This edited book, based on material presented at the EU Spec Training School on Multiple Scattering Codes and the following MSNano Conference, is divided into two distinct parts. The first part, subtitled "basic knowledge", provides the basics of the multiple scattering description in spectroscopies, enabling readers to understand the physics behind the various multiple scattering codes available for modelling spectroscopies. The second part, "extended knowledge", presents "state- of-the-art" short chapters on specific subjects associated with improving of the actual description of spectroscopies within the multiple scattering formalism, such as inelastic processes, or precise examples of modelling.

This book addresses the highly relevant subject of emerging pollutants, which are especially alarming since most of the available treatment technologies are unable to degrade them. It discusses the sources of these pollutants and their fate in the environment, and the main tools available for their analysis. It also describes the representative environmental matrices (air, soil and water) and appropriate analytical methods for each matrix. Furthermore, it examines aspects of toxicology, chemometrics, sample preparation and green analytical chemistry. As such, it provides a broad overview of the potential analytical approaches for monitoring and controlling emerging pollutants. This book fills a gap in the literature, and is a valuable resource for all professionals concerned with emerging pollutant control in real-world situations.

This book is intended as an introductory lecture in material physics, in which the modern computational group theory and the electronic structure calculation are in collaboration. The first part explains how to use computer algebra for applications in solid-state simulation, based on the GAP computer algebra package. Computer algebra enables us to easily obtain various group theoretical properties, such as the representations, character tables, and subgroups. Furthermore it offers a new perspective on material design, which could be executed in a mathematically rigorous and systematic way. The second part then analyzes the relation between the structural symmetry and the electronic structure in C60 (as an example of a system without periodicity). The principal object of the study was to illustrate the hierarchical change in the quantum-physical properties of the molecule, which correlates to the reduction in the symmetry (as it descends down in the ladder of subgroups). The book also presents the computation of the vibrational modes of the C60 by means of the computer algebra. In order to serve the common interests of researchers, the details of the computations (the required initial data and the small programs developed for the purpose) are explained in as much detail as possible.

This book concisely illustrates the techniques of major surface analysis and their applications to a few key examples. Surfaces play crucial roles in various interfacial processes, and their electronic/geometric structures rule the physical/chemical properties. In the last several decades, various techniques for surface analysis have been developed in conjunction with advances in optics, electronics, and quantum beams. This book provides a useful resource for a wide range of scientists and engineers from students to professionals in understanding the main points of each technique, such as principles, capabilities and requirements, at a glance. It is a contemporary encyclopedia for selecting the appropriate method depending on the reader's purpose.

This book is an up-to-date survey of the major optical characterization techniques for thin solid films. Emphasis is placed on practicability of the various approaches. Relevant fundamentals are briefly reviewed before demonstrating the application of these techniques to practically relevant research and development topics. The book is written by international top experts, all of whom are involved in industrial research and development projects.

This book presents a detailed overview of the design, formatting, application, and development of microfluidic chips in the context of cell biology research, enumerating each element involved in microfluidics-based cell analysis, discussing its history, status quo, and future prospects, It also offers an extensive review of the research completed in the past decade, including numerous color figures. The individual chapters are based on the respective authors' studies and experiences, providing tips from the frontline to help researchers overcome bottlenecks in their own work. It highlights a number of cutting-edge techniques, such as 3D cell culture, microfluidic droplet technique, and microfluidic chip-mass spectrometry interfaces, offering a first-hand impression of the latest trends in the field and suggesting new research directions. Serving as both an elementary introduction and advanced guidebook, the book interests and inspires scholars and students who are currently studying microfluidics-based cell analysis methods as well as those who wish to do so.

This thesis mainly focuses on the design and synthesis of novel multifunctional nanoprobes, investigating their feasibility for applications involving sensing, molecular imaging, and the simultaneous diagnosis and therapy of cancer. Above all, it discusses the development of innovative nanomaterials to address the issues limiting the effectiveness of currently available nanoprobes such as the synthesis shortcoming and poor performance in sensing, imaging and therapeutic applications. One of the strengths of this thesis is its integration of knowledge from chemistry, materials science and biomedicine. Further, it presents the theoretical fundamentals in the design of nanoprobes, which can offer guidance for future studies on the development of novel multifunctional nanomaterials with significantly enhanced performance.

Many open questions in Theoretical Physics pertain to strongly interacting quantum systems such as the quark-gluon plasma (QGP) produced in heavy-ion collisions or the strange-metal phase observed in many high-temperature superconductors. These systems are notoriously difficult to study using traditional methods such as perturbation theory, but the gauge/gravity duality offers a successful alternative approach, which maps strongly interacting quantum gauge theories to computationally tractable, classical gravity theories. This book begins with a pedagogical introduction to how the duality can be used to extract transport properties of quantum systems from their gravity dual. It then presents new results on hydrodynamic transport in strongly interacting quantum fluids, providing strong evidence that the Haack-Yarom identity between second-order transport coefficients holds for all fluids with a classical gravity dual and may be a universal feature of all strongly coupled quantum fluids such as the QGP. Newly derived Kubo formulae, expressing transport coefficients in terms of quantum correlators, hold independently of the duality. Lastly, the book discusses new results on magnetic impurities in strongly correlated metals, including the first dual gravity description of an inter-impurity coupling, crucial for the quantum criticality underlying the strange-metal phase.

This book describes fundamental theory and recent advances of sum frequency generation (SFG) spectroscopy. SFG spectroscopy is widely used as a powerful tool of surface characterization, although theoretical interpretation of the obtained spectra has been a major bottleneck for most users. Recent advances in SFG theory have brought about a breakthrough in the analysis methods beyond conventional empirical ones, and molecular dynamics (MD) simulation of SFG spectroscopy allows for simultaneous understanding of observed spectra and interface structure in unprecedented detail. This book explains these recently understood theoretical aspects of SFG spectroscopy by the major developer of the theory. The theoretical topics are treated at basic levels for undergraduate students and are described in relation to computational chemistry, such as molecular modeling and MD simulation, toward close collaboration of SFG spectroscopy and computational chemistry in the near future.

This book focuses on the most recent, relevant, comprehensive and significant aspects in the well-established multidisciplinary field Laboratory Astrophysics. It focuses on astrophysical environments, which include asteroids, comets, the interstellar medium, and circumstellar and circumplanetary regions. Its scope lies between physics and chemistry, since it explores physical properties of the gas, ice, and dust present in those systems, as well as chemical reactions occurring in the gas phase, the bare dust surface, or in the ice bulk and its surface. Each chapter provides the necessary mathematical background to understand the subject, followed by a case study of the corresponding system. The book provides adequate material to help interpret the observations, or the computer models of astrophysical environments. It introduces and describes the use of spectroscopic tools for laboratory astrophysics. This book is mainly addressed to PhD graduates working in this field or observers and modelers searching for information on ice and dust processes.

This book focuses on the widely used experimental techniques available for the structural, morphological, and spectroscopic characterization of materials. Recent developments in a wide range of experimental techniques and their application to the quantification of materials properties are an essential side of this book. Moreover, it provides concise but thorough coverage of the practical and theoretical aspects of the analytical techniques used to characterize a wide variety of functional nanomaterials. The book provides an overview of widely used characterization techniques for a broad audience: from beginners and graduate students, to advanced specialists in both academia and industry.

The book explores the phenomenon of surface-enhanced Raman scattering (SERS), the huge amplification of Raman signal from molecules in the proximity of a metallic nanostructured surface, allowing readers to gain an in-depth understanding of the mechanisms affecting the spectroscopic response of SERS-active systems for effective applications. SERS spectroscopy is an ultrasensitive analytical technique with great potential for applications in the field of biophysics and nanomedicine. As examples, the author presents the design of nanocolloid-based SERS-active substrates for molecular sensing and of a folate-based SERS-active nanosensor capable of selectively interacting with cancer cells, enabling cancer diagnostics and therapy at the single-cell level. The author also suggests novel paths for the systematization of the SERS nanosystem design and experimental protocols to maximize sensitivity and reproducibility, which is essential when real-world biomedical applications are the goal of the study. With a combined approach, both fundamental and applied, and a detailed analysis of the state of the art, this book provides a valuable overview both for students new to SERS spectroscopy and for experts in the field.

This thesis presents detailed mechanistic studies on a series of important C-H activation reactions using combined computational methods and mass spectrometry experiments. It also provides guidance on the design and improvement of catalysts and ligands. The reactions investigated include: (i) a nitrile-containing template-assisted meta-selective C-H activation, (ii) Pd/mono-N-protected amino acid (MPAA) catalyzed meta-selective C-H activation, (iii) Pd/MPAA catalyzed asymmetric C-H activation reactions, and (iv) Cu-catalyzed sp3 C-H cross-dehydrogenative-coupling reaction. The book reports on a novel dimeric Pd-M (M = Pd or Ag) model for reaction (i), which successfully explains the meta-selectivity observed experimentally. For reaction (ii), with a combined DFT/MS method, the author successfully reveals the roles of MPAA ligands and a new C-H activation mechanism, which accounts for the improved reactivity and high meta-selectivity and opens new avenues for ligand design. She subsequently applies ion-mobility mass spectrometry to capture and separate the [Pd(MPAA)(substrate)] complex at different stages for the first time, providing support for the internal-base model for reaction (iii). Employing DFT studies, she then establishes a chirality relay model that can be widely applied to MPAA-assisted asymmetric C-H activation reactions. Lastly, for reaction (iv) the author conducts detailed computational studies on several plausible pathways for Cu/O2 and Cu/TBHP systems and finds a reliable method for calculating the single electron transfer (SET) process on the basis of benchmark studies.

This new edition presents a unified description of these insulators from one to three dimensions based on the modified Dirac equation. It derives a series of solutions of the bound states near the boundary, and describes the current status of these solutions. Readers are introduced to topological invariants and their applications to a variety of systems from one-dimensional polyacetylene, to two-dimensional quantum spin Hall effect and p-wave superconductors, three-dimensional topological insulators and superconductors or superfluids, and topological Weyl semimetals, helping them to better understand this fascinating field. To reflect research advances in topological insulators, several parts of the book have been updated for the second edition, including: Spin-Triplet Superconductors, Superconductivity in Doped Topological Insulators, Detection of Majorana Fermions and so on. In particular, the book features a new chapter on Weyl semimetals, a topic that has attracted considerable attention and has already become a new hotpot of research in the community.

This book reports on the successful implementation of an innovative, miniaturized galvanic cell that offers unprecedented control over and access to ionic transport. It represents a milestone in fundamental studies on the diffusive transport of lithium ions between two atomically thin layers of carbon (graphene), a highly relevant aspect in electrodes for energy and mass storage in the context of batteries. Further, it is a beautiful example of how interdisciplinary work that combines expertise from two very distinct fields can significantly advance science. Machinery and tools common in the study of low-dimensional systems in condensed matter physics are combined with methods routinely employed in electrochemistry to enable truly unique and powerful experiments. The method developed here can easily be generalized and extended to other layered materials as well as other ionic species. Not only the method but also the outcome of its application to Li diffusion and intercalation in bilayer graphene is remarkable. A record chemical diffusion coefficient is demonstrated, exceeding even the diffusion of sodium chloride in water and surpassing any reported value of ion diffusion in single-phase mixed conducting materials. This finding may be indicative of the exceptional properties yet to be discovered in nanoscale derivatives of bulk insertion compounds.

This thesis presents various characteristics of 122-type iron pnictide (FeSC) such as crystal and electronic structure, carrier-doping effect, and impurity-scattering effect, using transport, magnetization, specific heat, single-crystal X-ray diffraction, and optical spectral measurements. Most notably the measurement on the magnetic fluctuation in the material successfully explains already known unusual electronic properties, i.e., superconducting gap symmetry, anisotropy of in-plane resistivity in layered structure, and charge dynamics; and comparing them with those of normal phase, the controversial problems in FeSCs are eventually settled. The thesis provides broad coverage of the physics of FeSCs both in the normal and superconducting phase, and readers therefore benefit from the efficient up-to-date study of FeSCs in this thesis. An additional attraction is the detailed description of the experimental result critical for the controversial problems remaining since the discovery of FeSC in 2008, which helps readers follow up recent developments in superconductor research.

This thesis experimentally demonstrates the much discussed electronic charge-glass states in solids. It focuses on quasi-two-dimensional organic conductors of the -(BEDT-TTF)2X family, which form anisotropic triangular lattices, and examines their electronic properties using various measurements: resistivity, time-resolved electric transport, X-ray diffraction analysis, and nuclear magnetic resonance spectroscopy. The hallmark of the charge glass caused by geometrical frustration of lattice structure for those materials is successfully observed for the first time. The thesis provides new insights into the exotic properties of matter driven by strong electron correlations and crystalline frustration. The introduction enables beginners to understand fundamentals of the charge-glass states and the organic-conductor family -(BEDT-TTF)2X. The comprehensive and detailed descriptions of the experimental demonstration make this a valuable resource.

This book provides microscopic insights into chemical properties of NO on metal surfaces. NO/metal systems have been studied intensively to understand heterogeneous catalysis to detox exhaust NOx gas. The identification and componential analysis of various and mixed chemical species of NO adsorbed onto the surfaces have been significant challenges faced by conventional experimental techniques, such as vibrational spectroscopies. The author investigated "individual" NO molecules on Cu surfaces using low-temperature scanning tunneling microscopy (STM). STM not only provides information on the geometric, electronic, and vibrational properties at the single-molecule level; it is also able to manipulate molecules on surfaces to induce chemical reaction. Exploiting those techniques, the author chemically identified individual NO-related species on the surfaces and discovered new reaction processes for NO reduction, which provides microscopic insights into the catalytic mechanisms. The author also visualized wave functions of electrons in a valence orbital of NO and demonstrated that the wave functions are modified by the formation of covalent bonding or hydrogen bonding. This is, namely, "the visualization of quantum mechanics in real space," which is certainly worth reading. Furthermore, the book demonstrates that direct observation of valence orbitals helps to elucidate the reactivity of molecules adsorbed onto surfaces. This innovative approach to studying molecular properties will contribute to further development of STM and its related methods.

This book is devoted to the characterization of Maillard reaction products using mass spectrometry (MS)-based technologies. The Maillard reaction is a well-known non-enzymatic reaction between reducing sugars and proteins, and one of the most important reactions in food sciences. The authors explore different MS-based technologies to systematically investigate the Maillard reaction from amino acids, peptides and proteins. By using amino acid/peptide-sugar models, the authors also show how reactants, temperature and time affect the Maillard reaction. In this book, readers will learn more about glucosylation, and how it can improve functional properties of food proteins.

This book discusses the development of Fano-based techniques and reveals the characteristic properties of various wave processes by studying interference phenomena. It explains that the interaction of discrete (localized) states with a continuum of propagation modes leads to Fano interference effects in transmission, and explores novel coherent effects such as bound states in the continuum accompanied by collapse of Fano resonance. Originating in atomic physics, Fano resonances have become one of the most appealing phenomena of wave scattering in optics, microwaves, and terahertz techniques. The generation of extremely strong and confined fields at a deep subwavelength scale, far beyond the diffraction limit, plays a central role in modern plasmonics, magnonics, and in photonic and metamaterial structures. Fano resonance effects take advantage of the coupling of these bound states with a continuum of radiative electromagnetic waves. With their unique physical properties and unusual combination of classical and quantum structures, Fano resonances have an application potential in a wide range of fields, from telecommunication to ultrasensitive biosensing, medical instrumentation and data storage. Including contributions by international experts and covering the essential aspects of Fano-resonance effects, including theory, modeling and design, proven and potential applications in practical devices, fabrication, characterization and measurement, this book enables readers to acquire the multifaceted understanding required for these multidisciplinary challenges.

To ensure food quality and safety food, professionals need a knowledge of food composition and characteristics. The analysis of food product is required for quality management throughout the developmental process including the raw materials and ingredients, but food analysis adds processing cost for food industry and consumes time for government agencies. Advances in Noninvasive Food Analysis explores the potential and recent advances in non-invasive food analysis techniques used to ensure food quality and safety. Such cost-reducing and time-saving non-destructive food analysis techniques covered include, Infrared, Raman Spectroscopy, and Nuclear Magnetic Resonance. The book also covers data processing and modelling. Features: Covers the advent of non-invasive, non-destructive methods of food analysis Presents such techniques as near and mid infrared, Raman Spectroscopy, and Nuclear Magnetic Resonance Describes the growing role of nanotechnology in non-invasive food analysis Includes image analysis and data processing and modelling required to sort out the data The prime for this book are food professionals working in industry, control authorities and research organizations that ensure food quality and safety as well as libraries of universities with substantial food science programs, food companies and food producers with research and development departments. Also available in the Contemporary Food Engineering series: Advances in Food Bioproducts, Fermentation Engineering and Bioprocessing Technologies , edited by Monica Lizeth Chavez Gonzalez, Nagamani Balagurusamy, Christobal N. Aguilar (ISBN 9781138544222) Advances in Vinegar Production, edited by Argyro Bekatorou (ISBN 9780815365990) Innovative Technologies in Seafood Processing, edited by Yesim Ozogul (ISBN 9780815366447)

The book reviews the published work on the occurance, distribution, fate, effect, and environmental impact of specific classes of compounds. Essential background information emphasizing practical aspects of various methods with respect to advantages and disadvantages of the published methods is also discussed.

Explores the impact of the latest breakthroughs in cluster SIMS technology

Cluster secondary ion mass spectrometry (SIMS) is a high spatial resolution imaging mass spectrometry technique, which can be used to characterize the three-dimensional chemical structure in complex organic and molecular systems. It works by using a cluster ion source to sputter desorb material from a solid sample surface. Prior to the advent of the cluster source, SIMS was severely limited in its ability to characterize soft samples as a result of damage from the atomic source. Molecular samples were essentially destroyed during analysis, limiting the method's sensitivity and precluding compositional depth profiling. The use of new and emerging cluster ion beam technologies has all but eliminated these limitations, enabling researchers to enter into new fields once considered unattainable by the SIMS method.

With contributions from leading mass spectrometry researchers around the world, "Cluster Secondary Ion Mass Spectrometry: Principles and Applications" describes the latest breakthroughs in instrumentation, and addresses best practices in cluster SIMS analysis. It serves as a compendium of knowledge on organic and polymeric surface and in-depth characterization using cluster ion beams. It covers topics ranging from the fundamentals and theory of cluster SIMS, to the important chemistries behind the success of the technique, as well as the wide-ranging applications of the technology. Examples of subjects covered include: Cluster SIMS theory and modelingCluster ion source types and performance expectationsCluster ion beams for surface analysis experimentsMolecular depth profiling and 3-D analysis with cluster ion beamsSpecialty applications ranging from biological samples analysis to semiconductors/metals analysisFuture challenges and prospects for cluster SIMS

This book is intended to benefit any scientist, ranging from beginning to advanced in level, with plenty of figures to help better understand complex concepts and processes. In addition, each chapter ends with a detailed reference set to the primary literature, facilitating further research into individual topics where desired. "Cluster Secondary Ion Mass Spectrometry: Principles and Applications" is a must-have read for any researcher in the surface analysis and/or imaging mass spectrometry fields.

This book was developed with the goal of providing an easily understood text for those users of the scanning electron microscope (SEM) who have little or no background in the area. The SEM is routinely used to study the surface structure and chemistry of a wide range of biological and synthetic materials at the micrometer to nanometer scale. Ease-of-use, typically facile sample preparation, and straightforward image interpretation, combined with high resolution, high depth of field, and the ability to undertake microchemical and crystallographic analysis, has made scanning electron microscopy one of the most powerful and versatile techniques for characterization today. Indeed, the SEM is a vital tool for the characterization of nanostructured materials and the development of nanotechnology. However, its wide use by professionals with diverse technical backgrounds-including life science, materials science, engineering, forensics, mineralogy, etc., and in various sectors of government, industry, and academia-emphasizes the need for an introductory text providing the basics of effective SEM imaging.A Beginners' Guide to Scanning Electron Microscopy explains instrumentation, operation, image interpretation and sample preparation in a wide ranging yet succinct and practical text, treating the essential theory of specimen-beam interaction and image formation in a manner that can be effortlessly comprehended by the novice SEM user. This book provides a concise and accessible introduction to the essentials of SEM includes a large number of illustrations specifically chosen to aid readers' understanding of key concepts highlights recent advances in instrumentation, imaging and sample preparation techniques offers examples drawn from a variety of applications that appeal to professionals from diverse backgrounds.

This book explores how nuclear magnetic resonance (NMR) spectroscopy may be used for spatial structural elucidation of novel compounds from fungal and synthetic sources. Readers will discover the exciting world of NOE (nuclear Overhauser effect), RDC (residual dipolar coupling) and J-coupling constants, both short- and long range. With emphasis on obtaining structural knowledge from these NMR observables, focus is moved from solving a static 3D structure to solving the structural space inhabited by small organic molecules. The book outlines the development and implementation of two Heteronuclear Multiple Bond Correlation-type NMR experiments, and the 3D structural elucidation of multiple known and novel compounds. In addition, a new method of back-calculating RDCs (allowing for more flexible structures to be investigated), and the synthesis and evaluation of novel chiral alignment media for ab initio determination of absolute stereochemistry of small molecules using RDCs are also included. Challenges that 3D structural generation of small compounds face are also covered in this work.