Spectroscopic Techniques and Hindered Molecular Motion presents a united, theoretical approach to studying classical local thermal motion of small molecules and molecular fragments in crystals by spectroscopic techniques. Mono- and polycrystalline case studies demonstrate performance validity. The book focuses on small molecules and molecular fragments, such as N2, HCl, CO2, CH4, H2O, NH4, BeF4, NH3, CH2, CH3, C6H6, SF6, and other symmetrical atomic formations, which exhibit local hindered motion in molecular condensed media: molecular and ionic crystals, molecular liquids, liquid crystals, polymeric solids, and biological objects. It reviews the state of studying the hindered molecular motion (HMM) phenomenon and the experimental works on the basis of the latest theoretical research. Case Studies Physical models of hindered molecular motion General solution of the stochastic problem for the hindered molecular motion in crystals Formulae of the angular autocorrelation function symmetrized on the crystallographic point symmetry groups Formulae of the spectral line shapes concerning the dielectric, infrared, Raman, nuclear magnetic relaxation, and neutron scattering spectroscopy in the presence of the hindered molecular motion Experimental probation of the theoretical outcomes Proton relaxation in three-atomic molecular fragments undergoing axial symmetry hindered motion Structural distortion in the ordered phase of crystalline ammonium chloride Organic compounds, polymers, pharmaceutical products, and biological systems consist of the molecular fragments, which possess rotational or conformational degrees of freedom or an atomic exchange within the fragme

Stimulated by the increasing importance of chiral molecules as pharmaceuticals and the need for enantiomerically pure drugs, techniques in chiral chemistry have been expanded and refined, especially in the areas of chromatography, asymmetric synthesis, and spectroscopic methods for chiral molecule structural characterization. In addition to synthetic chiral molecules, naturally occurring molecules, which are invariably chiral and generally enantiomerically enriched, are of potential interest as leads for new drugs. VCD Spectroscopy for Organic Chemists discusses the applications of vibrational circular dichroism (VCD) spectroscopy to the structural characterization of chiral organic molecules. The book provides all of the information about VCD spectroscopy that an organic chemist needs in order to make use of the technique. The authors, experts responsible for much of the existing literature in this field, discuss the experimental measurement of VCD and the theoretical prediction of VCD. In addition, they evaluate the advantages and limitations of the technique in determining molecular structure. Given the availability of commercial VCD instrumentation and quantum chemistry software, it became possible in the late 1990s for chemists to use VCD in elucidating the stereochemistries of chiral organic molecules. This book helps organic chemists become more aware of the utility of VCD spectroscopy and provides them with sufficient knowledge to incorporate the technique into their own research.

Covers the Fundamentals of Chiral Separation, Available Chiral Selectors, and Numerous Applications of Chiral Separation by Capillary Electrophoresis Since the 1980s, modern analytical tools have enabled capillary electrophoresis to become a standard part of the chemist's toolkit. With contributions from international experts, Chiral Separations by Capillary Electrophoresis provides a general overview of the principles of chiral separation by capillary electrophoresis and the different chiral selectors available. The book discusses the most important as well as several new chiral selectors used in capillary electrophoresis. It reviews recent pharmaceutical and biomedical applications and explores novel techniques, such as capillary electrophoresis coupled to mass spectrometry and microchip technology. The book also examines the quantitative aspects of capillary electrophoresis, the possibilities of capillary electrochromatography, and the various chiral columns available. Capillary electrophoresis has proven to be an effective tool for chiral separation. This book explains how this technique can be used in the separation of molecules, offering insight into both existing and emerging applications.

Over the past decade, a myriad of techniques have shown that solid-state nuclear magnetic resonance (NMR) can be used in a broad spectrum of applications with exceptionally impressive results. Solid-state NMR results can yield high-resolution details on the structure and function of many important biological solids, including viruses, fibril-forming molecules, and molecules embedded in the cell membrane. Filling a void in the current literature, NMR Spectroscopy of Biological Solids examines all the recent developments, implementation, and interpretation of solid-state NMR experiments and the advantages of applying them to biological systems. The book emphasizes how these techniques can be used to realize the structure of non-crystalline systems of any size. It explains how these isotropic and anisotropic couplings interactions are used to determine atomic-level structures of biological molecules in a non-soluble state and extrapolate the three-dimensional structure of membrane proteins using magic-angle spinning (MAS). The book also focuses on the use of multidimensional solid-state NMR methods in the study of aligned systems to provide basic information about the mechanisms of action of a variety of biologically active molecules. Addressing principles, methods, and applications, this book provides a critical selection of solid-state NMR methods for solving a wide range of practical problems that arise in both academic and industrial research of biomolecules in the solid state. NMR Spectroscopy of Biological Solids is a forward-thinking resource for students and researchers in analytical chemistry, bioengineering, material sciences, and structural genomics.

This book is an essential reference guide to spectroscopic, physical and biological activity data of over 3500 steroid glycosides, offering the structures and the data of the naturally occurring glycosides of steroids. All compounds are arranged according to the structure of the aglycone, and, in its own class, by the increasing molecular weight, making Spectroscopic Data of Steroid Glycosides extremely useful for the structure elucidation of new natural products, particularly glycosides.

This volume on Ultrafast Magnetism is a collection of articles presented at the international "Ultrafast Magnetization Conference" held at the Congress Center in Strasbourg, France, from October 28th to November 1st, 2013. This first conference, which is intended to be held every two years, received a wonderful attendance and gathered scientists from 27 countries in the field of Femtomagnetism, encompassing many theoretical and experimental research subjects related to the spins dynamics in bulk or nanostructured materials. The participants appreciated this unique opportunity for discussing new ideas and debating on various physical interpretations of the reported phenomena. The format of a single session with many oral contributions as well as extensive time for poster presentations allowed researchers to have a detailed overview of the field. Importantly, one could sense that, in addition to studying fundamental magnetic phenomena, ultrafast magnetism has entered in a phase where applied physics and engineering are playing an important role. Several devices are being proposed with exciting R&D perspectives in the near future, in particular for magnetic recording, time resolved magnetic imaging and spin polarized transport, therefore establishing connections between various aspects of modern magnetism. Simultaneously, the diversity of techniques and experimental configurations has flourished during the past years, employing in particular Xrays, visible, infra-red and terahertz radiations. It was also obvious that an important effort is being made for tracking the dynamics of spins and magnetic domains at the nanometer scale, opening the pathway to exciting future developments. The concerted efforts between theoretical and experimental approaches for explaining the dynamical behaviors of angular momentum and energy levels, on different classes of magnetic materials, are worth pointing out. Finally it was unanimously recognized that the quality of the scientific oral and poster presentations contributed to bring the conference to a very high international standard.

This volume details the principles and instrumentation of gas chromatography-mass spectrometry (CG-MS), and outlines industrial, environmental, pharmaceutical, clinical, toxicological, forensic and food-related applications, revealing findings from the laboratories of 40 contributing scientists around the world using GC-MS in practice. It describes upstream and downstream applications of GC-MS in the petroleum industry and identifies chlorinated compounds in the environment with quadrupole ion-trap technology and high-resolution sector instruments.

Shows how to choose the most effective techniques for assessing the toxicity of chemicals in both food and the environment. examines a wide range of volatile compounds from toxic aldehydes and pesticides to micotoxins and dioxins.

This work provides a clear presentation of the chromatographic process - demonstrating the functions of all associated instrumentation and the procedures necessary to obtain accurate qualitative and quantitative results. The work supplies a host of applications from a variety of sources to help identify the best equipment, the most appropriate columns and the most suitable phase systems for specific samples.

Optical Spectroscopy of Lanthanides: Magnetic and Hyperfine Interactions represents the sixth and final book by the late Brian Wybourne, an accomplished pioneer in the spectroscopy of rare earth ions, and Lidia Smentek, a leading theoretical physicist in the field. The book provides a definitive and up-to-date theoretical description of spectroscopic properties of lanthanides doped in various materials. The book integrates computer-assisted calculations developed since Wybourne's classic publication on the topic. It contains useful Maple (TM) routines, discussions, and new aspects of the theory of f-electron systems. Establishing a unified basis for understanding state-of-the-art applications and techniques used in the field, the book reviews fundamentals based on Wybourne's graduate lectures, which include the theory of nuclei, the theory of angular momentum, Racah algebra, and effective tensor operators. It then describes magnetic and hyperfine interactions and their impact on the energy structure and transition amplitudes of the lanthanide ions. The text culminates with a relativistic description of f f electric and magnetic dipole transitions, covering sensitized luminescence and a new parametrization scheme of f-spectra. Optical Spectroscopy of Lanthanides enables scientists to construct accurate and reliable theoretical models to elucidate lanthanides and their properties. This text is ideal for exploring a range of lanthanide applications including electronic data storage, lasers, superconductors, medicine, nuclear engineering, and nanomaterials.

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.

Selecting illustrative examples from the recent literature, this reference studies the underlying principles and physics of a wide range of spectroscopic techniques utilized in the pharmaceutical sciences and demonstrates various applications for each method analyzed in the text-showing how knowledge of the mechanisms of spectroscopic phenomena may facilitate more advanced technologies in the field.

Advances in Chromatography is a venerable series that has reported on the latest state-of-the-art developments in the field for the past four decades. The newest installment, Volume 49, continues the tradition of compiling the work of expert contributors who present timely and cutting edge reviews of current and emerging methods and applications in this dynamic field. Highlights in this edition include: The hyphenation of liquid chromatography with mass spectrometry in order to determine oligonucleotide adducts as markers for cancer Glycoproteomics and the glycosylation of proteins, addressing biomarkers in different types of diseases Chiral separation, an important area particularly in the pharmaceutical industry, where the technique has been applied with varying results Ion-pairing chromatography and analyte retention Conveying the most recent significant scientific developments in separation science, the book and its series are known for the authors' clear presentation of topics and vivid illustrations. Accessible and engaging, this volume forms a solid foundation for the work of biochemists and analytical, organic, polymer, and pharmaceutical chemists at all levels of technical skill. Meticulously referenced, it will help fuel further research across a range of fields.

The first edition of this now classic work helped to establish mass spectrometry as the premier tool for drug metabolism studies. Completely rewritten from start to finish, Using Mass Spectrometry for Drug Metabolism Studies, Second Edition brings medicinal chemists and mass spectrometry professionals up to speed with the rapid advances in the field, the emergence of cutting-edge approaches, and ways to meet steadily increasing vendor demands. Written by international scientists who are experts in their respective disciplines, this state-of-the-art reference effectively encapsulates current mass spectrometry best practices. The stand-alone chapters cover various topics - from metabolite identification to fast chromatography with UPLC - and in a style that is understandable to experts and field newcomers alike. The second edition of this bestseller includes coverage of new instrumentation and software as well as a wealth of updated information on the latest findings surrounding biomarkers and metabolomics and new chapters on both UPLC and DESI/DART. With more than 180 illustrations and an eight-page color insert, this valuable reference explores multiple modern mass spectrometry techniques and strategies. It includes an excellent overview of the entire drug discovery process plus the latest developments on how mass spectrometry is used to support this endeavor.

Written by leading international experts in academia and industry, Advances in Chromatography, Volume 46 presents all new chapters with thorough reviews on the latest developments in the field. Volume 46 includes new advances in two-dimensional gas chromatography, reversed phase liquid chromatography/shape selectivity, and supercritical fluid chromatography. The book highlights enantioselective separations with emphasis on chiral recognition mechanisms, screening approaches, and separation speed. It also emphasizes hyphenated techniques and enhanced fluidity chromatography with emphasis on monolithic organo-silica hybrid columns. This volume provides an excellent starting point for gaining quick knowledge to the field of separation science.

A teaching tool intended to complement existing books on the theory of materials science, metallurgy, and electron microscopy, this text focuses on metals and alloys. It visualizes key structural elements common to crystalline materials, including crystal lattice imperfections, along with the principles and steps involved in the microstructure development in metallic materials under external influences. Designed as an atlas, Microstructure of Metals and Alloys contains a collection of carefully selected original transmission electron microscope (TEM) micrographs taken by the authors. These images demonstrate typical crystal lattice defects, elements of the microstructure of metals and alloys, and the basic processes occurring to the crystal structure during plastic deformation, polygonization, recrystallization, and rapid solidification. The book is organized into six chapters. Each deals with a particular problem in the field of physical metallurgy, and begins with a description of the basic concept and terms. These descriptions enable readers to achieve a better understanding of the essential issues relevant to specific challenges. Providing comprehensive, illustrative coverage of the basic topics in materials science, this important work emphasizes fundamental principles over specific materials, in a manner that is fully consistent with the contemporary tendency in materials science teaching.

The Ion Exchange and Solvent Extraction series treats ion exchange and solvent extraction both as discrete topics and as a unified, multidisciplinary study - presenting new insights for researchers in many chemical and related field. Containing current knowledge and results in ion exchange, this text: presents an overview of the chemical thermodynamics of cation-exchange reactions, with particular emphasis placed on liquid-phase- and solid-phase-activity coefficient models; describes the development of surface complexation theory and its application to the ion exchange phenomenon; discusses metal-natural colloid surface reactions and their consideration by surface complexation modelling complements; and covers the influence of humic substances on the uptake of metal ions by naturally occurring materials.

The state-of-the-art of quantum transport and quantum kinetics in semiconductors, plus the latest applications, are covered in this monograph. Since the publishing of the first edition in 1996, the nonequilibrium Green function technique has been applied to a large number of new research topics, and the revised edition introduces the reader to many of these areas. This book is both a reference work for researchers and a self-tutorial for graduate students.

This book gives physical chemists a broader view of potential biological applications of their techniques for the study of nucleic acids in the gas phase. It provides organic chemists, biophysicists, and pharmacologists with an introduction to new techniques they can use to find the answers to yet unsolved questions. Laboratory sciences have bloomed with a variety of techniques to decipher the properties of the molecules of life. This volume introduces techniques used to investigate the properties of nucleic acids in the absence of solvent. It highlights the specificities pertaining to the studies of nucleic acids, although some of the techniques can similarly be applied to the study of other biomolecules, like proteins. The first part of the book introduces the techniques, from the transfer of nucleic acids to the gas-phase, to their detailed physico-chemical investigation. Each chapter is devoted to a specific molecular property, and illustrates how various approaches (experimental and theoretical) can be combined for the interpretation.
The second part of the book is devoted to applying the gas-phase approaches to solve specific questions related to the biophysics, biochemistry or pharmacology of nucleic acids.

Spectroscopic Data of Steroid Glycosides serves as an essential reference guide containing spectroscopic, physical and biological activity data of over 3500 steroid glycosides, offering the structures and the data of the naturally occurring glycosides of steroids. All compounds are arranged according to the structure of the aglycone, and, in its own class, according to the increasing molecular weight, making Spectroscopic Data of Steroid Glycosides extremely useful for the structure elucidation of new natural products, particularly glycosides.

Presents chemical state imaging methods useful on distance scales ranging from individual atoms to millimeters. This work is intended for chemists familiar with modern spectroscopies, but includes tutorial material on basic imaging processes for those with little background in the field.

A technique that is useful in the study of pharmaceutical products and biological molecules, polarization IR spectroscopy has undergone continuous development since it first emerged almost 100 years ago. Capturing the state of the science as it exists today, Linearly Polarized IR Spectroscopy: Theory and Applications for Structural Analysis demonstrates how the technique can be properly utilized to obtain important information about the structure and spectral properties of oriented compounds. The book starts with the theoretical basis of linear-dichroic infrared (IR-LD) spectroscopy and then moves on to examine the background of the orientation method of colloid suspensions in a nematic host. It explores the orientation procedure itself, experimental design, and mathematical tools for the interpretation of the IR spectroscopic patterns. Next, the authors describe the structural elucidation of inorganic and organic compounds and glasses. Finally, they discuss applications in pharmaceutical analysis and the chemistry of dyes. Filled with more than 140 illustrations along with a color insert, the book explains both the scope of the polarized IR spectroscopy method as well as its limitations. A powerful source of information not only for specialists in IR spectroscopy, but also for those working in the field of structural analysis, this volume moves the field closer to developing an inherently classical method for the structural characterization of compounds.

Thirty-eight years after its introduction, affinity chromatography remains a key tool in the armory of separation techniques available to separation and interaction scientists. Expanded and updated from the first edition, this second edition volume aims to provide the beginner with the practical knowledge needed to develop affinity separations suitable for a variety of applications relevant to the post-genomic era. It contains state-of-the-art, brand new protocols, and provides step-by-step laboratory instructions for readily reproducible results.

Analytical Chemistry by Open Learning
This series provides a uniquely comprehensive and integrated coverage of analytical chemistry, covering basic concepts, classical methods, instrumental techniques and applications. The learning objectives of each text are clearly identified and the student's understanding of the material is constantly challenged by self-assessment questions with reinforcing or remedial responses. The overall objective of Analytical Chemistry by Open Learning is to enable the student to select and apply appropriate methods and techniques to solve analytical problems, and to interpret the results obtained.

High Performance Liquid Chromatography, Second Edition
The aim of this book is to provide the beginner with a working knowledge of the basic principles and theory behind HPLC techniques. This thoroughly revised edition was written to reflect the advances in standard laboratory practice and encompasses the many new challenges that the practitioner is likely to face. The book covers the foundations of liquid chromatography, instrumentation, column packings and many important applications. HPLC is acknowledged as a powerful and sophisticated analytical technique. This book facilitates the confident use of HPLC and will be particularly valuable to those requiring a sound practical overview with an emphasis on applications and methods.

Edited by highly cited researchers, Vibrational Spectroscopy of Electrified Interfaces highlights modern vibrational techniques ranging from Raman, infrared and non-linear optical spectroscopy to inelastic electron scattering and their application to study electrified interfaces. Providing molecular-level information on the structure and composition of surfaces and interfaces, this first book available on the topic addresses theory, techniques, and applications across a wide range of interfaces in the physical and biological sciences, including those in biological, geochemical, and power devices such as batteries, solar and fuel cells.