Modern experimental and computational techniques are capable of determining bond lengths and angles with precisions of a few thousandths of an angstrom and a few tenths of a degree. Such precisions are meaningful only if they are coupled with rigorous error analysis and careful evaluation of the physical meaning of the parameters. This book demonstrates the meaning and applicability of accurate structures and their variations following a rigorous exposure of the demands and caveats in their determination. It establishes guidelines for accuracy requirements in answering broadly varying questions in current chemical research. The 21 chapters by internationally recognized authors discuss the following topics: potential energy surfaces; microwave, infrared, and liquid crystal NMR spectroscopies; gas phase electron diffraction; X-ray and neutron crystallography; electron density studies; ab initio molecular orbital methods and molecular mechanics calculations; the use of structural databases; applications to organic inorganic and organometallic chemistry; studies of reaction pathways; effects of substitution and crystal environment on molecular structure.

Speciation analysis is a field of trace element analytical chemistry that deals with detection, identification and determination of individual chemical forms of metals and metalloids. There has been increased awareness of the importance of elemental speciation over the last 20 years and this has lead to growing demand for analytical techniques capable of providing species-specific information. Hyphenated Techniques in Speciation Analysis offers a brief but comprehensive overview of hyphenated techniques and their various applications for the determination of chemical forms of trace elements. It brings a succinct presentation of the concept of speciation analysis, gives an overview of techniques based on coupling of chromatography with element and molecule specific detection and summarises their applications in the fields of environmental and industrial chemistry, biochemistry, nutrition, toxicology and medicine. Fully referenced, Hyphenated Techniques in Speciation Analysis is an invaluable introduction to elemental speciation analysis and also provides a practising analyst with a critical overview of research carried out in the field.

Chromatography of Natural, Treated and Waste Waters is the first book to bring together information of a range of chromatographic techniques in all types of water, precipitation to sewage effluents. Organic and inorganic compounds, cations, anions and elements are all discussed. Particular attention is paid to multi compound analysis of water, and the analysis of minute traces of pollutants. Gas chromatography, high performance liquid chromatography and mass spectrometry are included, and this book is well referenced and easy to use.

eBook available with sample pages: 0203301862

Covering the principles of chromatographic separation, the chromatographic process from a physical chemical perspective, instrumentation for performing analyses, and operational procedures, this second edition offers information needed for the successful practice of gas chromatography. It contains examples of available apparatus, detectors, columns, stationary phases and operating conditions.

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

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

This book discusses the latest investigations into the electronic structure of narrow-gap semiconductors in extreme conditions, and describes in detail magnetic field and pressure measurements using two high-quality single crystals: black phosphorus (BP) and lead telluride (PbTe). The book presents two significant findings for BP and PbTe. The first is the successful demonstration of the pressure-induced transition from semiconductor to semimetal in the electronic structure of BP using magnetoresistance measurements. The second is the quantitative estimation of how well the Dirac fermion description works for electronic properties in PbTe. The overviews on BP and PbTe from the point of view of material properties help readers quickly understand the typical electronic character of narrow-gap semiconductor materials, which has recently attracted interest in topological features in condensed matter physics. Additionally the introductory review of the principles and methodology allows readers to understand the high magnetic field and pressure experiments.

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

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

Completely revised and expanded to reflect the most recent innovations in HPLC from the past decade, this authoritative reference presents practical strategies for the evaluation and analysis of proteins, peptides, and polynucleotides and offers class-specific applications for the characterization and fractionation of biological macromolecules. Contains updated material on organic supports, size exclusion, ion exchange, hydrophobic interaction, and metal interaction chromatography With more than 2200 contemporary references-over 1000 more than the previous edition- HPLC of Biological Macromolecules, Second Edition is an essential source for biochemists and analytical biochemists, molecular and cell biologists, biophysicists, geneticists, chemical and biotechnological engineers, biochemical neuroendocrinologists, and upper-level undergraduate and graduate students in these disciplines.

Provides a comprehensive guide to the use of gas chromatography-mass spectrometry (GC-MS) on environmentally significant organic compounds This book presents a library of mass spectra of 1,725 biologically and environmentally important organic compounds, in the form of their trimethylsilyl derivatives (TMS), as well as their linear temperature programmed chromatographic retention indices, RI, whose values are in the range of 700-4700 index units. Of the compounds presented, more than 60% of compounds have not previously been characterized by their mass spectra, and more than 70% not previously been characterized by their RI values. Some of these compounds, never before analysed via MS and GC, were detected by the author's team in plant tissues. The first chapters of the book are devoted to the methodology and practice of sample preparation, as well as to mass spectrometry considerations. They contain the discussion of possible complications and limitations of the method. The book includes lists of chemical compounds in alphabetical order, as well as in the order of their retention indices which facilitates the search for parameters of interest. Every compound in the book includes a RI value, mass spectrum, CAS number (if available), molecular and structural formula, formula weight, chemical name and list of synonyms, as well the source of compounds used for registration of spectrum and RI value. Features mass spectra and chromatographic retention indices of 1,725 organic substances in the form of their trimethylsilyl derivatives (TMS) Includes the CAS number, molecular and structural formula, formula weight, mass spectrum, chemical name and list of synonyms, and more for every compound covered within The first publication containing analytical parameters of high-boiling compounds such as glycosides, lignans, and phenylpropenoid glycerides with RI values >4000 GC-MS of Biologically and Environmentally Significant Organic Compounds will appeal to specialists in phytochemical analysis, food, and environmental chemistry, as well as other investigators dealing with GC or GC/MS analysis complex mixtures of organic compounds. The accompanying electronic database, "Biologically and Environmentally Important Organic Compounds - GCMS Library", will be published in mid-2020, ISBN: 978-1-119-60170-8.

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

The Clermont-Ferrand-Theix Institut National de la Recherche Agronomique (INRA) was proud to organize the 10th International Conference on the applications of Magnetic Resonance in Food Science to celebrate its 10th anniversary. This scientific event was held from 13 to 15 September 2010 in Clermont-Ferrand.

The conference attracted 90 participants from 14 countries from all over the world. The conference included 7 invited lectures, 19 oral presentations and 27 oral poster presentations. Moreover, before the scientific sessions, two postgraduate sessions were given in parallel every morning. The conference was divided in 6 sessions covering i) Data processing, ii)New developments/food system, iii) New developments/NMR, iv) Nutrition, v) Metabolomic and vi) Imaging. The book follows the form of the conference.

This year's meeting corresponded to its 10th anniversary. The first international conference was held in 1992 at the University of Surrey in Guilford on Professor Peter Belton's and Professor Graham Webb's initiative. During the last 20 years, a lot of developments were performed and the next 20 years are also very exciting.

This meeting presentations were focused on the new developments in NMR techniques: hardware as well software with metabolomic and imaging without the new applications of NMR tools in food of course and now in nutrition.

Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.

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

This book addresses Furnace Atomic Absorption Spectroscopy (FAAS), which has gained worldwide acceptance as an analytical technique. FAAS offers 100-1000 times better determination and detection limits than other techniques for a majority of the elements. This technique requires a small sample size, and demands less sample-preparation time than others. The handbook is a collection of thousands of references for detection and determination of various elements in agricultural products, biological and clinical samples, and metallurgical and electronic materials. Each chapter is devoted to an element or a similar group of elements. Included are instrumental setup parameters, references, and author and subject indexes. Also presented are detailed appendixes covering glossary, list of manufacturers of spectrophotometers and its accessories, list of chemical suppliers, and list of reviews and abstracts. The handbook covers topics such as heavy metals, clinical products, and trace metal analysis. This desk-top reference is meant for chemists who handle day-to-day analysis problems in laboratories in government, clinical, industrial and academic settings. It is invaluable for those involved in research in environmental science, analytical chemistry, clinical chemistry and forensic science.

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.

This volume dedicated to the memory of Marcel Sergent who was a leader in this field for many years, addresses past achievements and recent developments in this vibrant area of research. Large classes of ligated transition metal clusters are produced either exclusively or most reliably by means of high-temperature solid-state reactions. Among them, the Chevrel-Sergent phases and related materials have generated enormous interest since their discovery in 1971. Today, these materials and their numerous derivatives still constitute a vivid area of research finding some applications not only in superconductivity, but also in catalysis, optics or thermoelectricity to mention a few.

This is the first book covering an interdisciplinary field between microwave spectroscopy of electron paramagnetic resonance (EPR) or electron spin resonance (ESR) and chronology science, radiation dosimetry and ESR (EPR) imaging in material sciences. The main object is to determine the elapsed time with ESR from forensic medicine to the age and radiation dose in earth and space science. This book is written primarily for earth scientists as well as for archaeologists and for physicists and chemists interested in new applications of the method. This book can serve as an undergraduate and graduate school textbook on applications of ESR to geological and archaeological dating, radiation dosimetry and microscopic magnetic resonance imaging (MRI). Introduction to ESR and chronology science and principle of ESR dating and dosimetry are described with applications to actual problems according to materials.

The aim of this title is to document the meeting exploring the key challenges in understanding the biological chemistry of metals. State of the art work using advanced physical and computational methods to probe the electronic structure and the reactivity at the active sites of metalloenzymes is discussed. These investigations are truly interdisciplinary and the development and application of physical methods and computational chemistry to biological problems require spectroscopists and theoretical chemists to collaborate with each other and with a wide range of other scientists, notably biochemists and coordination chemists. This is particularity true as spectroscopy and theory typically prove insight into slightly different aspects of reactivity. The book will provide substantial benefits to both experimentalists and theoreticians working in this filed.

Many books and reviews about scanning probe microscopies (SPM) cover the basics of their performance, novel developments, and state-of-the-art applications. Taking a different approach, Hybridizing Surface Probe Microscopies: Towards a Full Description of the Meso- and Nanoworlds encompasses the technical efforts in combining SPM with spectroscopic and optical complementary techniques that, altogether, provide a complete description of nanoscale and mesoscale systems and processes from corrosion to enzymatic reactions. The book is organized into eight chapters, following a general scheme that revolves around the two main capabilities of SPM: imaging and measuring interactions. Each chapter introduces key theoretical concepts and basic equations of the particular stand-alone technique with which the scanning probe microscopies are combined. Chapters end with the SPM-technique combination and some real-world examples in which the combination has been devised or used. Most chapters include a historical review of the techniques and numerous illustrations to support key ideas and provide the reader with intuitive understanding. To understand the limitations of any technique also means to understand how this technique works. This book has devoted a considerable amount of space in explaining the basics of each technique as they are being introduced. At the same time, it avoids explaining the particularities of each SPM-based technique and opts for a rather generalized approach. In short, the book's focus is not on what SPM can do, but rather on what SPM cannot do and, most specifically, on presenting the experimental approaches that circumvent these limitations.

The emerging field of lipidomics has been made possible because of advances in mass spectrometry, and in particular tandem mass spectrometry of lipid ions generated by electrospray ionization. The ability to carry out basic biochemical studies of lipids using electrospray ionization is predicated upon understanding the behaviour of lipid derived ions following collision induced decomposition and mechanisms of product ion formation. During the past 20 years, a wealth of information has been generated about lipid molecules that are now analysed by mass spectrometry, however there is no central source where one can obtain basic information about how these very diverse biomolecules behave following collisional activation. This book brings together, in one volume, this information so that investigators considering using tandem mass spectrometry to structurally characterize lipids or to quantitate their occurrence in a biological matrix, will have a convenient source to review mechanism of decomposition reactions related to the diversity of lipid structures. A separate chapter is devoted to each of seven major lipid classes including fatty acids, eicosanoids and bioactive lipid mediators, fatty acyl esters and amides, glycerol esters, glycerophospholipids, sphingolipids, and steroids. Mechanistic details are provided for understanding the pathways of formation of major product ions and ions used for structural characterization. In most cases specific ancillary information has been critical to understand the pathways, including isotope labeling and high resolution analysis of precursor and product ions. For a few specific examples such data is missing and pathways are proposed as a means to initiate further mass spectral experiments to prove or disprove pathway hypotheses. While this work largely centres on the lipid biochemistry of animal (mammalian) systems, general principles can be taken from the specific examples and applied to lipid biochemistry found in plants, fungi, prokaryotes and archeal organisms.

Covering definitions, concepts, and applications, Countercurrent Chromatography recounts the developments in two types of liquid-liquid chromatography termed countercurrent-high-speed countercurrent chromatography (HSCCC) and centrifugal partition chromatography (CPC)-as well as the HSCCC-derived cross-axis CCC, a versatile technique for purification in biotechnology applications. The text investigates mechanisms for mixing liquid phases, particularly hydrostatic techniques for CPC and hydrodynamic for coil planet centrifuges. It also explores the use of countercurrent chromatography in inorganic analysis, chiral separation, and the separation of natural products.

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

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