It is estimated that there are about 10 million organic chemicals known, and about 100,000 new organic compounds are produced each year. Some of these new chemicals are made in the laboratory and some are isolated from natural products. The structural determination of these compounds is the job of the chemist. There are several instrumental techniques used to determine the structures of organic compounds. These include NMR, UV/visible, infrared spectroscopy, mass spectrometry, and X-ray crystallography. Of all the instrumental techniques listed, infrared spectroscopy and mass spectrometry are the two most popular techniques, mainly because they tend to be less expensive and give us the most structural information. This book is an introductory text designed to acquaint undergraduate and graduate students with the basic theory and interpretative techniques of mass spectrometry. Much of the material in this text has been used over a period of several years for teaching courses in materials characterization and chemical analysis. It presents the mass spectra of the major classes of organic compounds and correlates the fragmentation pattern of each spectrum with the structural features of the compound it represents. This has been done for hydrocarbons, organic acids, ketones, aldehydes, esters, anhydrides, phenols, amines, and amides. The text discusses the origin of the fragments, techniques, innovations, and applications in mass spectrometry. It is interspersed with many illustrations, examples, an adequate but not overwhelming bibliography, and problems for students. It will serve as a lecture text for a one-semester course in mass spectrometry or can be used to teach the mass spectra portion of a broader course in material characterization and chemical analysis.

Ambient mass spectrometry-that is the use of mass spec but in the atmospheric environment-has been widely employed in food and environmental analysis. Ambient Mass Spectroscopy Techniques in Food and the Environment presents the theoretical underpinnings of mass spectrometry, and the benefits and pitfalls of ambient mass spectrometry, as well as the latest developments of the technique, in the analysis of food and environmental parameters. It describes methods that enable the detection of surface materials like waxes, alkaloids, flavors, or pesticides by plainly exposing the corresponding items to the ionization region of the interface, without harm to samples. Features: Explains the theoretical aspects of ambient mass spectrometry Describes how to use ambient MS techniques for food safety, authenticity, and traceability screening Lists the benefits of ambient MS in analysis of food and environmental parameters Covers recent developments of ambient MS in analysis of food and environmental parameters The specialized work provides insight to professionals practicing in food and the environment, including food scientists, food engineers, food biotechnologists, chemical engineers, and those working in research labs, universities, and government regulatory agencies.

Given the inherent complexity of food products, most instrumental techniques employed for quality and authenticity evaluation (e.g., chromatographic methods) are time demanding, expensive, and involve a considerable amount of manual labor. Therefore, there has been an increasing interest in simpler, faster, and reliable analytical methods for assessing food quality attributes. Spectroscopic Methods in Food Analysis presents the basic concepts of spectroscopic methods, together with a discussion on the most important applications in food analysis. The determination of product quality and authenticity and the detection of adulteration are major issues in the food industry, causing concern among consumers and special attention among food manufacturers. As such, this book explains why spectroscopic methods have been extensively employed to the analysis of food products as they often require minimal or no sample preparation, provide rapid and on-line analysis, and have the potential to run multiple tests on a single sample (i.e., non-destructive). This book consists of concepts related to food quality and authenticity, that are quite broad, given the different demands of the manufacturer, the consumer, the surveillance and the legislative bodies that ultimately provide healthy and safe products.

"Organic Trace Analysis" presents the basics of trace analysis, from sample preparation to the measurement: Students are introduced to statistical evaluation, quality control technologies, sampling and preparation of organic traces, as well as to enrichment and separation of samples. Spectroscopic techniques as chromatography, capillary electrophoresis, mass spectrometry, and receptor-based bioanalysis are presented in detail.

This book provides an overview of recent developments in experiments probing the fractional quantum Hall (FQH) states of the second Landau level, especially the \nu=5/2 state. It summarizes the state-of-the-art understanding of these FQH states. It furthermore describes how the properties of the FQH states can be probed experimentally, by investigating tunneling and confinement properties. The progress towards the realization of an experiment, allowing to probe the potentially non-Abelian statistics of the quasiparticle excitations at \nu=5/2 is discussed. The book is intended as a reference for graduate students, PostDocs and researchers starting in the field. The experimental part of this book gives practical advice for solving the experimental challenges which researchers studying highly fragile FQH states are faced with.

This thesis reports results of precision mass spectrometry of exotic nuclides as a means of elucidating their structure. The work was performed with the ISOLTRAP spectrometer at CERN's ISOLDE facility. The author furthermore offers an overview of existing techniques used in Penning-trap mass spectrometry and also reports on recent promising developments regarding ISOLTRAP. This eloquently written treatment covers both theory and experiment, and includes a general phenomenological introduction to the nuclear-structure intuition contained in the trends of nuclear binding energies.

This thesis examines various aspects of excess excitation energy dissipation via dynamic changes in molecular structure, vibrational modes and solvation. The computational work is carefully described and the results are compared to experimental data obtained using femtosecond spectroscopy and x-ray scattering. The level of agreement between theory and experiment is impressive and provides both a convincing validation of the method and significant new insights into the chemical dynamics and molecular determinants of the experimental data. Hence, the method presented in the thesis has the potential to become a very important contribution to the rapidly growing field of femtosecond x-ray science, a trend reflected in the several free-electron x-ray lasers (XFELs) currently being built around the world. Light-induced chemical processes are accompanied by molecular motion of electrons and nuclei on the femtosecond time scale. Uncovering these dynamics is central to our understanding of the chemical reaction on a fundamental level. Asmus O. Dohn has implemented a highly efficient QM/MM Direct Dynamics method for predicting the solvation dynamics of transition metal complexes in solution.

This book explores the mechanism of alkali-metal ion/molecule association reaction, surveys the instrumental basis to study its kinetic, and describes the instrumentation to the measurement of alkali-metal ion affinities. The applications of the ion complexation mechanism in the condensed phase in reaction to direct analysis MS are also covered. Other topics include mechanism and reaction rate, experimental and theoretical ion affinities, applications of ion attachment reactions (IAR) to mass spectrometry such as alkali ion CIMS, ion attachment MS and cationization mass spectrometry of ESI, FAB, FD, LD, MALDI and SIMS and topics of IAR-based direct analysis mass spectrometry.

This book presents the latest developments in noncontact atomic force microscopy. It deals with the following outstanding functions and applications that have been obtained with atomic resolution after the publication of volume 2: (1) Pauli repulsive force imaging of molecular structure, (2) Applications of force spectroscopy and force mapping with atomic resolution, (3) Applications of tuning forks, (4) Applications of atomic/molecular manipulation, (5) Applications of magnetic exchange force microscopy, (6) Applications of atomic and molecular imaging in liquids, (7) Applications of combined AFM/STM with atomic resolution, and (8) New technologies in dynamic force microscopy. These results and technologies are now expanding the capacity of the NC-AFM with imaging functions on an atomic scale toward making them characterization and manipulation tools of individual atoms/molecules and nanostructures, with outstanding capability at the level of molecular, atomic, and subatomic resolution. Since the publication of vol. 2 of the book Noncontact Atomic Force Microscopy in 2009 the noncontact atomic force microscope, which can image even insulators with atomic resolution, has achieved remarkable progress. The NC-AFM is now becoming crucial for nanoscience and nanotechnology.

This multi-author contributed volume gives a comprehensive overview of recent progress in various vibrational spectroscopic techniques and chemometric methods and their applications in chemistry, biology and medicine. In order to meet the needs of readers, the book focuses on recent advances in technical development and potential exploitations of the theory, as well as the new applications of vibrational methods to problems of recent general interest that were difficult or even impossible to achieve in the not so distant past. Integrating vibrational spectroscopy and computational approaches serves as a handbook for people performing vibrational spectroscopy followed by chemometric analysis hence both experimental methods as well as procedures of recommended analysis are described. This volume is written for individuals who develop new methodologies and extend these applications to new realms of chemical and medicinal interest.

This is the first volume of textbooks on atomic, molecular and optical physics, aiming at a comprehensive presentation of this highly productive branch of modern physics as an indispensable basis for many areas in physics and chemistry as well as in state of the art bio- and material-sciences. It primarily addresses advanced students (including PhD students), but in a number of selected subject areas the reader is lead up to the frontiers of present research. Thus even the active scientist is addressed. This volume 1 provides the canonical knowledge in atomic physics together with basics of modern spectroscopy. Starting from the fundamentals of quantum physics, the reader is familiarized in well structured chapters step by step with the most important phenomena, models and measuring techniques. The emphasis is always on the experiment and its interpretation, while the necessary theory is introduced from this perspective in a compact and occasionally somewhat heuristic manner, easy to follow even for beginners.

This concise book offers an essential introduction and reference guide for the many newcomers to the field of physics of elemental 2D materials. Silicene and related materials are currently among the most actively studied materials, especially following the first experimental synthesis on substrates in 2012. Accordingly, this primer introduces and reviews the most crucial developments regarding silicene from both theoretical and experimental perspectives. At the same time the reader is guided through the extensive body of relevant foundational literature. The text starts with a brief history of silicene, followed by a comparison of the bonding nature in silicon versus carbon atoms. Here, a simple but robust framework is established to help the reader follow the concepts presented throughout the book. The book then presents the atomic and electronic structure of free-standing silicene, followed by an account of the experimental realization of silicene on substrates. This topic is subsequently developed further to discuss various reconstructions that silicene acquires due to interactions with the substrate and how such effects are mirrored in the electronic properties. Next the book examines the dumbbell structure that is the key to understanding the growth mechanism and atomic structure of multilayer silicene. Last but not least, it addresses similar effects in other elemental 2D materials from group IV (germanene, stanane), group V (phosphorene) and group III (borophene), as well as transition metal dichalcogenides and other compositions, so as to provide a general comparative overview of their electronic properties.

Describes the instruments and initial results of the Fast Imaging Solar Spectrograph (FISS) at the Big Bear Solar Observatory. This collection of papers describes the instrument and initial results obtained from the Fast Imaging Solar Spectrograph (FISS), one of the post-focus instruments of the 1.6 meter New Solar Telescope at the Big Bear Solar Observatory. The FISS primarily aims at investigating structures and dynamics of chromospheric features. This instrument is a dual-band Echelle spectrograph optimized for the simultaneous recording of the H I 656.3 nm band and the Ca II 854.2 nm band. The imaging is done with the fast raster scan realized by the linear motion of a two-mirror scanner, and its quality is determined by the performance of the adaptive optics of the telescope. These papers illustrate the capability of the early FISS observations in the study of chromospheric features. Since the imaging quality has been improved a lot with the advance of the adaptive optics, one can obtain much better data with the current FISS observations. This volume is aimed at graduate students and researchers working in the field of solar physics and space sciences. Originally published in Solar Physics, Vol. 288, Issue 1, 2013, and Vol. 289, Issue 11, 2014.

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.

This thesis addresses fundamental scientific questions such as: How are complex natural products synthesized in vivo? Can we replicate these conditions in a laboratory environment? What is the biological function of such secondary metabolites? What are the biological origins of chirality? These issues are explored in an accessible manner using a multidisciplinary approach spanning chemistry, biology and physics to investigate an interesting family of complex natural products isolated from marine molluscs - the tridachiahydropyrones. The work has achieved: Elegant biomimetic syntheses of a number of the tridachiahydropyrone compounds in vitro using organic synthesis techniques The characterization of the interactions between these compounds and a range of model membrane systems using a series of fluorescence spectroscopic studies The investigation of the antioxidant and photoprotective properties of the compounds by means of biophysical assay techniques The synthesis of tridachiahydropyrone utilizing the model membrane systems as biomimetic reaction media.

The Process Analytical Technology (PAT) initiative aims to move from a paradigm of 'testing quality in' to 'building quality in by design'. It can be defined as the optimal application of process analytical technologies, feedback process control strategies, information management tools, and/or product-process optimization strategies.Recently, there have been significant advances in process sensors and in model-based monitoring and control methodologies, leading to enormous opportunities for improved performance of food manufacturing processes and for the quality of food products with the adoption of PAT. Improvements in process efficiency, reduced product variability, enhanced traceability, process understanding, and decreased risk of contamination are some of the benefits arising from the introduction of a PAT strategy in the food industry. Process Analytical Technology for the Food Industry reviews established and emerging PAT tools with potential application within the food processing industry. The book will also serve as a reference for industry, researchers, educators, and students by providing a comprehensive insight into the objectives, challenges, and benefits of adopting a Process Analytical Technology strategy in the food industry.

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.

Crystals are everywhere, from natural crystals (minerals) through the semiconductors and magnetic materials in electronic devices and computers or piezoelectric resonators at the heart of our quartz watches to electro-optical devices. Understanding them in depth is essential both for pure research and for their applications. This book provides a clear, thorough presentation of their symmetry, both at the microscopic space-group level and the macroscopic point-group level. The implications of the symmetry of crystals for their physical properties are then presented, together with their mathematical description in terms of tensors. The conditions on the symmetry of a crystal for a given property to exist then become clear, as does the symmetry of the property. The geometrical representation of tensor quantities or properties is presented, and its use in determining important relationships emphasized. An original feature of this book is that most chapters include exercises with complete solutions. This allows readers to test and improve their understanding of the material. The intended readership includes undergraduate and graduate students in materials science and materials-related aspects of electrical and optical engineering; researchers involved in the investigation of the physical properties of crystals and the design of applications based on crystal properties such as piezoelectricity, electro-optics, optical activity and all those involved in the characterization of the structural properties of materials.

Practical Materials Characterization covers the most common materials analysis techniques in a single volume. It stands as a quick reference for experienced users, as a learning tool for students, and as a guide for the understanding of typical data interpretation for anyone looking at results from a range of analytical techniques. The book includes analytical methods covering microstructural, surface, morphological, and optical characterization of materials with emphasis on microscopic structural, electronic, biological, and mechanical properties. Many examples in this volume cover cutting-edge technologies such as nanomaterials and life sciences.

Our understanding of the rheological and seismic properties of the Earth's interior relies on interpreting geophysical observations using mineral physics data. The complexity of natural materials complicates these interpretations, but here the key features of such materials in controlling the attenuation of seismic waves are determined by a set of careful experiments. This thesis clearly explains how dynamic mechanical spectroscopy has been used to determine the visco-elastic properties of igneous and sedimentary rocks containing geological fluids. These experiments highlight, for the first time, the importance of mineral and rock microstructures as controls on geophysical properties of solids, particularly near the melting point. The results have impacts in areas ranging from volcanic processes, through the structure of the deep Earth, to fluid-saturated porous media.

This book covers the Resistivity Recovery (RR) technique, underlying its physical principles, performance and problematic. A concise review on the state of the art is provided, showing the advances in radiation modelling, linking both experimental and theoretical fields. The reader will find a data compilation and comparison of up-to-date results obtained from the European Fusion Development Agreement model alloys.

This thesis reports on the development of the first quantum enhanced microscope and on its applications in biological microscopy. The first quantum particle-tracking microscope, described in detail here, represents a pioneering advance in quantum microscopy, which is shown to be a powerful and relevant technique for future applications in science and medicine. The microscope is used to perform the first quantum-enhanced biological measurements -- a central and long-standing goal in the field of quantum measurement. Sub diffraction-limited quantum imaging is achieved, also for the first time, with a scanning probe imaging configuration allowing 10-nanometer resolution.

This volume collects a a number of contributions on spontaneous symmetry breaking. Current studies in this general field are going ahead at a full speed. The book present review chapters which give an overview on the major break throughs of recent years. It covers a number of different physical settings which are introduced when a nonlinearity is added to the underlying symmetric problems and its strength exceeds a certain critical value. The corresponding loss of symmetry, called spontaneous symmetry breaking, alias self-trapping into asymmetric states is extensively discussed in this book. The book presents both active theoretical studies of spontaneous symmetry breaking effects as well as experimental findings, chiefly for Bose-Einstein-Condensates with the self-repulsive nonlinearity, and also for photorefractive media in optics.

This book presents the fundamentals and applications of Matrix Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry (MALDI-ToF-MS) technique. It highlights the basic principles, the history of invention as well as the mechanism of ionization and mass determination using this technique. It describes the fundamental principles and methods for MALDI spectra interpretation and determination of exact chemical structures from experimental data. This book guides the reader through the interpretation of MALDI data where complex macromolecular spectra are simplified in order to present the major principles behind data interpretation. In addition, each chapter describes how MALDI-ToF-MS analysis provides necessary understanding of the copolymer systems that have been designed for specialized biomedical applications.

The application of molecules in technological devices hinges on the proper understanding of their behavior on metallic electrodes or substrates. The intrinsic molecular electronic and magnetic properties are modified at a metallic interface, and greatly depend on the atomic configuration of the molecule-metal bond. This poses certain problems, such as the lack of reproducibility in the transport properties of molecular junctions, but also offers the possibility to induce new charge and spin configurations that are only present at the interface. The results presented in this thesis address this issue, providing a comprehensive overview of the influence of molecule-metal and molecule-molecule interactions on the electronic and magnetic properties of molecules adsorbed on metallic substrates. Using metal-phthalocyanines (MePc), a commonly used metal-organic complex as a model system, each chapter explores different aspects of the interaction with silver surfaces: the local adsorption geometry, self-assembly, the modifications of the electronic and magnetic characteristics due to hybridization and charge transfer, and finally the manipulation of molecular charge and spin states by electron doping using alkali atoms moved with the STM tip.