Interest in the Turin Shroud continues to the present day even though it was finally carbon dated in 1988 and shown not to be of an age consistent with Christ's burial. Scientifically, the age of the shroud cloth is of little consequence, but to the general public, it is of considerable significance.
The author Harry E. Gove is a co-inventor of accelerator mass spectrometry and was responsible for its use in establishing whether the Turin Shroud could have been Christ's burial cloth. Relic, Icon or Hoax?: Carbon Dating the Turin Shroud presents an eyewitness account of the events that culminated in the final determination of the age of the linen cloth of the Turin Shroud and some of the subsequent reactions to the results. The book discusses the application of accelerator mass spectrometry to the carbon dating of the Turin Shroud using samples only a few square centimeters in area and weighing only a few tens of milligrams.

This book discusses fragmentation mechanisms of molecules under mass spectrometry conditions and the resulting peaks observed in ESI-MS/MS experiments. The underlying principles are used to understand everything from small molecules to biological poly-peptides collision induced dissociation. In a theoretical approach, gas phase reactivity of molecular ions is coupled with chemical dynamics simulations.

Prompt gamma activation analysis (PGAA) is a unique, non-destructive nuclear analytical method with multi-element capabilities. It is most effective if intense neutron beams (especially cold beams) of nuclear reactors are used to induce the prompt gamma radiation. Based largely on the authors' pioneering research in cold neutron PGAA, the handbook describes the methodology in self-contained manner and reviews recent applications. The library of prompt gamma ray data and spectra for all natural elements, also provided on a CD-ROM supplement, is a unique aid to the practitioner. The level is understandable by a broad audience, which facilitates teaching and training.

The Handbook of Prompt Gamma Activation Analysis is a comprehensive handbook written for those practising the method, wanting to implement it at a reactor facility, or just looking for a powerful non-destructive method of element analysis. The book is also useful for nuclear physics, chemistry and engineering scientists, scholars and graduate students interested in neutron-induced gamma ray spectroscopy and nuclear analytical methods.

Here, the authors introduce readers to solving molecular structure elucidation problems using the expert system ACD/Structure Elucidator. They explain in detail the concepts of the Computer-Assisted Structure Elucidation (CASE) approach and point out the crucial role of understanding the axiomatic nature of the data used to deduce the structure. Aspects covered include the main blocks of the expert system and essential features of the mathematical algorithms used. Graduate and PhD students as well as practicing chemists are provided with a detailed explanation of the various practical approaches depending on available spectral data peculiarities and the complexity of the unknown structure. This is supported by a large number of real-world completed examples, most of which are related to the structure elucidation of natural product molecules containing unusual skeletons. Dedicated software and further supplementary material are available at www.acdlabs.com/TeachingSE.

This book offers a compact overview on crystallography, symmetry, and applications of symmetry concepts. The author explains the theory behind scattering and diffraction of electromagnetic radiation. X-ray diffraction on single crystals as well as quantitative evaluation of powder patterns are discussed.

The content of this book describes in detail the results of the present measurements of the partial and total doubly differential cross sections for the multiple-ionization of rare gas atoms by electron impact. These measurements show, beside other trends, the role of Auger transitions in the production of multiply ionized atoms in the region where the incident electron energy is sufficient to produce inner shell ionization. Other processes like Coster-Kronig transitions and shake off also contribute towards increasing the charge of the ions. The incident electron having energy of 6 keV, for example, in a collision with xenon atom can remove up to nine electrons (*) X-ray-ion coincidence spectroscopy of the electron xenon atom collisions is also described.

The present measurements of doubly differential cross sections for the dissociative and non-dissociative ionization of hydrogen, sulfur dioxide and sulfur hexa fluoride molecular gases by electron impact are also described in the text of this book. The results of the measurements for sulfur dioxide molecule show how this major atmospheric pollutant can be removed from the atmosphere by electron impact dissociation of this molecule. The present results of the measurements for sulfur hexa fluoride give an insight into the dissociation properties of this molecular gas, which is being so widely used as a gaseous insulator in the electrical circuits.

The book also describes the present measurements of the polarization parameters of the fluorescence radiation emitted by the electron-impact-excited atoms of sodium and potassium. In these investigations the target atoms are polarized, therefore, the measurements of the polarization parameters give information about the electron atom interaction in terms of the interference, direct and exchange interaction channels.

Lifetime spectroscopy is one of the most sensitive diagnostic tools for the identification and analysis of impurities in semiconductors. Since it is based on the recombination process, it provides insight into precisely those defects that are relevant to semiconductor devices such as solar cells. This book introduces a transparent modeling procedure that allows a detailed theoretical evaluation of the spectroscopic potential of the different lifetime spectroscopic techniques. The various theoretical predictions are verified experimentally with the context of a comprehensive study on different metal impurities. The quality and consistency of the spectroscopic results, as explained here, confirms the excellent performance of lifetime spectroscopy.

E = mc2 and the Periodic Table . . .
RELATIVISTIC EFFECTS IN CHEMISTRY
This century's most famous equation, Einstein's special theory of relativity, transformed our comprehension of the nature of time and matter. Today, making use of the theory in a relativistic analysis of heavy molecules, that is, computing the properties and nature of electrons, is the work of chemists intent on exploring the mysteries of minute particles.
The first work of its kind, Relativistic Effects in Chemistry details the computational and analytical methods used in studying the relativistic effects in chemical bonding as well as the spectroscopic properties of molecules containing very heavy atoms. The first of two independent volumes, Part A: Theory and Techniques describes the basic techniques of relativistic quantum chemistry. Its systematic five-part format begins with a detailed exposition of Einstein's special theory of relativity, the significance of relativity in chemistry, and the nature of relativistic effects, especially with molecules containing both main group atoms and transition metal atoms.
Chapter 3 discusses the fundamentals of relativistic quantum mechanics starting from the Klein-Gordon equation through such advanced constructs as the Breit-Pauli and Dirac multielectron Hamiltonian. Modern computational techniques, of importance with problems involving very heavy molecules, are outlined in Chapter 4. These include the relativistic effective core potentials, ab initio CASSCF, CI, and RCI techniques. Chapter 5 describes relativistic symmetry using the double group symmetry of molecules and the classification of relativistic electronic states and is of special importanceto chemists or spectroscopists interested in computing or analyzing electronic states of molecules containing very heavy atoms.
An exceptional introduction to one of chemistry's foremost analytical techniques, Relativistic Effects in Chemistry is also evidence of the still unending reverberations of Einstein's revolutionary theory.

During the past decade, modern high-performance liquid chromatography (HPLC) utilization has expanded greatly, especially in the quality control of pharmaceutical products in drug quality control laboratories. This book provides an extensive collection of technical information about HPLC-Columns (physicochemical properties and chromatographic characteristics), from various manufacturers, and helps analysts to decide on the ideal approach for their analysis according to the requirements of drug manufacturers specifi cations and the desired Pharmacopeia. In addition, the authors give practical advice on how to prepare mobile phases, choose a suitable detector, and set up an HPLC analysis. This book is comprehensive for the average professional or technician who plans to work with modern HPLC. This book is useful for most Drug Quality Control Laboratories where modern HPLC is utilized. Following a hands-on approach, the book gives key insights into the pharmaceutical applications of HPLC and the latest requirements of the major regulatory agencies such as ICH, FDA, or USP.

The quality and safety of food are crucial for human nutrition. However, evaluating the chemical composition of food is challenging for the analyst and requires powerful methods. Chromatography and mass spectrometry (MS) is the gold standard for analyzing complex food samples, including raw materials and intermediate and finished products. Mass Spectrometry in Food Analysis covers the MS-based analysis of different aspects of food quality, which include nutritional value, profile of macronutrients (proteins, lipids, and carbohydrates), micronutrients (vitamins), and nutraceutical active compounds. Additionally, sensory quality, flavor, food pigments, safety, and detection of pesticides, contact materials, veterinary drugs and pharmaceuticals, organic pollutants, and pathogens are covered. Key Features: Contains the basics of mass spectrometry and experimental strategies Explores determination of macro- and micronutrients Analyzes sensory and nutraceutical food quality Discusses detection of contaminants and proof of authenticity Presents emerging methods for food analysis This book contains an introductory section that explains the basics of MS and the difference between targeted and untargeted strategies for beginners. Further, it points out new analytical challenges, such as monitoring contaminants of emerging concern, and presents innovative techniques (e.g., ambient ionization MS and data mining). Also available in the Food Analysis & Properties Series: Nanoemulsions in Food Technology: Development, Characterization, and Applications, edited by Javed Ahmad and Leo M.L. Nollet (ISBN: 978-0-367-61492-8) Sequencing Technologies in Microbial Food Safety and Quality, edited by Devarajan Thangadurai, Leo M.L. Nollet, Saher Islam, and Jeyabalan Sangeetha (ISBN: 978-0-367-35118-2) Chiral Organic Pollutants: Monitoring and Characterization in Food and the Environment, edited by Edmond Sanganyado, Basil K. Munjanja, and Leo M.L. Nollet (ISBN: 978-0-367-42923-2) For a complete list of books in this series, please visit our website at: www.crcpress.com/Food-Analysis--Properties/book-series/CRCFOODANPRO

When considering the biological significance and industrial and medical applications of biopolymers, it is crucial to know details of their secondary structure, dynamics and assembly. The biopolymers include globular, membrane and fibrous proteins, polypeptides, nucleic acids, polysaccharides and lipids. Solid state NMR spectroscopy has proved to be the most suitable and unrivaled means for investigations of biopolymers. The major advantage of solid state NMR spectroscopy is that the resulting line widths can be manipulated experimentally and are not influenced by motional fluctuation of proteins under consideration as a whole.

Solid State NMR Spectroscopy for Biopolymers: Principles and Applications provides a comprehensive account on how the conformation and dynamics of such biopolymers can be revealed by solid state NMR spectroscopy. Special efforts have been made towards the historical and chronological consequences of a variety of applications and the dynamic aspects of the biopolymer system. In particular, the authors emphasise how important it is to record the most simple DD-MAS (one pulse excitation with high power decoupling) as a mean of locating very flexible portions of membrane proteins and membrane associated peptides. The authors also demonstrate that dynamic features of membrane proteins with a timescale of fast (108 Hz) and intermediate (104 -105 Hz) fluctuation motions can be revealed easily by specific suppression of peaks.

The history of the application of semiconductors for controlling currents goes back all the way to 1926, in which Julius Lilienfeld led a patent for a "Method and apparatus for controlling electric currents" [1], which is considered the rst work on metal/semiconductor eld-effect transistors. More well-known is the work of William Shockley, John Bardeen and Walter Brattain in the 1940s [2, 3], after which the development of semiconductor devices commenced. In 1958, independent work from Jack Kilby and Robert Noyce ledto the invention of integrated circuits. A few milestones in IC design are the rst monolithic operational ampli er in 1963 (Fairchild?A702, Bob Widlar) and the rst o- chip 4-bit microprocessor in 1971 (Intel 4004). Ever since the start of the semiconductor history, integration plays an imp- tant role: starting from single devices, ICs with basic functions were developed (e. g. opamps, logic gates), followed by ICs that integrate larger parts of a s- tem (e. g. microprocessors, radio tuners, audio ampli ers). Following this trend of system integration, this eventually leads to the integration of analog and d- ital components in one chip, resulting in mixed-signal ICs: digital components are required because signal processing is preferably done in the digital - main; analog components are required because physical signals are analog by nature. Mixed-signal ICs are already widespread in many applications (e. g. - dio, video); for the future, it is expected that this trend will continue, leading to a larger scale of integration.

This work is based on experiences acquired by the authors regarding often asked questions and problems during manifold education of beginners in analytical transmission electron microscopy. These experiences are summarised illustratively in this textbook. Explanations based on simple models and hints for the practical work are the focal points. This practically- oriented textbook represents a clear and comprehensible introduction for all persons who want to use a transmission electron microscope in practice but who are not specially qualified electron microscopists up to now.

Since its development toward the end of the past millennium, high-resolution Inelastic X-Ray Scattering (IXS) has substantially improved our knowledge of the collective dynamics of liquids at mesoscopic scales, that is, over distances and time-lapses approaching those typical of first neighboring atoms' interactions. However, despite the undoubted scientific relevance and the rapid evolution toward maturity, comprehensive monographs on this technique are not available. The primary purpose of this book is to partially fill this lack while providing a helpful reference for both mature scientists and less experienced researchers in the field.After a general introduction to the fundamental aspects of scattering measurements, the IXS cross-section is analytically derived, and the complementarity with Inelastic Neutron Scattering is discussed in detail.The remainder of the book reviews representative IXS studies on simple fluids focusing on topics as relevant as the dynamic crossover from the hydrodynamic to the kinetic regime, the onset of relaxation phenomena and related high-frequency viscoelasticity, the gradual emergence of quantum effects, the evidence of dynamic boundaries partitioning the supercritical domain, the prevalence of solid-like aspects in the high-frequency dynamics of fluids, and the dynamic fingerprints of the polymorphic nature of liquid aggregates.

This handbook is a breakthrough in the understanding of the large number of spectral lines in diamond. Data on more than 2000 lines and bands are presented in 200 tables, including many unpublished results.

With a novel organization scheme, the search for a specific line is greatly simplified as a benefit for researchers and students.

In order to meet the interest in the understanding of the spectra, structure assignments for 80 % of the lines are given, of which 15 % only were published before. The majority of the structures for the 300 centers is explained in most cases for the first time.

A key instrument in the interpretation is the analysis by donor-acceptor pair transitions. In a special chapter 95 such centers are listed and discussed, of which only two have been published before, the first one by the present author in 1994.

This book covers the fundamental aspects and the application of electrochemical impedance spectroscopy (EIS), with emphasis on a step-by-step procedure for mechanistic analysis of data. It enables the reader to learn the EIS technique, correctly acquire data from a system of interest, and effectively interpret the same. Detailed illustrations of how to validate the impedance spectra, use equivalent circuit analysis, and identify the reaction mechanism from the impedance spectra are given, supported by derivations and examples. MATLAB (R) programs for generating EIS data under various conditions are provided along with free online video lectures to enable easier learning. Features: Covers experimental details and nuances, data validation method, and two types of analysis - using circuit analogy and mechanistic analysis Details observations such as inductive loops and negative resistances Includes a dedicated chapter on an emerging technique (Nonlinear EIS), including code in the supplementary material illustrating simulations Discusses diffusion, constant phase element, porous electrodes, and films Contains exercise problems, MATLAB codes, PPT slide, and illustrative examples This book is aimed at senior undergraduates and advanced graduates in chemical engineering, analytical chemistry, electrochemistry, and spectroscopy.

In addition to the essential theoretical background and fundamental principles, this unique reference presents a detailed, step-by-step methodology for interpreting even electron mass spectrometry results. Specific chapters are devoted to: proteomics; biomolecule spectral interpretation of small molecules; biomolecule spectral interpretation of biological macromolecules; and MALDI-TOF-Postsource Decay (PSD). Chapters feature detailed examples, questions, and problems to help readers solidify their understanding of the concepts and techniques.

This book offers a compact tutorial on basic concepts and tools in quantum many-body physics, and focuses on the correlation effects produced by mutual interactions. The content is divided into three parts, the first of which introduces readers to perturbation theory. It begins with the simplest examples-hydrogen and oxygen molecules-based on their effective Hamiltonians, and looks into basic properties of electrons in solids from the perspective of localized and itinerant limits. Readers will also learn about basic theoretical methods such as the linear response theory and Green functions. The second part focuses on mean-field theory for itinerant electrons, e.g. the Fermi liquid theory and superconductivity. Coulomb repulsion among electrons is addressed in the context of high-Tc superconductivity in cuprates and iron pnictides. A recent discovery concerning hydride superconductors is also briefly reviewed. In turn, the third part highlights quantum fluctuation effects beyond the mean-field picture. Discussing the dramatic renormalization effect in the Kondo physics, it provides a clear understanding of nonperturbative interaction effects. Further it introduces readers to fractionally charged quasi-particles in one and two dimensions. The last chapter addresses the dynamical mean field theory (DMFT). The book is based on the author's long years of experience as a lecturer and researcher. It also includes reviews of recent focus topics in condensed matter physics, enabling readers to not only grasp conventional condensed matter theories but also to catch up on the latest developments in the field.

Elemental Analysis is an excellent guide introducing cutting-edge methods for the qualitative and quantitative analysis of elements. Each chapter of the book gives an overview of a certain technique, such as AAS, AFS, ICP-OES, MIP-OES, ICP-MS and XRF. Readers will benefit from a balanced combination of theoretical basics, operational principles of instruments and their practical applications.

In this book, density functional theory (DFT) is introduced within the overall context of quantum chemistry. DFT has become the most frequently used theory in quantum chemistry calculations. However, thus far, there has been no book on the fundamentals of DFT that uses the terminology and methodology of quantum chemistry, which is familiar to many chemists, including experimentalists. This book first reviews the basic concepts and historical background of quantum chemistry and then explains those of DFT, showing how the latter fits into the bigger picture. Recent interesting topics of DFT in chemistry are also targeted. In particular, the physical meanings of state-of-the-art exchange-correlation functionals and their corrections are described in detail. Owing to its unconventionality, this book is certain to be of great interest not only to chemists but also to solid state physicists.

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 book presents a self-contained derivation of van der Waals and Casimir type dispersion forces, covering the interactions between two atoms but also between microscopic, mesoscopic, and macroscopic objects of various shapes and materials. It also presents detailed and general prescriptions for finding the normal modes and the interactions in layered systems of planar, spherical and cylindrical types, with two-dimensional sheets, such as graphene incorporated in the formalism. A detailed derivation of the van der Waals force and Casimir-Polder force between two polarizable atoms serves as the starting point for the discussion of forces: Dispersion forces, of van der Waals and Casimir type, act on bodies of all size, from atoms up to macroscopic objects. The smaller the object the more these forces dominate and as a result they play a key role in modern nanotechnology through effects such as stiction. They show up in almost all fields of science, including physics, chemistry, biology, medicine, and even cosmology. Written by a condensed matter physicist in the language of condensed matter physics, the book shows readers how to obtain the electromagnetic normal modes, which for metallic systems, is especially useful in the field of plasmonics.

This book provides an overview of the application of IR spectroscopy in mineralogical investigations, as well as modern trends in the IR spectroscopy of minerals. It includes the most important methodological aspects; characteristic IR bands of different chemical groups and coordination polyhedra; application of IR spectroscopy to the investigation of the crystal chemistry of amphiboles, phyllosilicates, tourmalines etc.; neutral molecules entrapped by microporous minerals; and analysis of hydrogen in nominally anhydrous minerals. About 1600 IR spectra (illustrations as well as a list of wavenumbers) of minerals and some related compounds are accompanied by detailed descriptions of the standard samples used. Each spectrum provides information about the occurrence, appearance, associated minerals, its empirical formula, and unit-cell parameters. The book also provides insights into sample preparation and/or spectrum registration methods. It includes IR spectra of 1020 minerals that were not covered in the book "Infrared spectra of mineral species: Extended library" published in 2014 and written by one of the authors. On average, each page provides information on two minerals/compounds. Subsections correspond to different classes of compounds (silicates, phosphates, arsenates, oxides etc.). About 290 new spectra have been obtained, and the remaining 1310 spectra are taken from most reliable literature sources (published over the last 60 years) and are redrawn in a unified style.