.

This book presents a blueprint for researchers in the area of nanotechnology for chemical defense, especially with regard to future research on detection and protection. It addresses the synthesis of complex nanomaterials with potential applications in a broad range of sensing systems. Above all, it discusses novel experimental and theoretical tools for characterizing and modeling nanostructures and their integration in complex systems. The book also includes electronic structure calculations exploring the atomic and quantum mechanical mechanisms behind molecular binding and identification, so as to provide readers with an in-depth understanding of the capabilities and limitations of various nanomaterial approaches. Gathering contributions by scientists with diverse backgrounds, the book offers a wealth of insightful information for all scientists whose work involves material science and its applications in sensing.

This volume contains most of the invited talks of the 2001 meeting of the Solid State Physics Section of the Deutsche Physikalische Gesellschaft held from March 26 to 30 in Hamburg, Germany. The topics covered reflect the present activities in this lively domain of modern physics and are thus supposed to flashlight the state-of-the-art in condensed matter physics in Germany in the year 2001.

The thesis contains several pioneering results at the intersection of state-of-the-art materials characterization techniques and machine learning. The use of machine learning empowers the information extraction capability of neutron and photon spectroscopies. In particular, new knowledge and new physics insights to aid spectroscopic analysis may hold great promise for next-generation quantum technology. As a prominent example, the so-called proximity effect at topological material interfaces promises to enable spintronics without energy dissipation and quantum computing with fault tolerance, yet the characteristic spectral features to identify the proximity effect have long been elusive. The work presented within permits a fine resolution of its spectroscopic features and a determination of the proximity effect which could aid further experiments with improved interpretability. A few novel machine learning architectures are proposed in this thesis work which leverage the case when the data is scarce and utilize the internal symmetry of the system to improve the training quality. The work sheds light on future pathways to apply machine learning to augment experiments.

This book is designed to collect and review the research covering main directions in investigations of aromatic nitroso compounds in last decades, and to present both, the academic aspects of this chemistry, as well as the open field of its applicability. The book is divided in five chapters. The basic structural properties of the nitroso aromatic molecules are described in the first chapter. The second chapter is an overview of the methods of preparations of aromatic nitroso and polynitroso compounds, including classical synthetic methods and some new preparative approaches. The third part deals with the physico-chemical properties of nitroso aromates and azodioxides, its structure, crystallography, quantum chemical calculations, spectroscopy, typical reactions, and especially it is focused on the dimerizations in the solid-state. In the fourth chapter is represented organometallic chemistry of nitroso aromatic molecules and its applications in catalysis. The last part of the book deals with the behavior of this class of compounds in the biological systems, reactions with biomolecules and the use in toxicology.

Activation Spectrometry in Chemical Analysis Susan J. Parry In clear, easy-to-read language, Activation Spectrometry in Chemical Analysis provides a straightforward review of just what activation analysis can do, describing the technique as it is currently applied to biomedical, environmental, geological, and industrial analytical problems. The book outlines the specifics of the procedures that have proven critical to the technique’s success and describes the current status of activation spectrometry in a concise, three-part format: principles, techniques, and applications. Written for undergraduates and postgraduates in universities, research institutes, government, or industry, the book provides the first definitive look at the day-to-day and key uses of the method that is at once challenging and intriguing, yet simple to grasp. 1991 (0 471-63844-7) 264 pp. Principles and Practice of Spectroscopic Calibration Howard Mark Clearly linking theory with applications, this unique guide to spectroscopic calibration advances an approach that is understandable, free of the usual uncertainties, and simple to execute. The book details the practical aspects of generating a calibration equation, as well as the basics of recognizing and dealing with different types of problems affecting calibration. Most of the procedures are applicable to such sophisticated and popular approaches as Principal Component Calibration (PCA), Partial Least Squares Calibration (PLS), and Fourier Transform Calibration. 1991 (0 471-54614-3) 192 pp. Analytical Raman Spectroscopy Edited by Jeanette G. Grasselli and Bernard J. Bulkin Analytical Raman Spectroscopy charts, through a series of contributed articles, the spectacular versatility of the method and its applications in semiconductor characterization, synthetic organic polymer analysis, organic and petrochemical analysis, heterogeneous catalysts, and biological studies. Chapters feature an outline structure which systematically details the critical aspects of each subject discussed. The book provides a unique look at the field’s fundamental operational techniques, instrumentation, and up-to-the-minute advances: components of modern Raman spectrometers; Raman spectroscopy of inorganic species in solution; quantitative analysis by Raman spectroscopy; and much more. 1991 (0 471-51955-3) 480 pp.

The primary objective of this volume, the first in a new series entitled Theoretical and Computational Chemistry, is to survey some effective approaches to understanding, describing and predicting ways in which solutes and solvents interact and the effects they have upon each other. The treatment of solute/solvent interactions that is presented emphasizes a synergism between theory and experiment. Data obtained experimentally are used as a basis for developing quantitative theoretical models that permit the correlation and interpretation of the data, and also provide a predictive capability. The latter being of course a key motivation for these efforts. Linear solvation energy relationships have been quite successful in this respect and accordingly receive considerable attention. Other effective approaches, including computational ones, are also being pursued, and are discussed in several chapters. This is an area that is continually evolving, and it is hoped that the present volume will convey a sense of its dynamic nature.

Drawing on the author's practical work from the last 20 years, Techniques in High Pressure Neutron Scattering is one of the first books to gather recent methods that allow neutron scattering well beyond 10 GPa. The author shows how neutron scattering has to be adapted to the pressure range and type of measurement. Suitable for both newcomers and experienced high pressure scientists and engineers, the book describes various solutions spanning two to three orders of magnitude in pressure that have emerged in the past three decades. Many engineering concepts are illustrated through examples of real high pressure devices that have demonstrated their capacity and have produced scientific results. After introducing basic engineering concepts related to the elastic and plastic behavior of cylindrical pressure devices, the text emphasizes mechanical and neutronic properties of construction materials. Subsequent chapters describe numerous high pressure techniques, including liquid/gas, clamp, and McWhan cells. The book also focuses on Paris-Edinburgh devices, high pressure metrology, and scientific applications.

All microbes, including bacteria, viruses, and fungi, can be classified and identified by matching a few peptides known to be unique to each organism. Identifying Microbes by Mass Spectrometry Proteomics describes ways to identify microorganisms using powerful new techniques combining hardware and software and yielding highly accurate methods for detection, identification, and classification of microbes. This straightforward technology can be used to detect unknown and unsequenced microorganisms as well as microbes in complex environmental samples. This book reviews various mass analyzers used for detection and describes ionization methods frequently used for analysis of microbial constituents, a necessary step in the preparation of mass spectrometry (MS) samples. The text also discusses diverse processing methods, which are used to analyze MS files for matching mass spectral profiles, and examines protein and nucleic acid sequence-based methods capable of classification and identification of microbial agents. The book also covers sample collection methods and specific sample preparation techniques. The text addresses using computer software and bioinformatics approaches for data mining to discriminate microbes using mass spectrometry proteomics (MSP). It also discusses historical pattern recognition-based methods and other approaches such as analysis of pyrolysis products, chemical ionization (CI) of fatty acid methyl esters, and MALDI-MS. The text contains examples of the application of the MSP technique for microbe detection and includes a survey of suitable and commercially available MS-based platforms. Successful applications include the identification of unknown microbes in honey bees associated with colony collapse disorder and the analysis of virus strains from the 2009 influenza pandemic. The final chapter outlines future trends in these groundbreaking uses of MS techniques, which are fast, not limited by sample type, and show potential in answering complex environmental questions.