Chemometrics in Spectroscopy, Second Edition, provides the reader with the methodology crucial to apply chemometrics to real world data. It allows scientists using spectroscopic instruments to find explanations and solutions to their problems when they are confronted with unexpected and unexplained results. Unlike other books on these topics, it explains the root causes of the phenomena that lead to these results. While books on NIR spectroscopy sometimes cover basic chemometrics, they do not mention many of the advanced topics this book discusses. In addition, traditional chemometrics books do not cover spectroscopy to the point of understanding the basis for the underlying phenomena. The second edition has been expanded with 50% more content covering advances in the field that have occurred in the last 10 years, including calibration transfer, units of measure in spectroscopy, principal components, clinical data reporting, classical least squares, regression models, spectral transfer, and more.

Principles and Applications of Clinical Mass Spectrometry: Small Molecules, Peptides, and Pathogens is a concise resource for quick implementation of mass spectrometry methods in clinical laboratory work. Focusing on the practical use of these techniques, the first half of the book covers principles of chromatographic separations, principles and types of mass spectrometers, and sample preparation for analysis; the second half outlines the main applications of this technology within clinical laboratory settings, including determination of small molecules and peptides, as well as pathogen identification. A thorough yet succinct guide to using mass spectrometry technology in the clinical laboratory, Principles and Applications of Clinical Mass Spectrometry: Small Molecules, Peptides, and Pathogens is an essential resource for chemists, pharmaceutical and biotech researchers, certain government agencies, and standardization groups.

This book focuses on the topological fermion condensation quantum phase transition (FCQPT), a phenomenon that reveals the complex behavior of all strongly correlated Fermi systems, such as heavy fermion metals, quantum spin liquids, quasicrystals, and two-dimensional systems, considering these as a new state of matter. The book combines theoretical evaluations with arguments based on experimental grounds demonstrating that the entirety of very different strongly correlated Fermi systems demonstrates a universal behavior induced by FCQPT. In contrast to the conventional quantum phase transition, whose physics in the quantum critical region are dominated by thermal or quantum fluctuations and characterized by the absence of quasiparticles, the physics of a Fermi system near FCQPT are controlled by a system of quasiparticles resembling the Landau quasiparticles. The book discusses the modification of strongly correlated systems under the action of FCQPT, representing the "missing" instability, which paves the way for developing an entirely new approach to condensed matter theory; and presents this physics as a new method for studying many-body objects. Based on the authors' own theoretical investigations, as well as salient theoretical and experimental studies conducted by others, the book is well suited for both students and researchers in the field of condensed matter physics.

This book presents fundamental experimental data and experiment-based theoretical conclusions on, as well as physico-chemical models of, the natural hydrothermal, metasomatic, metamorphic, magmatic and ore-producing processes in the Earth's crust, upper mantle, transition zone and lower mantle. The topics discussed concern the interactions of oil and aqueous fluids as revealed by aqueous-hydrocarbonic inclusions in synthetic quartz and applied to the natural evolution of oil; determining the solubility and inter-phase partitioning of trace and strategic elements and their components; and experimentally validating physico-chemical mechanisms in the ultrabasic-basic evolution of deep-mantle magmatic and diamond-forming systems. In addition, the book presents experimental studies on the physico-chemical properties of supercritical water and hydrothermal fluids, viscosity of acidic ultramafic magmatic materials melts, peculiarities of metamorphism in basic rocks, kinetics of mineral nucleation in silicate melts and hydrothermal solutions, and influence of complex H2O-CO2-HCl fluids on melting relations in mantle-crust rocks, together with novel results and conclusions. Given its scope, the book will be of great interest to all Earth scientists, lecturers and students specialized in experimental and genetic mineralogy, petrology and geochemistry.

This book aims to give state of the art in several domains of cultural heritage in which Nanosciences allow fundamental breakthrough. The first part of the book concerns nanostructured materials in ancient artifacts. Understanding their nature and formation processes bring new insight in the apprehension of technical level of ancient societies but can also inspire the design of new materials. The second part is dedicated to the understanding of materials. This crucial issue in material science today, for cultural heritage, needs to perform specific characterization techniques and technologies, but also to create tailored analytical strategies. Part three presents new methods, processes and materials at nano levels that can bring innovative solutions to conservation and restoration issues, linked with the understanding of the alteration processes involved at different scales.

Over-pumping of aquifers is a worldwide problem, mainly caused by agricultural water use. Among its consequences are the falling dry of streams and wetlands, soil subsidence, die-off of phreatophytic vegetation, saline water intrusion, increased pumping cost and loss of storage needed for drought relief. Stopping or reversing the trend requires management interventions. The North China Plain serves as an example. A management system is set up for a typical county. It contains three components: monitoring, decision support based on modelling, and implementation in the field. Besides all monitoring data, the decision support module contains an irrigation calculator, a box model, and a distributed groundwater model to project the outcomes of different water allocation scenarios. In view of grain security, a solution combines an adaptation of the cropping system with imports of surface water from the South. The Open Access book does not only describe the problem and the path to its solution. It also gives access to nine manuals concerning methods used. They include computer programs and the game Save the Water. The Chinese experience should be of considerable interest to other regions in the world which suffer from over-pumping of aquifers.

This updated and revised edition of a classic work provides a summary of methods for numerical computation of high resolution conventional and scanning transmission electron microscope images. At the limits of resolution, image artifacts due to the instrument and the specimen interaction can complicate image interpretation. Image calculations can help the user to interpret and understand high resolution information in recorded electron micrographs. The book contains expanded sections on aberration correction, including a detailed discussion of higher order (multipole) aberrations and their effect on high resolution imaging, new imaging modes such as ABF (annular bright field), and the latest developments in parallel processing using GPUs (graphic processing units), as well as updated references. Beginning and experienced users at the advanced undergraduate or graduate level will find the book to be a unique and essential guide to the theory and methods of computation in electron microscopy.

Although originally invented and employed by physicists, electron paramagnetic resonance (EPR) spectroscopy has proven to be a very efficient technique for studying a wide range of phenomena in many fields, such as chemistry, biochemistry, geology, archaeology, medicine, biotechnology, and environmental sciences. Acknowledging that not all studies require the same level of understanding of this technique, this book thus provides a practical treatise clearly oriented toward applications, which should be useful to students and researchers of various levels and disciplines. In this book, the principles of continuous wave EPR spectroscopy are progressively, but rigorously, introduced, with emphasis on interpretation of the collected spectra. Each chapter is followed by a section highlighting important points for applications, together with exercises solved at the end of the book. A glossary defines the main terms used in the book, and particular topics, whose knowledge is not required for understanding the main text, are developed in appendices for more inquisitive readers.

This book offers a complete and well-organized review of the latest advances made in developing ultra-weak chemiluminescence techniques for analytical applications. It systematically introduces the current theories, mechanisms, instruments, technologies, and real applications of ultra-weak chemiluminescence. Compared to books devoted to the normal chemiluminescence and bioluminescence, this book covers a wide range of ultra-weak chemiluminescence based on inorganic chemical reactions and nanotechnology from a principle and practical point of view. This book is intended for readers who are interested in expanding their knowledge of chemiluminescence and employing ultra-weak chemiluminescence techniques to develop new detection methods for analytical applications.

Modern Vibrational Spectroscopy and Micro-Spectroscopy: Theory, Instrumentation and Biomedical Applications unites the theory and background of conventional vibrational spectroscopy with the principles of microspectroscopy. It starts with basic theory as it applies to small molecules and then expands it to include the large biomolecules which are the main topic of the book with an emphasis on practical experiments, results analysis and medical and diagnostic applications. This book is unique in that it addresses both the parent spectroscopy and the microspectroscopic aspects in one volume. Part I covers the basic theory, principles and instrumentation of classical vibrational, infrared and Raman spectroscopy. It is aimed at researchers with a background in chemistry and physics, and is presented at the level suitable for first year graduate students. The latter half of Part I is devoted to more novel subjects in vibrational spectroscopy, such as resonance and non-linear Raman effects, vibrational optical activity, time resolved spectroscopy and computational methods. Thus, Part 1 represents a short course into modern vibrational spectroscopy. Part II is devoted in its entirety to applications of vibrational spectroscopic techniques to biophysical and bio-structural research, and the more recent extension of vibrational spectroscopy to microscopic data acquisition. Vibrational microscopy (or microspectroscopy) has opened entirely new avenues toward applications in the biomedical sciences, and has created new research fields collectively referred to as Spectral Cytopathology (SCP) and Spectral Histopathology (SHP). In order to fully exploit the information contained in the micro-spectral datasets, methods of multivariate analysis need to be employed. These methods, along with representative results of both SCP and SHP are presented and discussed in detail in Part II.

This handbook is one of three containing an invaluable collection of research grade XPS spectra. Each handbook concentrates on a specific family of materials (the elements and their native oxides, semiconductors, and polymers) and is entirely self-contained. The introductory section to each handbook includes comprehensive information about the XPS instruments used, the materials, and the advanced methods of collecting the spectra. Energy resolution settings, instrument characteristics, energy referencing methods, traceability, energy scale calibration details and transmission function are all reported. Among the many valuable features included in each of these handbooks are:
* All spectra were measured by using Al_K monochromatic X-rays.
* All spectra were collected in a self-consistent manner to maximize data reliability and quality.
* All peaks in the wide spectra are fully annotated and accompanied by detailed atom % tables that report BEs for each of the labelled peaks.
* Each high-energy resolution spectrum is peak-fitted and accompanied by detailed tables containing binding energies, FWHMs and relative percentages.
In this volume, The Elements and Native Oxides, are contained XPS spectra of the elements and real-world practical grade spectra of their native oxides. Exclusive features of this volume include:
* Binding energies for pure elements that are accurate to +/- 0.06 eV
* Alphabetical organization based on commonplace chemical abbreviations
* Charge compensation with patented flood-gun-mesh-screen system
* C (1s) binding energies for adventitious hydrocarbons revealing that the BE ranges from 284.2 to 286.3 eV
* Valence band spectrafrom the elements.
This handbook is an invaluable reference for scientists in industry, academia and government laboratories that use XPS spectra in materials science and surface science. Also available: Handbook of Monochromatic XPS Spectra: Polymers and Polymers Damaged by X-rays Handbook of Monochromatic XPS Spectra: Semiconductors

This book provides an introduction to fundamental concepts of solid mechanics for the uninitiated. It also includes a concise review of fundamentals for those who have been away from the field for a time or are studying for a final exam or engineering license exam. The coverage ranges from fundamental definitions through constitutive equations, axial loading, torsion, bending, thermal effects, stability, pressure vessels, plates and shells, computational mechanics, and fibrous composite materials.

This thesis reports a rare combination of experiment and theory on the role of geometry in materials science. It is built on two significant findings: that curvature can be used to guide crack paths in a predictive way, and that protected topological order can exist in amorphous materials. In each, the underlying geometry controls the elastic behavior of quasi-2D materials, enabling the control of crack propagation in elastic sheets and the control of unidirectional waves traveling at the boundary of metamaterials. The thesis examines the consequences of this geometric control in a range of materials spanning many orders of magnitude in length scale, from amorphous macroscopic networks and elastic continua to nanoscale lattices.

This second edition provides a cutting-edge overview of physical, technical and scientific aspects related to the widely used analytical method of confocal Raman microscopy. The book includes expanded background information and adds insights into how confocal Raman microscopy, especially 3D Raman imaging, can be integrated with other methods to produce a variety of correlative microscopy combinations. The benefits are then demonstrated and supported by numerous examples from the fields of materials science, 2D materials, the life sciences, pharmaceutical research and development, as well as the geosciences.

Solid-State NMR Characterization of Heterogeneous Catalysts and Catalytic Reactions provides a comprehensive account of state-of-the-art solid-state NMR techniques and the application of these techniques in heterogeneous catalysts and related catalytic reactions. It includes an introduction to the basic theory of solid-state NMR and various frequently used techniques. Special emphasis is placed on characterizing the framework and pore structure, active site, guest-host interaction, and synthesis mechanisms of heterogeneous catalysts using multinuclear one- and two-dimensional solid-sate NMR spectroscopy. Additionally, various in-situ solid-state NMR techniques and their applications in investigation of the mechanism of industrially important catalytic reactions are also discussed. Both the fundamentals and the latest research results are covered, making the book suitable as a reference guide for both experienced researchers in and newcomers to this field. Feng Deng is a Professor at Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences.

This book highlights the power and elegance of algebraic methods of solving problems in quantum mechanics. It shows that symmetries not only provide elegant solutions to problems that can be solved exactly, but also substantially simplify problems that must be solved approximately. Furthermore, the book provides an elementary exposition of quantum electrodynamics and its application to low-energy physics, along with a thorough analysis of the role of relativistic, magnetic, and quantum electrodynamic effects in atomic spectroscopy. Included are essential derivations made clear through detailed, transparent calculations. The book's commitment to deriving advanced results with elementary techniques, as well as its inclusion of exercises will enamor it to advanced undergraduate and graduate students.

Nanomaterials in Chromatography: Current Trends in Chromatographic Research Technology and Techniques provides recent advancements in the wide variety of chromatographic techniques applied to nanotechnology. As nanomaterials' unique properties can improve detection sensitivity and miniaturize the devices used in analytical procedures, they can substantially affect the evaluation and analysis ability of scientists and researchers and foster exciting developments in separation science. The book includes chapters on such crucial topics as the use of nanomaterials in sample preparation and the legalization of nanomaterials, along with a section on reducing the cost of the analysis process, both in terms of chemicals and time consumption.

Chiral Analysis: Advances in Spectroscopy, Chromatography and Emerging Methods, Second Edition covers an important area of analytical chemistry of relevance to a wide variety of scientific professionals, including chemistry graduate students, analytical chemists, organic chemists, professionals in the pharmaceutical industry, and others with an interest in chirality and chiral analysis. This thoroughly revised second edition covers several new, important areas of chiral analysis that have emerged since the first edition. Three of the new methods provide higher sensitivity than can be realized with the current methods and are expected to become mainstream applications: cavity based methods offer vastly higher sensitivity than conventional polarimetric methods, microwave chiral detection provides unsurpassed sensitivity for identifying diastereomers, and the rotating electric field method offers a competing new approach for the separation of enantiomers. Another topic, chirality in extraterrestrial life, has not been discussed in any other book and is important for understanding the origin of life.

This book features the essential material for any graduate or advanced undergraduate course covering solid-state electrochemistry. It provides the reader with fundamental course notes and numerous solved exercises, making it an invaluable guide and compendium for students of the subject. The book places particular emphasis on enhancing the reader's expertise and comprehension of thermodynamics, the Kroeger-Vink notation, the variation in stoichiometry in ionic compounds, and of the different types of electrochemical measurements together with their technological applications. Containing almost 100 illustrations, a glossary and a bibliography, the book is particularly useful for Master and PhD students, industry engineers, university instructors, and researchers working with inorganic solids in general.

Detection of Drugs and Their Metabolites in Oral Fluid presents the analytical chemistry methods used for the detection and quantification of drugs and their metabolites in human oral fluid. The authors summarize the state of the science, including its strengths, weaknesses, unmet methodological needs, and cutting-edge trends. This volume covers the salient aspects of oral fluid drug testing, including specimen collection and handling, initial testing, point of collection testing (POCT), specimen validity testing (SVT), and confirmatory and proficiency testing. Analytes discussed include amphetamines, cannabinoids, cocaine, opiates, phencyclidine, cannabimimetics, and miscellaneous drugs. This practical guide helps users turn knowledge into practice, moving logically from an outline of the problem, to the evaluation of the appropriateness of oral fluid as a test medium, and finally to a consideration of detection methods and their validation and employment.

This book presents experimental studies on emergent transport and magneto-optical properties in three-dimensional topological insulators with two-dimensional Dirac fermions on their surfaces. Designing magnetic heterostructures utilizing a cutting-edge growth technique (molecular beam epitaxy) stabilizes and manifests new quantization phenomena, as confirmed by low-temperature electrical transport and time-domain terahertz magneto-optical measurements. Starting with a review of the theoretical background and recent experimental advances in topological insulators in terms of a novel magneto-electric coupling, the author subsequently explores their magnetic quantum properties and reveals topological phase transitions between quantum anomalous Hall insulator and trivial insulator phases; a new topological phase (the axion insulator); and a half-integer quantum Hall state associated with the quantum parity anomaly. Furthermore, the author shows how these quantum phases can be significantly stabilized via magnetic modulation doping and proximity coupling with a normal ferromagnetic insulator. These findings provide a basis for future technologies such as ultra-low energy consumption electronic devices and fault-tolerant topological quantum computers.

This book provides an interesting snapshot of recent advances in the field of single molecule nanosensing. The ability to sense single molecules, and to precisely monitor and control their motion is crucial to build a microscopic understanding of key processes in nature, from protein folding to chemical reactions. Recently a range of new techniques have been developed that allow single molecule sensing and control without the use of fluorescent labels. This volume provides an overview of recent advances that take advantage of micro- and nanoscale sensing technologies and provide the prospect for rapid future progress. The book endeavors to provide basic introductions to key techniques, recent research highlights, and an outlook on big challenges in the field and where it will go in future. It is a valuable contribution to the field of single molecule nanosensing and it will be of great interest to graduates and researchers working in this topic.

This thesis extends our understanding of systems of independent electrons by developing a generalization of Bloch's Theorem which is applicable whenever translational symmetry is broken solely due to arbitrary boundary conditions. The thesis begins with a historical overview of topological condensed matter physics, placing the work in context, before introducing the generalized form of Bloch's Theorem. A cornerstone of electronic band structure and transport theory in crystalline matter, Bloch's Theorem is generalized via a reformulation of the diagonalization problem in terms of corner-modified block-Toeplitz matrices and, physically, by allowing the crystal momentum to take complex values. This formulation provides exact expressions for all the energy eigenvalues and eigenstates of the single-particle Hamiltonian. By precisely capturing the interplay between bulk and boundary properties, this affords an exact analysis of several prototypical models relevant to symmetry-protected topological phases of matter, including a characterization of zero-energy localized boundary excitations in both topological insulators and superconductors. Notably, in combination with suitable matrix factorization techniques, the generalized Bloch Hamiltonian is also shown to provide a natural starting point for a unified derivation of bulk-boundary correspondence for all symmetry classes in one dimension.

New trends in solid-phase extraction for analytical use—a practical introduction.

Owing to its low cost, ease of use, and nonpolluting means of preparing samples for analysis, solid-phase extraction (SPE) is fast overtaking traditional liquid—liquid methods in clinical, pharmaceutical, agricultural, and industrial applications. This book describes what analytical scientists and technicians need to know about this emerging procedure: how it works, how to choose from available techniques, how to utilize it effectively in the laboratory. Along with the historical perspective and fundamental principles, this practical book reviews the latest literature on solid-phase materials, equipment, and applications—including EPA-endorsed techniques. Special features include:

• Coverage of separation and uptake methods.
• Promising developments in the use of membrane disks.
• The advantages of using polymeric resins over silica materials.
• Mechanism and use of ion-exchange materials for SPE.
• A remarkably complete chapter on the extraction of metal ions.
• Groundbreaking research in the miniaturized SPE technique.

SOLID-PHASE MICROEXTRACTION Theory and Practice Janusz Pawliszyn 1997 (0-471-19034-9) 264 pp.