This book is an introduction to a rapidly developing field of modern theoretical physics - the theory of quantum transport at nanoscale. The theoretical methods considered in the book are in the basis of our understanding of charge, spin and heat transport in nanostructures and nanostructured materials and are widely used in nanoelectronics, molecular electronics, spin-dependent electronics (spintronics) and bio-electronics. The book is based on lectures for graduate and post-graduate students at the University of Regensburg and the Technische Universitat Dresden (TU Dresden). The first part is devoted to the basic concepts of quantum transport: Landauer-Buttiker method and matrix Green function formalism for coherent transport, Tunneling (Transfer) Hamiltonian and master equation methods for tunneling, Coulomb blockade, vibrons and polarons. The results in this part are obtained as possible without sophisticated techniques, such as nonequilibrium Green functions, which are considered in detail in the second part. A general introduction into the nonequilibrium Green function theory is given. The approach based on the equation-of-motion technique, as well as more sophisticated one based on the Dyson-Keldysh diagrammatic technique are presented. The main attention is paid to the theoretical methods able to describe the nonequilibrium (at finite voltage) electron transport through interacting nanosystems, specifically the correlation effects due to electron-electron and electron-vibron interactions.

This book provides a general formalism for the calculation of the spectral correlation function for the fluctuating electromagnetic field. The procedure is applied to the radiative heat transfer and the van der Waals friction using both the semi-classical theory of the fluctuating electromagnetic field and quantum field theory. Applications of the radiative heat transfer and non-contact friction to scanning probe spectroscopy are presented. The theory gives a tentative explanation for the experimental non-contact friction data. The book explains that radiative heat transfer and the van der Waals friction are largely enhanced at short separations between the bodies due to the evanescent electromagnetic waves. Particular strong enhancement occurs if the surfaces of the bodies can support localized surface modes like surface plasmons, surface polaritons or adsorbate vibrational modes. An electromagnetic field outside a moving body can also be created by static charges which are always present on the surface of the body due to inhomogeneities, or due to a bias voltage. This electromagnetic field produces electrostatic friction which can be significantly enhanced if on the surface of the body there is a 2D electron or hole system or an incommensurate adsorbed layer of ions exhibiting acoustic vibrations.

In recent years technological advances in synchrotron and neutron sources, detectors, and computer hardware and software have allowed diffraction techniques to advance to a stage where data can be collected on a system with time. In this book for the first time reviews and research articles are brought together covering the three branches of time-resolved diffraction X-ray, electron and neutron field, each being allocated a separate section of the book. Time-Resolved Diffraction covers all forms of matter (i.e. gases, liquids, amorphous solids, fibres and crystals) and does so within a multidisciplinary framework which takes in examples from molecular biology and chemistry, as well as techniques from physics and materials science. The time range of data collection covers ten orders, from the sub-pico domain at the quickest, to the kilosecond at the slowest. Research scientists and postgraduates will find this book most useful as it is the only work available to provide an exposition of all areas of this developing field.

The many-body-theoretical basis and applications of theoretical spectroscopy of condensed matter, e.g. crystals, nanosystems, and molecules are unified in one advanced text for readers from graduate students to active researchers in the field. The theory is developed from first principles including fully the electron-electron interaction and spin interactions. It is based on the many-body perturbation theory, a quantum-field-theoretical description, and Green's functions. The important expressions for ground states as well as electronic single-particle and pair excitations are explained. Based on single-particle and two-particle Green's functions, the Dyson and Bethe-Salpeter equations are derived. They are applied to calculate spectral and response functions. Important spectra are those which can be measured using photoemission/inverse photoemission, optical spectroscopy, and electron energy loss/inelastic X-ray spectroscopy. Important approximations are derived and discussed in the light of selected computational and experimental results. Some numerical implementations available in well-known computer codes are critically discussed. The book is divided into four parts: (i) In the first part the many-electron systems are described in the framework of the quantum-field theory. The electron spin and the spin-orbit interaction are taken into account. Sum rules are derived. (ii) The second part is mainly related to the ground state of electronic systems. The total energy is treated within the density functional theory. The most important approximations for exchange and correlation are delighted. (iii) The third part is essentially devoted to the description of charged electronic excitations such as electrons and holes. Central approximations as Hedin's GW and the T-matrix approximation are discussed.(iv) The fourth part is focused on response functions measured in optical and loss spectroscopies and neutral pair or collective excitations.

Authored by many of the world's leading experts on high-Tc superconductivity, this volume presents a panorama of ongoing research in the field, as well as insights into related multifunctional materials. The contributions cover many different and complementary aspects of the physics and materials challenges, with an emphasis on superconducting materials that have emerged since the discovery of the cuprate superconductors, for example pnictides, MgB2, H2S and other hydrides. Special attention is also paid to interface superconductivity. In addition to superconductors, the volume also addresses materials related to polar and multifunctional ground states, another class of materials that owes its discovery to Prof. Muller's ground-breaking research on SrTiO3.

This informative book offers a wide range of knowledge on the technologies and applications of the cutting-edge field of high-resolution mass spectrometry (HRMS) in different areas of analysis. HRMS has changed the nature of experimentation and investigation in so many analytical realms. Determining exact mass determination, high resolution, and specificity-via the special features provided by HRMS instruments-is now possible for determining the composition of the analyte of interest, both qualitatively and quantitatively. High-Resolution Mass Spectrometry and Its Diverse Applications: Cutting-Edge Techniques and Instrumentation begins with an overview of the basic instrumentation techniques and goes on to present research on diverse new uses of HRMS in clinical testing, such as for therapeutic drug designing, discovery, and development; in forensic studies and investigations; in quality management systems; for analysis of pesticides; for analysis of single cells; in analysis of fossil fuels; for use in space and planetary science; and more. Chapters relay how HRMS plays an important role in the structure elucidation and unknown determination in many fields and is a great measure to be used for quantitative analyses. The book considers how these properties make the technique a strong aid in many areas. This volume highlights how HRMS can be a useful tool for scientists and researchers, faculty and students, and industry professionals in many scientific areas of study.

The authoritative guide to analyzing protein interactions by mass spectrometry
Mass spectrometry (MS) is playing an increasingly important role in the study of protein interactions. Mass Spectrometry of Protein Interactionspresents timely and definitive discussions of the diverse range of approaches for studying protein interactions by mass spectrometry with an extensive set of references to the primary literature. Each chapter is written by authors or teams of authors who are international authorities in their fields. This leading reference text:
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Discusses the direct detection of protein interactions through electrospray ionization (ESI-MS); ion mobility analysis; and matrix-assisted laser desorption/ionization (MALDI-MS)
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Covers the indirect analysis of protein interactions through hydrogen-deuterium exchange (HX-MS); limited proteolysis; cross-linking; and radial probe (RP-MS)
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Guides researchers in the use of mass spectrometry in structural biology, biochemistry, and protein science to map and define the huge number and diversity of protein interactions
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Reviews the latest discoveries and applications and addresses new and ongoing challenges
This is a comprehensive reference for researchers in academia and industry engaged in studies of protein interactions and an excellent text for graduate and postgraduate students.

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.

The aim of this book is to provide an introduction to all those who wish to use the complementary spectroscopic techniques of optical activity (circular dichroism, CD) and optical anisotropy (linear dichroism, LD) for the study of the structure of molecules and interactions between molecules in solution. The emphasis of the book is on what the techniques are and how to use them for both low and high molecular weight molecules. It is intended to be an easy guide to what a prospective user of CD needs to know and explains how LD is not merely an exotic technique only to be practised by experienced spectroscopists, but may be routinely and usefully employed as an aid to molecular structure determination.

Circular Dichroism and Linear Dichroism is the first book that is an easy, directly applicable manual to the use and interpretation of both CD and LD. It will be of use to both novices and experienced researchers in the field.

This thesis presents a series of experimental techniques based on scanning probe microscopy, which make it possible access the degree of freedom of protons both in real and energy space. These novel techniques and methods allow direct visualization of the concerted quantum tunneling of protons within the hydrogen-bonded network and quantification of the quantum component of a single hydrogen bond at a water-solid interface for the first time. Furthermore, the thesis demonstrates that the anharmonic quantum fluctuations of hydrogen nuclei further weaken the weak hydrogen bonds and strengthen the strong ones. However, this trend was reversed when the hydrogen bond coupled to the local environment. These pioneering findings substantially advance our understanding of the quantum nature of H bonds at the molecular level.

Applications of Mass Spectrometry Imaging to Cancer, the latest volume in the Advances in Cancer Research provides invaluable information on the exciting and fast-moving field of cancer research. This volume presents original reviews on applications of mass spectrometry imaging to cancer.

The authors travel with the reader through the challenging maze of structure determination, showing how to distinguish between valuable and deceiving data from IR, NMR and MS spectra, extracting structural conclusions and putting all the pieces together to solve the structure elucidation puzzle. Indeed, human reasoning is key to combining the information contained in those bands, signals and peaks by a rationale that enables the makeup of a chemical structure. A number of increasingly more complex problems will act as trip segments and, in addition to the spectra themselves, each chapter is supplemented with figures and tables that decipher the above data and serve as maps for the journey.

This book demonstrates the potential of novel in-situ experiments, performed on microscopic and macroscopic length scales, for investigating localized deformation processes in metallic materials, particularly their kinetics and the associated evolution of local strain fields. It features a broad methodological portfolio, spanning optical and electron microscopy, digital image correlation, infrared theromgraphy and acoustic emission testing, and particularly focuses on identifying the localized microscopic deformation processes in high-strength/high-ductility CrMnNi TRIP/TWIP (TRansformation Induced Plasticity/TWinning Induced Plasticity) steels. Presenting state-of-the art methodology applied to topical and pertinent problems in materials engineering, this book is a valuable resource for researchers and graduate students working in the field of plasticity and deformation of structural materials.

This book provides an in-depth understanding of molecular recognition mechanisms in designing chromatographical processes for separations. The title explains the importance of chemistry in chromatography and molecule-molecule interaction mechanisms and extends the concepts of separation to isomers and chiral isomers.
"Chromatographic Separations Based on Molecular Recognition" discusses the theoretical interpretations of chromatographic retention processes, explains the molecular recognition concept for the separation of various isomers, and provides a foundation in separation science which will lead to a better grasp of other chemical fields and simplify the design and synthesis of novel stationary phases.

Analytical pyrolysis allows scientists to use routine laboratory instrumentation for analyzing complex, opaque, or insoluble samples more effectively than other analytical techniques alone. Analytical Pyrolysis Handbook, Third Edition is a practical guide to the application of pyrolysis techniques to various samples and sample types for a diversity of fields including microbiology, forensic science, industrial research, and environmental analysis. The much-anticipated third edition incorporates recent technological advances that increase the technique's sensitivity to trace elements, improve its reproducibility, and expand its applicability. The book reviews the types of instrumentation available to perform pyrolysis and offers guidance for interfacing instruments and integrating other analytical techniques, including gas chromatography and mass spectrometry. Fully updated with new sample pyrograms, figures, references, and real-world examples, this edition also highlights new areas of application including cultural materials, forensic analysis, and environmental studies. This book illustrates how the latest advances make pyrolysis a practical, cost-effective, reliable, and flexible alternative for increasingly complex sample analyses. Analytical Pyrolysis Handbook, Third Edition is an essential, one-stop guide for determining if pyrolysis meets application-specific needs as well as performing pyrolysis and handling the data obtained.

This is the first book to present the principles of operation of both the Paul and Penning ion traps - powerful experimental devices in which charged particles can be confined indefinitely in a small region of space so that experiments may be performed on them. This new and exciting method has applications not only in atomic physics, frequency standards, and collisional studies, but also in analytical mass spectrometry, making this book highly relevant not only to physicists but also to chemists. Written by a leading authority in the field, it is unique in bringing together detailed information on these two traps, and contains outstanding an outstanding bibliography which provides an historical overview to the development of the field.

This book summarizes the results of years of research on the problem of strength and fracture of polymers and elastomers. It sets out the modern approach to the strength theory from the standpoint of fractals, the kinetic and thermodynamic theories as well as the meso-mechanic destruction. The dimension reduction method is applied to model the friction processes in elastomers subjected to the complex dynamic loading. Finally, it analyses a relation between the fracture mechanism and the relation phenomena, and provides new experimental data on the sealing nodes in accordance with their specific working conditions where the effect of self-sealing is observed.

This volume highlights the potentials as well as the limits and challenges of human breath analysis and describes the current efforts made to advance this promising technology from bench to bed. Human breath analysis is a young, interdisciplinary and innovative research field aiming to provide a smart and non-invasive diagnostic tool, which can be used for screening, detecting and monitoring of diseases or metabolic disorders. This book presents different approaches for breath analysis including real-time and offline mass spectrometry as well as optical and semiconductor gas sensing methods. Besides, the role of smart algorithms to improve the performance of those technologies and the importance of pulmonary function diagnostics for more reliable and meaningful breath analysis are highlighted. Finally, current application scenarios and future perspectives of breath analysis and pulmonary functioning tests are addressed. The volume is useful for researchers, who are new in the field, to easily get an overview of the current status and the challenges present in human breath analysis. Topics from fundamental research over targeted sensor development and application scenarios are described. Thus, this volume covers all development stages providing support and inspiration for engineers, medical doctors and scientists from various fields.

This monograph offers an overview of rigorous results on fermionic topological insulators from the complex classes, namely, those without symmetries or with just a chiral symmetry. Particular focus is on the stability of the topological invariants in the presence of strong disorder, on the interplay between the bulk and boundary invariants and on their dependence on magnetic fields. The first part presents motivating examples and the conjectures put forward by the physics community, together with a brief review of the experimental achievements. The second part develops an operator algebraic approach for the study of disordered topological insulators. This leads naturally to the use of analytical tools from K-theory and non-commutative geometry, such as cyclic cohomology, quantized calculus with Fredholm modules and index pairings. New results include a generalized Streda formula and a proof of the delocalized nature of surface states in topological insulators with non-trivial invariants. The concluding chapter connects the invariants to measurable quantities and thus presents a refined physical characterization of the complex topological insulators. This book is intended for advanced students in mathematical physics and researchers alike.

Annual Reports on NMR Spectroscopy provides a thorough and in-depth accounting of progress in nuclear magnetic resonance (NMR) spectroscopy and its many applications. Nuclear magnetic resonance (NMR) is an analytical tool used by chemists and physicists to study the structure and dynamics of molecules. In recent years, no other technique has gained as much significance as NMR spectroscopy. It is used in all branches of science in which precise structural determination is required, and in which the nature of interactions and reactions in solution is being studied. This book has established itself as a premier means for both specialists and non-specialists who are looking to become familiar with new techniques and applications pertaining to NMR spectroscopy.

Multidimensional NMR in Liquids offers a lucid treatment of basic NMR phenomena, building up to today's most sophisticated NMR experiments from first principles. Using easy-to-grasp product-operator formalism, diagrams, and practical examples, one-, two-, and N-dimensional NMR experiments are explained with minimal recourse to quantum mechanics. Separate theoretical sections are provided for readers interested in spin-quantum mechanics, as are the appendices providing theoretical backgrounds in linear algebra, quantum mechanics, and angular momentum.
Following a systematic and rigorous description of all important 2D experiments (including the applications of pulsed field gradients), up-to-date coverage is given of three-dimensional and four-dimensional homo- and heteronuclear NMR experiments. The book provides original descriptions of complicated topics such as strong coupling, decoupling, and cross-polarization. The final chapter presents the basic concepts of relaxation, followed by an introduction to density operator relaxation theory.
Multidimensional NMR in Liquids is intended for chemists, biochemists, and others interested in studying molecular structure and dynamics with NMR spectroscopy. It also is suitable for use as a text in advanced undergraduate and graduate courses in NMR.

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 second of two independent volumes, Part B: Applications contains specific experimental and theoretical results on the electronic states of molecules containing very heavy atoms as well as their spectroscopic properties and electronic structures. The first one-volume catalog of comprehensive computational results, Part B details:

• the relativistic effects on the electronic structure of transition metal clusters, such as the Cu, Ag, and Au triad
• the electronic structure of open-shell transition metal clusters such as Rh3 and Ir3
• the electronic and spectroscopic properties of heteronuclear diatomics of main group p-block elements from Ga to Po, especially the diatomic hydrides, halides, and chalconides
• the clusters of the very heavy main group p-block elements from Ga to Po
• the relativistic effects on molecules containing lanthanide and actinide atoms, including metals inside fullerenes.

An extraordinary new examination of Periodic Table elements, Part B of Relativistic Effects in Chemistry is also evidence of the enduring influence of Einstein's revolutionary theory.

This book addresses the basic understanding of food contaminants and their sources, followed by the techniques to measure food safety and quality. It is divided into four parts: Part A - sources of contaminants in foods, their associated health risks, and integrated management and alternative options to minimize contaminants; Part B - Technological assessment of conventional methods and selected advanced methods for the detection, identification and enumeration of microbial contaminates; Part C - Technological assessment of different chemical measurements techniques; and Part D - Technological assessment of different instrumental techniques to assess sensory properties of foods. Food safety is a growing concern due to the increase in food-borne illnesses caused by food adulteration, excessive use of pesticides, use of chemical preservatives and artificial fruit ripening agents, microbial contaminations, and improper food handling. Chemical contaminants in food could be transferred from environmental or agrochemical sources, personal care products, and other by-products of water disinfects. In addition, microbial food safety can be threatened due to the presence of many pathogens, such as Salmonella, Escherichia coli, Clostridium botulinum, Staphylococcus aureus, and Listeria monocytogenes in foods. Globally, strict regulations are imposed to limit the potential contaminants in foods. Development of accurate, rapid, and inexpensive approaches to test food contamination and adulteration would be highly valued to ensure global food safety. There are existing processes to ensure safety of food products from chemical and microbial contaminants. Apart from the existing measurement technologies, varieties of new techniques are also being emerged and these could be potential to ensure food safety and quality. In addition to chemical and microbial properties, sensory properties such as texture, mouth feel, flavor, and taste, are among the most important attributes of food products to ensure their acceptability by consumers. Two approaches are available to evaluate sensory properties of food products, namely subjective and objective analyses. The responses are perceived by all five senses: smell, taste, sight, touch, and hearing. The approach used in sensory evaluation varies depending on the types of foods and the ultimate goal of the testing. Sensory attributes are the most important quality parameters after ensuring the safety of foods.

The 6th International Conference on Laser Probing (LAP2012) had been held in Paris at the Institut Henri Poincare. It highlighted the state of the art in Laser Probing and reinforced the common ground and synergies among the different actors in the field. The Institut de Physique Nucleaire d Orsay and the Grand Accelerateur National d Ions Lourds in Caen had been in charge of the organization of this event, co-sponsored by the Institut National de Physique Nucleaire et de Physique des Particules (IN2P3) and the Laboratory Physique des 2 Infinis et des Origines (P2IO).
Previously published as special issue of Hyperfine Interactions, vol. 216, 1-3."

This book explains the operating principles of atomic force microscopy with the aim of enabling the reader to operate a scanning probe microscope successfully and understand the data obtained with the microscope. This enhanced second edition to "Scanning Probe Microscopy" (Springer, 2015) represents a substantial extension and revision to the part on atomic force microscopy of the previous book. Covering both fundamental and important technical aspects of atomic force microscopy, this book concentrates on the principles the methods using a didactic approach in an easily digestible manner. While primarily aimed at graduate students in physics, materials science, chemistry, nanoscience and engineering, this book is also useful for professionals and newcomers in the field, and is an ideal reference book in any atomic force microscopy lab.