This book presents new approaches that offer a better characterization of the interrelationship between crystalline and amorphous phases. In recent years, the use of dielectric spectroscopy has significantly improved our understanding of crystallization. The combination of modern scattering methods, using either synchrotron light or neutrons and infrared spectroscopy with dielectrics, is now helping to reveal modifications of both crystalline and amorphous phases. In turn, this yields insights into the underlying physics of the crystallization process in various materials, e.g. polymers, liquid crystals and diverse liquids. The book offers an excellent introduction to a valuable application of dielectric spectroscopy, and a helpful guide for every scientist who wants to study crystallization processes by means of dielectric spectroscopy.

This book, a consecutive contribution to the series Challenges and Advances in Computational Chemistry and Physics, focuses on understanding the photoinduced processes in biological systems. Understanding and fine control of light fate in molecules is vital for the progress of society and environmental safety. Light induced changes of various physico-chemical and spectroscopic properties in nucleic acids and proteins is the basis of fundamental biological events such as vision, DNA photodamage or photosensing. The investigation of these processes is challenging to both theoretical and experimental studies. This volume encompasses the quantum mechanics/molecular mechanics theory in several subfields, including: advanced computational methods for nucleic acids and proteins systems; dynamics, spectroscopic and physico-chemical properties of biological photoreceptors; DNA photodamage. This book is of interest to readers in both fundamental and application-oriented research by overviewing recent achievements in computational modeling of excited states in nucleic acids and proteins.

The complexity and heterogeneity of biological systems has posed an immense challenge in recent years. An increasingly important tool for obtaining molecular and atomic scale information on a range of large biological molecules and cellular components is solid-state NMR. This technique can address fascinating problems in structural biology, including the arrangement of supramolecular complexes and fibril formation in relation to molecular folding, misfolding and aggregation. Advances in Biological Solid-State NMR brings the reader up to date with chapters from international leaders of this growing field, covering the most recent developments in the methodology and applications of solid-state NMR to studies of membrane interactions and molecular motions. A much needed discussion of membrane systems is detailed alongside important developments in in situ analysis. Topics include applications to biological membranes, membrane active peptides, membrane proteins, protein assemblies and in-cell NMR. This exposition of an invaluable technique will interest those working in a range of related spectroscopic and biological fields. A basic introduction invites those interested to familiarise themselves with the basic mathematical and conceptual foundations of solid-state NMR. A thorough and comprehensive discussion of this promising technique follows, which is essential reading for those working or studying at postgraduate level in this exciting field.

This book focuses on angle-resolved photoemission spectroscopy studies on novel interfacial phenomena in three typical two-dimensional material heterostructures: graphene/h-BN, twisted bilayer graphene, and topological insulator/high-temperature superconductors. Since the discovery of graphene, two-dimensional materials have proven to be quite a large "family". As an alternative to searching for other family members with distinct properties, the combination of two-dimensional (2D) materials to construct heterostructures offers a new platform for achieving new quantum phenomena, exploring new physics, and designing new quantum devices. By stacking different 2D materials together and utilizing interfacial periodical potential and order-parameter coupling, the resulting heterostructure's electronic properties can be tuned to achieve novel properties distinct from those of its constituent materials. This book offers a valuable reference guide for all researchers and students working in the area of condensed matter physics and materials science.

This book is devoted to advanced materials and perspective sensors, which is one of the most important problems in nanotechnology and security. This book is useful for researchers, scientist and graduate students in the fields of solid state physics, nanotechnology and security.

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.

This book presents and discusses recent developments in the broad field of spectroscopy, providing the reader with an updated overview. The main objective is to introduce them to recent innovations and current trends in spectroscopy applied to molecules and materials. The book also brings together experimentalists and theoreticians to highlight the multidimensional aspects of spectroscopy and discuss the latest issues. Accordingly, it provides insights not only into the general goals of spectroscopy, but also into how the various spectroscopic techniques represent a toolbox that can be used to gain a more detailed understanding of molecular systems and complex chemical problems. Besides technical aspects, basic theoretical interpretations of spectroscopic results are also presented. The spectroscopy techniques discussed include UV-visible absorption spectroscopy, Raman spectroscopy, IR absorption spectroscopy, fluorescence spectroscopy, and time-resolved spectroscopy. In turn, basic tools like lasers and theoretical modeling approaches are also presented. Lastly, applications for the characterization of fundamental properties of molecules (environmental aspects, biomolecules, pharmaceutical drugs, hazardous molecules, etc.) and materials (nanomaterials, nuclear chemistry materials, biomaterials, etc.) are discussed. Given its scope, the book offers a valuable resource for researchers from various branches of science, and presents new techniques that can be applied to their specific problems.

This volume provides a collection of state-of-the-art approaches addressing key aspects of multiplexed imaging. Chapters focus on labeling and imaging techniques for multiplexed imaging, as well as on the application of these techniques for the study of cells and tissues. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and practical, Multiplexed Imaging: Methods and Protocols aims to be helpful for researchers interested in implementing multiplexed imaging or in developing novel, cutting-edge multiplexed imaging approaches.

This book reviews the development, characterization and applications of aptamers in different areas of biotechnology ranging from therapeutics to diagnostics and protein purification. Hailed as chemical antibodies, these single-stranded nucleic acid receptors were predicted to supersede antibodies in traditional assays, such as ELISA, within a short time. While this has yet to happen, readers will find in this book a deep insight into the progress of aptamer technology and a critical discussion about the limitations that need to be overcome in order to find wider acceptance and use outside of the still relatively small aptamer-community. This book covers all aspects of aptamer generation and application for the aptamer-experienced reader and curious novice alike, with the addition of an industry perspective on the future of aptamer-use in biotechnology.

Fundamentals of Magnonics is a textbook for beginning graduate students in the areas of magnetism and spintronics. The level of presentation assumes only basic knowledge of the origin of magnetism and electromagnetism, and quantum mechanics. The book utilizes elementary mathematical derivations, aimed mainly at explaining the physical concepts involved in the phenomena studied and enabling a deeper understanding of the experiments presented. Key topics include the basic phenomena of ferromagnetic resonance in bulk materials and thin films, semi-classical theory of spin waves, quantum theory of spin waves and magnons, magnons in antiferromagnets, parametric excitation of magnons, nonlinear and chaotic phenomena, Bose-Einstein condensation of magnons, and magnon spintronics. Featuring end-of-chapter problem sets accompanied by extensive contemporary and historical references, this book provides the essential tools for any graduate or advanced undergraduate-level course of studies on the emerging field of magnonics.

This book reviews the most recent developments of fluorescent imaging techniques for medicinal chemistry research and biomedical applications, including cell imaging, in vitro diagnosis and in vivo imaging. Fluorescent imaging techniques play an important role in basic research, drug discovery and clinical translation. They have great impact to many fields including chemical biology, cell biology, medical imaging, cancer diagnosis and treatment, pharmaceutical science, among others, and they have facilitated our understanding of diseases and helped to develop many novel powerful tools for imaging and treatment of diseases. This book will appeal to scientists from numerous fields such as chemistry, pharmaceutical science, biology, materials science, and medicine, and it will serve as a very useful and handy resource for readers with different levels of scientific knowledge, ranging from entry level to professional level.

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.

How can these compounds be separated? Why was that method used? These are the two basic questions often asked by students of chromatography. HPLC: A Practical Guide provides the answers, enabling the reader to grasp the concepts of the technique using simple, representative chromatograms. Divided into six chapters, this practical guide covers basic concepts of HPLC; instrumentation; stationary phase materials; eluents; column efficiency; and the influence of physical chemistry on separations. Focusing on the basic considerations such as selection of stationary phase and eluent, rather than specific applications, sections on troubleshooting are also included. Uniquely, the descriptions of chromatographic separations are based on solubility using molecular properties, and solubility parameters are used to analyse the selections of chromatographic mode and column. Presenting the chemistry of liquid chromatography for undergraduate students, this valuable practical guide will also be useful for laboratory staff in industry and academia.

This volume presents methods used for the analysis of glycoproteins at different levels-intact, subunit, glycopeptide, and monosaccharide--, and discusses and solves most analytical challenges that a scientist working on glycoproteins may come across. The chapters in this book cover topics such as the role of glycosylation on the properties of therapeutic glycoproteins; different analytical methods to characterize glycosylation, from the intact proteins to the glycan level, for both N-linked and O-linked glycoproteins; mass spectrometry imaging methodology for glycosylation analysis in tissues; approaches to characterizing glycosylation on cultured cells; and the use of cloud computing to deploy mass spectrometry data analysis. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Cutting-edge and thorough, Mass Spectrometry of Glycoproteins: Methods and Protocols is a valuable resource for scientists interested in learning more about this developing field.

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.

This book presents a selection of advanced lectures from leading researchers, providing recent theoretical results on strongly coupled quantum field theories. It also analyzes their use for describing new quantum states, which are physically realizable in condensed matter, cold-atomic systems, as well as artificial materials. It particularly focuses on the engineering of these states in quantum devices and novel materials useful for quantum information processing. The book offers graduate students and young researchers in the field of modern condensed matter theory an updated review of the most relevant theoretical methods used in strongly coupled field theory and string theory. It also provides the tools for understanding their relevance in describing the emergence of new quantum states in a variety of physical settings. Specifically, this proceedings book summarizes new and previously unrelated developments in modern condensed matter physics, in particular: the interface of condensed matter theory and quantum information theory; the interface of condensed matter physics and the mathematics emerging from the classification of the topological phases of matter, such as topological insulators and topological superconductors; and the simulation of condensed matter systems with cold atoms in optical lattices.

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.

Inelastic neutron scattering (INS) is a spectroscopic technique in which neutrons are used to probe the dynamics of atoms and molecules in solids and liquids. This book is the first, since the late 1960s, to cover the principles and applications of INS as a vibrational-spectroscopic technique. It provides a hands-on account of the use of INS, concentrating on how neutron vibrational spectroscopy can be employed to obtain chemical information on a range of materials that are of interest to chemists, biologists, materials scientists, surface scientists and catalyst researchers. This is an accessible and comprehensive single-volume primary text and reference source.

Nuclear magnetic resonance spectroscopy (NMR spectroscopy) is a research technique that uses the magnetic properties of atomic nuclei to determine physical and chemical properties of atoms or the molecules in which they are contained. Proton NMR (1H NMR) is a technique that applies NMR spectroscopy specifically to the hydrogen-1 nuclei within the molecules of a substance, in order to determine the structure of that substance's molecules. The use of 1H NMR for the assignment of absolute configuration of organic compounds is a well-established technique. Recent research describes the technique's application to mono-, bi- and trifunctional compounds. In addition, several new auxiliary reagents, mono- and biderivatization procedures, on-resin methodologies and more recently, the use of 13C NMR, have been introduced to the field. In The Assignment of the Absolute Configuration by NMR using Chiral Derivatizing Agents: A Practical Guide, eminent Professor of Organic Chemistry Ricardo Riguera organizes this cutting-edge NMR research. Professor Riguera offers a short and usable guide that introduces the reader to the research with a plethora of details and examples. The book briefly explains the theoretical aspects necessary for understanding the methodology, dedicating most of its space to covering the practical aspects of the assignment, with examples and spectra taken from the authors' own experiments. Upper-level undergraduates, graduate students, and chemical researchers will find this guide useful for their studies and practice.

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.

An Introduction to Analytical Atomic Spectrometry is a thoroughly revised and updated version of the highly successful book by Les Ebdon, An Introduction to Atomic Absorption Spectroscopy. The change in title reflects the number of significant developments in the field of atomic spectrometry since publication of the earlier book. New topics include plasma atomic emission spectrometry and inductively coupled plasma mass spectrometry. Key features:

• Self assessment questions throughout book to test understanding
• Keywords highlighted to facilitate revision
• Practical exercises using modern techniques
• Comprehensive bibliography for further reading

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.

This concise book introduces and discusses the basic theory of conical intersections with applications in atomic, molecular and condensed matter physics. Conical intersections are linked to the energy of quantum systems. They can occur in any physical system characterized by both slow and fast degrees of freedom - such as e.g. the fast electrons and slow nuclei of a vibrating and rotating molecule - and are important when studying the evolution of quantum systems controlled by classical parameters. Furthermore, they play a relevant role for understanding the topological properties of condensed matter systems. Conical intersections are associated with many interesting features, such as a breakdown of the Born-Oppenheimer approximation and the appearance of nontrivial artificial gauge structures, similar to the Aharonov-Bohm effect. Some applications presented in this book include - Molecular Systems: some molecules in nonlinear nuclear configurations undergo Jahn-Teller distortions under which the molecule lower their symmetry if the electronic states belong to a degenerate irreducible representation of the molecular point group. - Solid State Physics: different types of Berry phases associated with conical intersections can be used to detect topologically nontrivial states of matter, such as topological insulators, Weyl semi-metals, as well as Majorana fermions in superconductors. - Cold Atoms: the motion of cold atoms in slowly varying inhomogeneous laser fields is governed by artificial gauge fields that arise when averaging over the fast internal degrees of freedom of the atoms. These gauge fields can be Abelian or non-Abelian, which opens up the possibility to create analogs to various relativistic effects at low speed.

Applications of Time-of-Flight and Orbitrap Mass Spectrometry in Environmental, Food, Doping, and Forensic Analysis deals with the use of high-resolution mass spectrometry (MS) in the analysis of small organic molecules. Over the past few years, time-of-flight (ToF) and Orbitrap MS have both experienced tremendous growth in a great number of analytical sectors and are now well established in many laboratories where high requirements are placed on analytical performance. This book gives a head-to-head comparison of these two technologies that compete directly with each other. As users with hands-on experience in both techniques, the authors provide a balanced description of the strengths and weaknesses of both techniques. In the vast majority of cases, ToF-MS and Orbitrap-MS have been used for qualitative purposes, mainly identification of discrete molecular entities such as drug metabolites or transformation products of environmental contaminants. This paradigm is now changing as quantitative capabilities are increasingly being explored, as are non-target approaches for unbiased broad-scope screening. In view of the continuous innovation of high-resolution MS instrument manufacturers in designing and developing more powerful machines, technological advances in both hardware and software are considerable, with many novel applications. This book summarizes and analyzes these trends. The compilation of selected examples from diverse analytical fields will allow the readers to discover not only the potential of high-resolution MS in their sector, but also shows advances in other fields that rely on hi-res MS.

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.