An introduction to underlying principles and experimental procedures using the newest strategies and techniques for obtaining extensive NMR assignments in biopolymers based on NMR data and the primary structure. Includes an extensive and non-mathematical discussion of 2D NMR and Nulcear Overhauser effects; resonance assignments and structure determination in proteins; and resonance assignments and structure determination in nucleic acids. Enables specialists and non-specialists to evaluate the potentialities and limitations of the method.

This thesis presents a highly innovative study of the ultrafast structural and vibrational dynamics of hydrated phospholipids, the basic constituents of cell membranes. As a novel approach to the water-phospholipid interface, the author studies phosphate vibrations using the most advanced methods of nonlinear vibrational spectroscopy, including femtosecond two-dimensional infrared spectroscopy. He shows for the first time that the structure of interfacial water undergoes very limited fluctuations on a 300 fs time scale and that the lifetimes of hydrogen bonds with the phospholipid are typically longer than 10 ps. Such properties originate from the steric hindrance of water fluctuations at the interface and the orienting action of strong electric fields from the phospholipid head group dipoles. In an extensive series of additional experiments, the vibrational lifetimes of the different vibrations and the processes of energy dissipation are elucidated in detail.

To anyone who is interested in surface chemical analysis of materials on the nanometer scale, this book is prepared to give appropriate information. Based on typical application examples in materials science, a concise approach to all aspects of quantitative analysis of surfaces and thin films with AES and XPS is provided. Starting from basic principles which are step by step developed into practically useful equations, extensive guidance is given to graduate students as well as to experienced researchers. Key chapters are those on quantitative surface analysis and on quantitative depth profiling, including recent developments in topics such as surface excitation parameter and backscattering correction factor. Basic relations are derived for emission and excitation angle dependencies in the analysis of bulk material and of fractional nano-layer structures, and for both smooth and rough surfaces. It is shown how to optimize the analytical strategy, signal-to-noise ratio, certainty and detection limit. Worked examples for quantification of alloys and of layer structures in practical cases (e.g. contamination, evaporation, segregation and oxidation) are used to critically review different approaches to quantification with respect to average matrix correction factors and matrix relative sensitivity factors. State-of-the-art issues in quantitative, destructive and non-destructive depth profiling are discussed with emphasis on sputter depth profiling and on angle resolved XPS and AES. Taking into account preferential sputtering and electron backscattering corrections, an introduction to the mixing-roughness-information depth (MRI) model and its extensions is presented.

This book presents the current knowledge about superconductivity in high Tc cuprate superconductors. There is a large scientific interest and great potential for technological applications. The book discusses all the aspects related to all families of cuprate superconductors discovered so far. Beginning with the phenomenon of superconductivity, the book covers: the structure of cuprate HTSCs, critical currents, flux pinning, synthesis of HTSCs, proximity effect and SQUIDs, possible applications of high Tc superconductors and theories of superconductivity. Though a high Tc theory is still awaited, this book describes the present scenario and BCS and RVB theories. The second edition was significantly extended by including film-substrate lattice matching and buffer layer considerations in thin film HTSCs, brick-wall microstructure in the epitaxial films, electronic structure of the CuO2 layer in cuprates, s-wave and d-wave coupling in HTSCs and possible scenarios of theories of high Tc superconductivity.

Volume III/48A continues the compilation of nuclear quadrupole resonance spectroscopy (NQRS) data of solid substances, covering the literarure from 1995 to the end of 2006. It provides 1270 NQRS data sets (measurement method, nucleus, temperature, quadrupole coupling constant, asymmetry parameter, resonance frequeny, remarks, references) for substances with Hill formulae ranging from Ag to C10H15. Included are the data for substances studied for the first time, as well as data for substances already present in previous volumes if the data published there could be completed or improved by the new studies.

Mass Spectrometry: Principles and Applications, Third Edition

Edmond de Hoffmann, "UniversitA(c) Catholique de Louvain, Belgium" and Vincent Stroobant, "Ludwig Institute for Cancer Research, Brussels Branch, Belgium."

"Mass Spectrometry, Third Edition" provides students with a complete overview of the principles, theories and key applications of modern mass spectrometry. Extensively revised and updated, the third edition of this successful textbook focuses on recent developments in techniques and applications. All instrumental aspects of mass spectrometry are clearly and concisely described. Emphasis is placed throughout the text on practical application examples. As with previous editions, it contains numerous tables of useful data, references and a series of exercises of increasing difficulty to encourage student understanding.

Provides a complete overview of the principles, theories and applications of modern mass spectrometry

An extensive revision and update including: increased coverage of MALDI and ESI, resolution and mass accuracy and activation of ions

New material about instruments such as linear traps, Orbitrap, TOF/TOF, hybrid instruments, and about new atmospheric ionisation techniques such as APPI, DESI, DART. The range of applications has been expanded and newer methods such as metabolome are included

Contains numerous examples and exercises to encourage student understanding

"Mass Spectrometry: Principles and Applications, Third Edition" will prove invaluable to undergraduates and postgraduates using this technique in departments of chemistry, biochemistry, medicine, pharmacology, agriculture, materials science and food science. It will alsoappeal to researchers looking for an overview of the latest techniques and developments.

Rasmus Brogaard's thesis digs into the fundamental issue of how the shape of a molecule relates to its photochemical reactivity. This relation is drastically different from that of ground-state chemistry, since lifetimes of excited states are often comparable to or even shorter than the time scales of conformational changes. Combining theoretical and experimental efforts in femto-second time-resolved photoionization Rasmus Brogaard finds that a requirement for an efficient photochemical reaction is the prearrangement of the constituents in a reactive conformation.
Furthermore, he is able to show that by exploiting a strong ionic interaction between two chromophores, a coherent molecular motion can be induced and probed in real-time. This way of using bichromophoric interactions provides a promising strategy for future research on conformational dynamics.

Within the last 30 years, electron energy-loss spectroscopy (EELS) has become a standard analytical technique used in the transmission electron microscope to extract chemical and structural information down to the atomic level. In two previous editions, "Electron Energy-Loss Spectroscopy in the Electron Microscope" has become the standard reference guide to the instrumentation, physics and procedures involved, and the kind of results obtainable. Within the last few years, the commercial availability of lens-aberration correctors and electron-beam monochromators has further increased the spatial and energy resolution of EELS. This thoroughly updated and revised Third Edition incorporates these new developments, as well as advances in electron-scattering theory, spectral and image processing, and recent applications in fields such as nanotechnology. The appendices now contain a listing of inelastic mean free paths and a description of more than 20 MATLAB programs for calculating EELS data.

In recent years, optical properties of the unique atomic and molecular structures of materials have drawn great scientific interest. Linear optical properties of materials such as metals, metal oxides, magnetic oxides, and organic materials are based on energy transfer and find applications in wastewater treatment, forensic science, biomedical science, photovoltaics, nuclear technology, and LED displays. Nonlinear optical properties of materials are based on the nonlinear medium and find more advanced applications in frequency mixing generations and optical parametric oscillations. This book presents the underlying principles, implementation, and applications of the linear and nonlinear optical properties of materials and has been divided into two parts emphasizing these properties. The first part of the book, Linear Optics, discusses bimetallic nanoparticles in dielectric media and their integration to dye molecules to detect trace amounts of heavy metals at the nanometer level, as well as to enhance luminescence and image contrasts in forensic inspection and biomedical diagnosis. It shows how the integration of bimetallic nanoparticles into a ZnO matrix promotes broadening of the absorption spectrum from the ultraviolet to the visible wavelength. It explains the role of surface adsorption and photocatalytic degradation in dye-removal kinetics by Fe3O4 magnetic nanoparticles under pulsed white light. It also discusses the double-layer shielding tank design to safely store radioactive waste and photon propagation through the multilayer structures of a human tissue model. The second part of the book, Nonlinear Optics, presents general concepts such as electromagnetic theory, nonlinear medium, and wave propagation, as well as more advanced concepts such as second harmonic generation, phase matching, optical parametric interactions, different frequency generation, sum frequency generation, tunable laser, and optical resonant oscillator.

As one of the most extensive and important protein post-translational modifications, glycosylation plays a vital role in regulating organisms and is associated with various physiological and pathological processes. Recently, researchers have focused on the need to characterize protein glycosylation sites, structures, and their degree of modification, to better understand their biological functions while also looking for potential biomarkers for diagnosis and treatment of disease. Mass spectrometry (MS) is one of the most powerful tools used to study biomolecules including glycoproteins and glycans. With the continuous development of glycoproteomics and glycomics based on MS analysis, more techniques have evolved and contribute to understanding the structure and function of glycoproteins and glycans. This book reviews advancements achieved in MS-based glycoproteomic analysis, including a wide range of analytical methodologies and strategies involved in selective enrichment; as well as qualitative, quantitative, and data analysis, together with their clinical applications. Significant examples are discussed to illustrate the principles, laboratory protocols, and advice for key implementation to ensure successful results. Mass Spectrometry-Based Glycoproteomics and Its Clinic Application will serve as a valuable resource to elucidate new techniques and their applications for students, postdocs, and researchers working in proteomics, glycoscience, analytical chemistry, biochemistry, and clinical medicine. Editor: Haojie Lu is a professor at Fudan University, specializing in proteomics based on mass spectrometry with particular emphasis on novel technologies for separation and identification of low-abundant proteins and post-translationally modified proteins (including glycosylation), as well as relative and absolute quantification methods for proteomics.

Over the last decade, the use of ion mobility separation in combination with mass spectrometry analysis has developed significantly. This technique adds a unique extra dimension enabling the in-depth analysis of a wide range of complex samples in the areas of the chemical and biological sciences. Providing a comprehensive guide to the technique, each chapter is written by an internationally recognised expert and with numerous different commercial platforms to choose from, this book will help the end users understand the practicalities of using different instruments for different ion mobility purposes. The first section provides a detailed account of the fundamentals behind the technique and the current range of available instrumentation. The second section focusses on the wide range of applications that have benefitted from ion mobility - mass spectrometry and includes topics taken from current research in the pharmaceutical, metabolomics, glycomics, and structural molecular biology fields. The book is primarily aimed at researchers, appealing to practising chemists and biochemists, as well as those in the pharmaceutical and medical fields.

This book describes the history of and recent developments in cobaltite and the spin-crossover (SC) phenomena. It offers readers an overview of essential research conducted on cobaltite and introduces them to the fundamentals of condensed matter physics research. The book consists of two parts. The first part reviews SC phenomena, covering the fundamental physics of SC phenomena and basic material properties of cobaltite. The second part focuses on recent topics in SC cobaltite, including the optical and dynamical features of cobaltite, thin material fabrication, and thermoelectric properties. The comprehensive coverage and clearly structured topics will especially appeal to newcomers to the field of state-of-the-art research on cobaltite and SC physics.

Covering a wide-ranging facet of a "gold-standard" targeted mass spectrometry (MS) method for the consistent detection and accurate quantification of preselected proteins in complex biological matrices, Selected Reaction Monitoring Mass Spectrometry (SRM-MS) in Proteomics: A Comprehensive View describes: The knowledge-based development of highly efficient SRM methodology including assay workflow, selection of proteins, peptides, transitions and its validation, and quality assessment Available bioinformatic tools - for both pre-acquisition method development and post-MS acquisition data analysis and data repositories Various relative and absolute quantification techniques SRM-MS' widespread applications in biomarker development and in clinical studies, as well as in the analysis of various posttranslational modifications (PTMs) Current challenges and contemporary trends to overcome those difficulties In addition, it features the historical development of modern-day mass spectrometry with its vivid applications and also covers basic MS instrumentation, ionization techniques, and various proteomics approaches. Comprehensive discussion, extensive references at the end of each chapter, and the list of review articles in the bibliography offer invaluable resources for advanced readings. Researchers from the undergraduate to postgraduate level and beyond in both academic or industry settings studying and working on mass spectrometry and/or proteomics will benefit from this book.

Fourier Transform Infrared microspectroscopy (FTIR) was first developed by William Coblentz in 1905 for analytical purposes. It has been established as a powerful analytical method to analyze a wide range of materials. The most convenient way to analyze the molecular structure was to prepare KBr pellets with small amount of chemical species. Currently, the development of the Universal Attenuated Total Reflectance (UATR) allows the use of ZnSe-Diamond crystal to acquire FTIR spectra directly from the sample with no special preparation. These traditional FTIR analyses have been made with devices capable of performing single measurements, thus, providing a single IR spectrum of the sample. Recent major technological development in FTIR instrumentation was development of microscopes and imaging systems. These devices are now capable of imaging larger sample area, providing not only spectroscopic information but also spatial distributional information. In addition, the development of Focal Point Array (FPA) has made FTIR imaging an emerging area of chemical imaging research. The aim of this book is to summarize in a single document the research work that is being performed using UATR and IR imaging in selected emerging applications in plant materials and biological samples. This book provides the readers new knowledge, updates information, emerging applications, and understanding of the potential use of FTIR Microspectroscopy.

"Photoelectrochemical Hydrogen Production" describes the principles and materials challenges for the conversion of sunlight into hydrogen through water splitting at a semiconducting electrode. Readers will find an analysis of the solid state properties and materials requirements for semiconducting photo-electrodes, a detailed description of the semiconductor/electrolyte interface, in addition to the photo-electrochemical (PEC) cell. Experimental techniques to investigate both materials and PEC device performance are outlined, followed by an overview of the current state-of-the-art in PEC materials and devices, and combinatorial approaches towards the development of new materials. Finally, the economic and business perspectives of PEC devices are discussed, and promising future directions indicated.

Photoelectrochemical Hydrogen Production is a one-stop resource for scientists, students and R&D practitioners starting in this field, providing both the theoretical background as well as useful practical information on photoelectrochemical measurement techniques. Experts in the field benefit from the chapters on current state-of-the-art materials/devices and future directions.

This thesis identifies the turning point in chain length, after which alkanes self-solvate into a folded structure instead of an extended stretched conformation. After this turning point, London dispersion forces rearrange isolated n-alkanes into a particular hairpin-structure, while for shorter chain lengths, a simple stretched conformation is energetically preferred. This thesis can locate the experimental turning point for the first time in an interaction-free manner from measurements of unbranched alkanes at low temperatures in supersonic jet expansions. It contains a detailed analysis of the vibrational Raman spectra of the chain molecules, which is supported by comprehensive quantum chemical simulations. In this way, the detailed balance between inter-chain attraction and conformational flexibility can be quantified. The investigations are complemented by measurements of perfluoroalkanes and similarities and differences between the compounds are discussed. Furthermore, Nils Luttschwager determines the stiffnesses (elastic moduli) of two of the most common industrial polymers: polyethylene and polytetrafluorethylene. He uses in this thesis a sophisticated extrapolation to calculate this value from quantities of their building blocks, showing that the single polymer molecules can be as stiff as a rod of steel.

Covers the fundamental instrumentation and techniques Discusses HRMS-based phytochemical research details Focuses strictly on the phytochemical considerations

This book highlights recent advances and applications in terahertz (THz) technology, addressing advanced topics such as THz biomedical imaging, pattern recognition and tomographic reconstruction for THz biomedical imaging by machine learning and artificial intelligence, THz imaging radars for autonomous vehicle applications, and THz imaging systems for security and surveillance. It also discusses theoretical, experimental, established and validated empirical work on these topics.

Provides comprehensive coverage on using X-ray fluorescence for laboratory applications This book focuses on the practical aspects of X-ray fluorescence (XRF) spectroscopy and discusses the requirements for a successful sample analysis, such as sample preparation, measurement techniques and calibration, as well as the quality of the analysis results. X-Ray Fluorescence Spectroscopy for Laboratory Applications begins with a short overview of the physical fundamentals of the generation of X-rays and their interaction with the sample material, followed by a presentation of the different methods of sample preparation in dependence on the quality of the source material and the objective of the measurement. After a short description of the different available equipment types and their respective performance, the book provides in-depth information on the choice of the optimal measurement conditions and the processing of the measurement results. It covers instrument types for XRF; acquisition and evaluation of X-Ray spectra; analytical errors; analysis of homogeneous materials, powders, and liquids; special applications of XRF; process control and automation. An important resource for the analytical chemist, providing concrete guidelines and support for everyday analyses Focuses on daily laboratory work with commercially available devices Offers a unique compilation of knowledge and best practices from equipment manufacturers and users Covers the entire work process: sample preparation, the actual measurement, data processing, assessment of uncertainty, and accuracy of the obtained results X-Ray Fluorescence Spectroscopy for Laboratory Applications appeals to analytical chemists, analytical laboratories, materials scientists, environmental chemists, chemical engineers, biotechnologists, and pharma engineers.

Leading experts discuss the characteristics, advantages, limitations and future aspects of modern spectroscopic techniques for environmental analysis. Demonstrates how these methods can be applied to trace gas detection and assessment. Concentrates on the latest techniques—both laser and non-laser based—which offer advantages for air pollution and gas monitoring as opposed to more conventional methods. Numerous examples of applications illustrate the potential of the techniques backed up by cutting-edge information and representative data.

This thesis demonstrates that an ultralow temperature refrigeration technique called "demagnetisation refrigeration" can be miniaturised and incorporated onto millimeter-sized chips to cool nanoelectronic circuits, devices and materials. Until recently, the lowest temperature ever reached in such systems was around 4 millikelvin. Here, a temperature of 1.2mK is reported in a nanoelectronic device. The thesis introduces the idea that on-chip demagnetization refrigeration can be used to cool a wide variety of nanostructures and devices to microkelvin temperatures. This brings the exciting possibility of discovering new physics, such as exotic electronic phases, in an unexplored regime and the potential to improve the performance of existing applications, including solid-state quantum technologies. Since the first demonstration of on-chip demagnetization refrigeration, described here, the technique has been taken up by other research groups around the world. The lowest on-chip temperature is currently 0.4mK. Work is now underway to adapt the technique to cool other materials and devices, ultimately leading to a platform to study nanoscale materials, devices and circuits at microkelvin temperatures.

This book offers historical and state-of-the-art molecular spectroscopy methods and applications in dynamic compression science, aimed at the upcoming generation in physical sciences involved in studies of materials at extremes. It begins with addressing the motivation for probing shock compressed molecular materials with spectroscopy and then reviews historical developments and the basics of the various spectroscopic methods that have been utilized. Introductory chapters are devoted to fundamentals of molecular spectroscopy, overviews of dynamic compression technologies, and diagnostics used to quantify the shock compression state during spectroscopy experiments. Subsequent chapters describe all the molecular spectroscopic methods used in shock compression research to date, including theory, experimental details for application to shocked materials, and difficulties that can be encountered. Each of these chapters also includes a section comparing static compression results. The last chapter offers an outlook for the future, which leads the next-generation readers to tackling persistent problems.

The 39th Denver Conference on Applications of X-ray Analysis was held July 31-August 4, 1995, at the Sheraton Hotel, Colorado Springs, Colorado. The year 1995 was a special year for the X-ray analysis community, since it represented the 100th anniversary ofthe discovery ofX-rays by Wilhelm Roentgen. In commemoration of this event, the Plenary Session of the conference was entitled "THE ROENTGEN COMMEMORATIVE SESSION:1895-1995, "100 YEARS OF PROGRESS IN X-RA Y SCIENCE AND APPLICATIONS". It is interesting to note that while we celebrate 100 years ofthe use ofX-ray techniques in general, and about 80 years ofX-ray diffraction and spectroscopy in particular, the Denver X-ray Conference has been in place for about half ofthat time period! Like the X-ray methods it represents, the Denver Conference on Applications ofX-ray Analysis has grown and matured, has survived the rigors oftime, and today, provides the worlds' best annual forum for the exchange of experiences and developments in the various fields ofX-ray analysis. Imagine, when the Denver Conference started in 1951, there were no personal computer- in fact, there were no computers, period! There was no SEM, no microprobe, there were no Si(Li) detectors, no transistors, no synchrotrons, Hugo Rietveld was a child, and many members who regularly attend Denver Meetings today, weren't even born yet! As I write this foreword, a copy of volurne 1 of Advances in X-ray Analysis lays in front of me on my desk.

The unique properties of ferromagnetic resonance (FMR) in magnetodielectric solids are widely used to create highly efficient analog information processing devices in the microwave range. Such devices include filters, delay lines, phase shifters, non-reciprocal and non-linear devices, and others. This book examines magnetic resonance and ferromagnetic resonance under a wide variety of conditions to study physical properties of magnetodielectric materials. The authors explore the properties in various mediums that significantly complicate magnetic resonance and provide a summary of related advances obtained during the last two decades. It also covers the emergence of new branches of the spectrum and anomalous dependencies on the magnetic field. Key Features: Reviews basic principles of the science of crystallographic symmetry and anisotropic solid-state properties Addresses the inhomogeneous nature of the distribution of the magnetization in the material being studied Explains the mathematic methods used in the calculation of anisotropic solids of a solid Provides the reader with a path to substitute electromagnetic waves when magnetostatic apparatus prove insufficient

This volume covers a broad range of topics focusing on atoms, molecules, and clusters interacting in intense laser field, laser induced filamentation, and laser plasma interaction and application. The PUILS series delivers up-to-date reviews of progress in Ultrafast Intense Laser Science, a newly emerging interdisciplinary research field spanning atomic and molecular physics, molecular science, and optical science, which has been stimulated by the recent developments in ultrafast laser technologies. Each volume compiles peer-reviewed articles authored by researchers at the forefront of each their own subfields of UILS. Every chapter opens with an overview of the topics to be discussed, so that researchers unfamiliar to the subfield, as well as graduate students, can grasp the importance and attractions of the research topic at hand; these are followed by reports of cutting-edge discoveries.