Reflecting the myriad changes and advancements in the technologies involved in FTIR, particularly the development of diamond ATRs, this second edition of Fundamentals of Fourier Transform Infrared Spectroscopy has been extensively rewritten and expanded to include new topics and figures as well as updates of existing chapters. Designed for those new to FTIR, but with enough reference material to appeal to journeyman and expert spectroscopists, this book does not demand any extensive familiarity with chemistry or physics. Specializing in concise and comprehensible explanations of FTIR topics, the author introduces the field of infrared spectroscopy, including the strengths and weaknesses of FTIR as a chemical analysis technique. He then describes the instrument itself and explores topics such as how an interferometer generates a spectrum, optimization of spectral quality, and which tests are used to monitor instrument health. The book discusses how to properly use spectral processing to increase the information of a spectrum without damaging the data and takes considerable care in instructing on sample preparation, as good sample preparation constitutes half the battle in extracting good data. The final chapters examine single analyte quantitative analysis and conclude with an overview of infrared microscopy. Drawing on the experience and knowledge of the author as both a professor and practitioner, Fundamentals of Fourier Transform Infrared Spectroscopy offers up-to-date information given in clear, easily understood language to appeal to beginner and expert spectroscopists alike. The author maintains a website and blog with supplemental material. His training course schedule is also available online.

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.

The significance of the development of solid-state lighting was underscored by the award of a Nobel Prize in 2014. It is important to build upon this work and to produce practical and versatile sources of quantum light, because these are essential components for the advancement of quantum photonic devices. These devices, in turn, promise new technologies that have the potential to revolutionize society. This book explores various ways of coupling quantum light into, and out of, solid-state emitters. The research presented here has led to important discoveries that will help overcome major challenges in this field.

This book presents a comprehensive overview of the modern theory of spectral line broadening and shifting by pressure of atmospheric gases. It describes current semi-classical methods for calculating vibrotational line widths and shifts, including very recent modifications and new developments realised by the authors themselves. For most of the considered molecular systems, analytical formulae are also given, which enable the calculation of line broadening coefficients without the use of semi-classical methods. The results of calculations by various approaches are compared with experimental data available in the literature. Numerous appendices list theoretical expressions and parameters' values required for the writing of computer programs for calculation of line broadening and line shifting coefficients.The book is addressed to undergraduate and postgraduate students as well as to professional scientists and researchers working in the field of molecular physics, molecular spectroscopy, quantum chemistry and mathematical physics.

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.

Protein phosphorylation analysis is a central theme in current analytical biochemistry, cell biology and systems biology. Due to its versatility, specificity and sensitivity, mass spectrometry has developed into a key technology in this field. A set of minor and major instrumental innovations mean that mass spectrometers now exhibit a level of performance, a stability of operation, a relative ease of use, and productivity, which would once have been hard to imagine. This book guides the reader through this prolific field by presenting a collection of personal views and selected examples which cover all the important principles with a focus on electrospray ionization mass spectrometry. It covers: phosphorylation analysis at the peptide, protein and proteome level; manual and automated data evaluation; phosphopeptide enrichment; quantitative aspects; element mass spectrometry; individual analytical strategies, and hints to useful internet resources. This book provides students, graduate students, post-Docs and senior scientists from related areas with a better understanding on molecular protein phosphorylation analysis. Its highest aim is to strengthen the reader's ability to develop a personal, well-founded opinion on original manuscripts published in this field.

This book is the most comprehensive recent publication on MIPs, consisting of 13 chapters, primarily involving the fundamentals, the instrumentation, and the methodologies of MIP-OES. The physical and chemical characteristics of the various MIP sources and sample introduction techniques available are all discussed as well as how these characteristics affect the design of the parts of the MIP setup with inclusion of some very recent work with MIP sources. Considerable experimental and fundamental emphasis is placed on the plasma generation as well as the experimental aspects of sample introduction in MIP spectrometry. The book firstly outlines the generation and operation of MIP discharges, and presents briefly the principles of MIP-based techniques currently in use, along with their potential benefits and limitations. It then addresses the art and science of microwave plasma generation and highlights very recent advances in the field, presenting both the fundamental properties and the design details of new microwave plasma sources. Analytical characteristics and novel applications of MIP-OES for a wide variety of sample types are also reviewed. As the book documents the latest achievements in MIP spectrometry, it should stimulate their use on a wider scale in the analytical and research laboratories and will prove useful to manufacturers of analytical instruments. This book is also aimed at academics and postgraduates embarking on work in the field of MIP source spectrometry, ICP/MIP users, analysts and research groups who want to configure their own plasma spectrometry setup, and manufacturers of plasma spectrometers and MIP devices. It will also be a useful source of information for those seeking to interface various sample introduction techniques with plasmas and for all those who would like to know more about the technique.

Mass spectrometry has developed into a platform for the assessment of health, sensory, quality and safety aspects of food. Current nutrition research focuses on unravelling the link between acute or chronic dietary and nutrient intake and the physiological effects at cellular, tissue and whole body level. The bioavailability and bioefficacy of food constituents and dose-effect correlations are key to understanding the impact of food on defined health outcomes. To generate this information, appropriate analytical tools are required to identify and quantify minute amounts of individual compounds in highly complex matrices (such as food or biological fluids) and to monitor molecular changes in the body in a highly specific and sensitive manner. Mass spectrometry has become the method of choice for such work and now has broad applications throughout all areas of nutrition research. This book focuses the contribution of mass spectrometry to the advancement of nutrition research. Aimed at students, teachers and researchers, it provides a link between nutrition and analytical biochemistry. It guides nutritionists to the appropriate techniques for their work and introduces analytical biochemists to new fields of application in nutrition and health. The first part of the book is dedicated to the assessment of macro- and micro-nutrient status with a view to making dietary recommendations for the treatment of diet-related diseases. The second part shows how mass spectrometry has changed nutrition research in fields like energy metabolism, body composition, protein turnover, immune modulation and cardiovascular health.

Photoemission spectroscopy is one of the most extensively used methods to study the electronic structure of atoms, molecules, and solids and their surfaces. This volume introduces and surveys the field at highest energy and momentum resolutions allowing for a new range of applications, in particular for studies of high temperature superconductors.

In view of the rapid growth in both experimental and theoretical studies of multi-photon processes and multi-photon spectroscopy of atoms, ions, and molecules in chemistry, physics, biology and materials science, it is timely to publish an advanced series that contains review papers readable not only by active researchers in these areas, but also by those who are non-experts but who wish to enter the field. This present volume attempts to serve this purpose. Each chapter is written in a self-contained manner by experts in their own area of expertise so that general readers can grasp the knowledge in that area without too much preparation.

This text offers an open-learning approach to Raman spectroscopy providing detail on instrumentation, applications and discussions questions throughout the book. It provides a valuable guide to assist with teaching Raman spectroscopy which is gaining attention in (analytical) chemistry, and as a consequence, teaching programs have followed. Today, education in Raman spectroscopy is often limited to theoretical aspects (e.g. selection rules), but practical aspects are usually disregarded. With these course notes, the author hopes to fill this gap and include information about Raman instrumentation and how it is interpreted. * Provides a user-friendly text that tackles the theoretical background, and offers everyday tips for common practice * Raman instrumentation and practical aspects, which are sometimes overlooked, are covered * Appropriate for students, and includes summaries, text boxes, illustrating the ideas with examples from research literature or providing background information or links with other courses * Written with an open-learning approach, this book will be ideal for use as a self-study guide or as the basis of a taught course with discussion and self-assessment questions throughout the text * Includes a comprehensive bibliography to guide the reader to more specialized texts and sources.

A blend of theory and practical advice, Modern NMR Techniques for Synthetic Chemistry illustrates how NMR spectroscopy can be used to determine the abundance, size, shape, and function of organic molecules. It provides you with a description the NMR technique used (more pictorial than mathematical), indicating the most common pulse sequences, some practical information as appropriate, followed by illustrative examples. This format is followed for each chapter so you can skip the more theoretical details if the practical aspects are what interest you. Following a discussion of basic parameters, the book describes the utility of NMR in detecting and quantifying dynamic processes, with particular emphasis on the usefulness of saturation-transfer (STD) techniques. It details pulsed-field gradient approaches to diffusion measurement, diffusion models, and approaches to 'inorganic' nuclei detection, important as many synthetic pathways to new organics involve heavier elements. The text concludes with coverage of applications of NMR to the analysis of complex mixtures, natural products, carbohydrates, and nucleic acids-all areas of activity for researchers working at the chemistry-life sciences interface. The book's unique format provides some theoretical insight into the NMR technique used, indicating the most common pulse sequences. The book draws upon several NMR methods that are resurging or currently hot in the field and indicates the specific pulse sequence used by various spectrometer manufacturers for each technique. It examines the analysis of complex mixtures, a feature not found in most books on this topic.

This concise and carefully developed text offers a reader friendly guide to the basics of time-resolved spectroscopy with an emphasis on experimental implementation. The authors carefully explain and relate for the reader how measurements are connected to the core physical principles. They use the time-dependent wave packet as a building block for understanding quantum dynamics, progressively advancing to more complex topics. The topics are discussed in paired sections, one discussing the theory and the next presenting the related experimental methods. A wide range of readers including students and newcomers to the field will gain a clear and practical understanding of how to measure aspects of molecular dynamics such as wave packet motion, intramolecular vibrational relaxation, and electron-electron coupling, and how to describe such measurements mathematically.

This volume, which addresses various basic sensor principles, covers micro gravimetric sensors, semiconducting and nano tube sensors, calorimetric sensors and optical sensors. Furthermore, the authors discuss recent developments in the related sensitive layers including new properties of nano structured metal oxide layers. They provide in-depth insights into the unique chemistry and signal generation of copper oxide in percolating sensors and present a variety of applications of functional polymers made possible by proper imprinting.

Highlights of the subjects covered include:

requirements for high-temperature sensors

carbon nano tube sensors

new sensing model for nanostructured In2O3

bio mimetic approach for semiconductor sensor-based systems

optical readout for inorganic and organic semiconductor sensors

concept of virtual multisensors to improve specificity and selectivity

calorimetric sensors for hydrogen peroxide detection

percolation effect-based sensors to implement dosimeters

imprinted polymer layers for bulk and surface acoustic wave sensors"

This book addresses the development of electronic devices using redox-active organic molecules and their porous coordination networks (PCNs), and highlights the importance of the molecular arrangement. Redox-active organic molecules hold considerable promise as flexible electronic elements, because their electronic state can easily be controlled using external energy. Although various kinds of redox-active organic molecules have been synthesized, attempts to apply them to electronic devices have been limited, owing to the lack of proper structural design. Moreover, ligand-based redox-active PCNs remain largely unexplored because of the limited availability of redox-active ligands. In addition to developing new redox-active organic molecules, in order to design electronic devices based on these molecules/PCNs, it is essential to understand the connections between their molecular arrangement, electrical properties, and redox activity. In this thesis, the redox-active organic molecule 2,5,8-tri(4-pyridyl)1,3-diazaphenalene (TPDAP), which features a large pi plane and multi-intermolecular interactivity, is used to develop a resistive switching memory device. In addition, its PCNs are synthesized to fabricate chemiresistive sensors, and the electrical properties are modulated using post-synthetic modification. Each mechanism is systematically investigated by means of structural determination and well-defined control experiments. Subsequently, the book proposes general guidelines for designing electronic devices using redox-active organic molecules. The book will appeal to a broad range of readers, from basic scientists to materials engineers, as well as general, non-expert readers.

The 9/11 attack on US soil has inadvertently heightened the need for preparation for other potential means of terrorist attack. In particular, both biological and chemical warfare have been at the top of the priority list for most governmental agencies as these reagents can be covertly prepared and disseminated to result in both widespread fear and casualty. Among many others, one primary preventive step in preparing for the above attacks is to establish a network for efficient surveillance and rapid detection such that an appropriate response to such attacks can be timely and effective. Over the years, primarily due to technological advances, both chemical and biological agents that are able to inflict mass destructions are becoming more diverse and complex. Subsequently, improvement of sensing devices for rapid and sensitive detection should also be made to keep pace with these engineered or emerging threat agents. Of particular interest, the ability to encompass advances in micro and nanofabrication techniques to enable sensing devices are especially of interest as they have been shown to offer desired advantages such as improved and enhanced functionality, increased efficiency and speed in their readout, reduction in their fabrication cost, and also reduced reagent consumption. Numerous innovative and exciting reports which took advantage of these techniques for both chemical and biological sensing have appeared over the last decade. This unique book is the only current publication that provides readers with a brief, yet concise, collection of the latest advances in chemical and biological agent detection and/or their surveillance. It compiles and gives in-depth detail on several detection schemes so that the reader can be provided with a general sense of these micro and nanoscale sensing systems and platforms. The book covers both well established and "next-generation" micro- and nano-scale sensors and/or sensing platforms. Sensors or sensing platforms covered range from the novel utilization of nanotubes, cantilevers, nano and/or microsized pores, engineered whole cell, to polymeric transistors for sensing purposes. As a result of these advances there has been a synergistic marriage of a myriad of techniques, ranging from chemical, engineering and biological, for the development of sensors, which was once traditionally thought to be reserved for the immunologists. The enabling of these new technologies will result in a much improved sensing network for the detection and surveillance of both chemical and biological warfare agents.The book also contains chapters from leading experts in the field of chemical and biological sensing platforms and will be invaluable reading for anybody in this field.

The book provides an up-to-date account of inductively coupled plasmas and their use in atomic emission spectroscopy and mass spectrometry. Specific applications of the use of these techniques are highlighted including applications in environmental, food and industrial analysis. It is written in a distance learning / open learning style; suitable for self study applications. It contains contain self-assessment and discussion questions, worked examples and case studies that allow the reader to test their understanding of the presented material.

This book surveys recent advances related to the application of single molecule techniques in various fields of science. The topics, each described by leading experts in the field, range from single molecule experiments in quantum optics and solid-state physics to analogous investigations in physical chemistry and biophysics. A unifying theme of all chapters is the power of single molecule techniques to unravel fluctuations and heterogeneities usually hidden in the ensemble average of complex systems. The concept for the book originated from a gathering of some of the world's leading scientists at the Nobel Conference in Sweden.

This book provides a thorough account of the current status of achievements made in the area of soft X-Ray laser source development and of the increasingly diverse applications being demonstrated using such radiation sources. There is significant effort worldwide to develop very bright, short duration radiation sources in the X-Ray spectral region - driven by the multitude of potential applications in all branches of science. This book contains updates on several different approaches for comparative purposes but concentrates on developments in the area of laser-produced plasmas, whereby transient population inversion and gain between ion states is pumped by optical lasers interacting with pre-formed plasmas. Topics covered will include Laser-driven XRLs, Collisional XRLs, Recombination XRLs, Transient Inversion Collisional XRLs, Optical Field Ionization XRLs, Alternative XRL, pumping schemes Theory and simulations of XRL gain media and beam properties High order harmonic sources of XUV radiation, Free-electron lasers and other accelerator based X-Ray sources, X-Ray Laser drives, X-Ray optics and instrumentation Spectroscopy, and other diagnostics of laser media Applications of XRLs.

The book is a technical guide for chemists and spectroscopists, and presents a concise description of magnetic circular dichroism (MCD) spectroscopy and how it has advanced the interpretation of molecular electronic spectra.* Provides a practical guide to utilizing MCD spectroscopy for chemists starting in the field* Written by an expert with over twenty years of experience in the field* Helps the reader to visualize the optical spectroscopic effects presented by MCD measurements* Includes practical considerations for experimental MCD measurements based on the author's experience* Written as a general discussion of the subject matter, with illustrative examples provided and discussed in the case studies to show the breadth of application of MCD measurements.

This book collects all the latest advances in the leading research of the circularly polarized luminescence (CPL) of small organic molecules. Compared with that of lanthanide-based fluorophores, the research into the CPL of small organic molecules is still at the developmental stage for their relatively smaller dissymmetric factors, but has been a source of widespread attention recently. The book includes the state of the art of the discoveries in CPL organic molecules, such as helicenes, biaryls, cyclophanes, boron dipyrromethene dyes, and other chiral molecules, mostly in their isolated states, covering all possible chiral substances for future applications. This book also highlights the recent development of CPL instruments as well as time-resolved circular dichroism spectroscopy, to facilitate the further development and future design of CPL molecules.

Over recent years electronic spectroscopy has developed significantly, with key applications in atmospheric chemistry, astrophysics and astrochemistry. High Resolution Electronic Spectroscopy of Small Molecules explores both theoretical and experimental approaches to understanding the electronic spectra of small molecules, and explains how this information translates to practice. Professors Geoffrey Duxbury and Alexander Alijah present the links between spectroscopy and photochemistry, and discuss theoretical treatments of the interaction between different electronic states. They provide a thorough discussion of experimental techniques, and explore practical applications. This book will be an indispensable reference for graduate students and researchers in physics and chemistry working on theoretical and practical aspects of electronic spectra, as well as atmospheric scientists, photochemists, kineticists and professional spectroscopists.

Protein folding and aggregation is the process by which newly synthesized proteins fold into the specific three-dimensional structures defining their biologically active states. It has always been a major focus of research in biochemistry and has often been seen as the unsolved second part of the genetic code. In the last 10 years we have witnessed a quantum leap in the research in this exciting area. Computational methods have improved to the extent of making possible to simulate the complete folding process of small proteins and the early stages of protein aggregation. Experimental methods have evolved to permit resolving fast processes of folding reactions and visualizing single molecules during folding. The findings from these novel experiments and detailed computer simulations have confirmed the main predictions of analytical theory of protein folding. In summary, protein folding research has finally acquired the status of a truly quantitative science, paving the way for more exciting developments in the near future. This unique book covers all the modern approaches and the many advances experienced in the field during the last 10 years. There is also much emphasis on computational methods and studies of protein aggregation which have really flourished in the last decade. It includes chapters in the areas that have witnessed major developments and are written by top experts including:computer simulations of folding, fast folding, single molecule spectroscopy, protein design, aggregation studies (both computational and experimental). Readers will obtain a unique perspective of the problems faced in the biophysical study of protein conformational behaviour in aqueous solution and how these problems are being solved with a multidisciplinary approach that combines theory, experiment and computer simulations. Protein Folding, Misfolding and Aggregation Classical Themes and Novel Approaches is essential reading for graduate students actively involved in protein folding research, other scientists interested in the recent progress of the field and instructors revamping the protein folding section of their biochemistry and biophysics courses.

The work presented in this thesis involves a number of sophisticated experiments highlighting novel applications of the Pixel Imaging Mass Spectrometry (PImMS) camera in the field of photoinduced molecular dynamics. This approach represents the union of a new enabling technology (a multiple memory register, CMOS-based pixel detector) with several modern chemical physics approaches and represents a significant leap forward in capabilities. Applications demonstrated include three-dimensional imaging of photofragment Newton spheres, simultaneous electron-ion detection using a single sensor, and ion-ion velocity correlation measurements that open the door to novel covariance imaging experiments. When combined with Coulomb explosion imaging, such an approach is demonstrated to allow the measurement of molecular structure and motion on a femtosecond timescale. This is illustrated through the controlled photoexcitation of torsional motion in biphenyl molecules and the subsequent real-time measurement of the torsional angle.

The latest edition of this highly acclaimed title introduces the reader to a wide range of spectroscopies, and includes both the background theory and applications to structure determination and chemical analysis. It covers rotational, vibrational, electronic, photoelectron and Auger spectroscopy, as well as EXAFs and the theory of lasers and laser spectroscopy. * A revised and updated edition of a successful, clearly written book* Includes the latest developments in modern laser techniques, such as cavity ring--down spectroscopy and femtosecond lasers* Provides numerous worked examples, calculations and questions at the end of chapters