The analytical power of ion mobility spectrometry-mass spectrometry (IMS-MS) instruments is poised to advance this technology from research to analytical laboratories. Exploring these developments at this critical juncture, Ion Mobility Spectrometry-Mass Spectrometry: Theory and Applications covers the tools, techniques, and applications involved when molecular size and shape information is combined with the well-known analytical advantages of high-performance mass spectrometry. One of the Most Exciting Developments in Contemporary Mass Spectrometry After presenting an overview chapter and the fundamentals, the book focuses on instrumentation and ionization sources. It describes an ion-mobility-capable quadrupole time-of-flight mass spectrometer, the differential mobility analyzer, a cryogenic-temperature ion mobility mass spectrometer, the atmospheric solids analysis probe method, and laserspray ionization. In the final applications-oriented chapters, the contributors explore how homebuilt and commercial instruments using electrospray ionization and matrix-assisted laser desorption/ionization (MALDI) methods are employed to solve biological and synthetic issues. Harness the Power of IMS-MS for Analyzing Complex Substances This work helps readers unfamiliar with IMS-MS to understand its fundamental theory and practical applications. It also encourages them to investigate the potential analytical uses of IMS-MS and further explore the power of this method. Numerous color figures are included on downloadable resources.

Rotational Structure in Molecular Infrared Spectra, Second Edition, fills the gap between these complex topics and the most elementary methods in the field of rotational structure in the infrared spectra of gaseous molecules. Combining foundational theoretical information with advanced applications, this book is a useful guide for all those involved in the application of molecular spectroscopic techniques and the interpretation of vibration-rotation spectra. Interpreting vibration-rotation spectra is an important skill in many scientific disciplines, ranging from nanochemistry to planetary research, hence this book is an ideal resource.

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.

Provides students and practitioners with a solid grounding in the theory of chromatography, important considerations in its application, and modern instrumentation. * Highlights the primary variables that practitioners can manipulate, and how those variables influence chromatographic separations * Includes multiple figures that illustrate the application of these methods to actual, complex chemical samples * Problems are embedded throughout the chapters as well as at the end of each chapter so that students can check their understanding before continuing on to new sections * Each section includes numerous headings and subheadings, making it easy for faculty and students to refer to and use the information within each chapter selectively * The focused, concise nature makes it useful for a modular approach to analytical chemistry courses

Assembling the work of an international panel of researchers, Mass Spectrometry of Nucleosides and Nucleic Acids summarizes and reviews the latest developments in the field and provides a window on the next generation of analysis. Beginning with an overview of recent developments, the book highlights the most popular ionization methods and illustrates the diversity of strategies employed in the characterization and sequencing of DNA and RNA oligomers, nucleosides, nucleotides, and adducts. It describes studies performed on deoxyinosine and its analogues and provides an introduction to tandem mass spectrometry (MS/MS).

Next, the contributors examine mass spectrometric application in the study of cyclic nucleotides in biochemical signal transduction. They analyze urinary modified nucleosides and explore DNA adducts. They discuss isotope labeling of DNA-mass spectrometry (ILD-MS) and examine various uses of electrospray ionization mass spectrometry (ESI-MS). The book reviews recent progress in the direct MS characterization of noncovalent nucleic acid-protein complexes, explores the interaction and ionization of guanidine-derived compounds with highly acidic biomolecules, and examines quantitative identification of nucleic acids via signature digestion products detected using mass spectrometry.

The book describes a direct-infusion ESI-MS approach that can serve as a screening technique for the presence of modified nucleosides from small RNAs. Lastly, it discusses the LC-MS/MS method for the in vitro replication studies on damage-containing DNA substrates, and concludes with an examination of the influence of metal ions on the structure and reactivity of nucleic acids.

The exciting developments in mass spectrometry technology have fueled incredible advances in our understanding of nucleic acids and their complexes. The contributions presented in this volume capture the range of these advances, helping to inspire new findings and avenues of research.

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

Atomistic simulations of metals under irradiation are indispensable for understanding damage processes at time- and length-scales beyond the reach of experiment. Previously, such simulations have largely ignored the effect of electronic excitations on the atomic dynamics, even though energy exchange between atoms and electrons can have significant effects on the extent and nature of radiation damage. This thesis presents the results of time-dependent tight-binding simulations of radiation damage, in which the evolution of a coupled system of energetic classical ions and quantum mechanical electrons is correctly described. The effects of electronic excitations in collision cascades and ion channeling are explored and a new model is presented, which makes possible the accurate reproduction of non-adiabatic electronic forces in large-scale classical molecular dynamics simulations of metals.

The derivation of structural information from spectroscopic data is now an integral part of organic chemistry courses at all Universities. A critical part of any such course is a suitable set of problems to develop the students' understanding of how organic structures are determined from spectra. The book builds on the very successful teaching philosophy of learning by hands-on problem solving; carefully graded examples build confidence and develop and consolidate a student's understanding of organic spectroscopy. Organic Structures from Spectra, 6th Edition is a carefully chosen set of about 250 structural problems employing the major modern spectroscopic techniques, including Mass Spectrometry, 1D and 2D 13C and 1H NMR Spectroscopy and Infrared Spectroscopy. There are 25 problems specifically dealing with the interpretation of spin-spin coupling in proton NMR spectra and 10 problems based on the quantitative analysis of mixtures using proton and carbon NMR spectroscopy. The accompanying text is descriptive and only explains the underlying theory at a level that is sufficient to tackle the problems. The text includes condensed tables of characteristic spectral properties covering the frequently encountered functional groups. The examples themselves have been selected to include all important structural features and to emphasise connectivity arguments and stereochemistry. Many of the compounds were synthesised specifically for this book. In this collection, there are many additional easy problems designed to build confidence and to demonstrate basic principles. The Sixth Edition of this popular textbook: now incorporates many new problems using 2D NMR spectra (C-H Correlation spectroscopy, HMBC, COSY, NOESY and TOCSY); has been expanded and updated to reflect the new developments in NMR spectroscopy; has an additional 40 carefully selected basic problems; provides a set of problems dealing specifically with the quantitative analysis of mixtures using NMR spectroscopy; features proton NMR spectra obtained at 200, 400 and 600 MHz and 13C NMR spectra including routine 2D C-H correlation, HMBC spectra and DEPT spectra; contains a selection of problems in the style of the experimental section of a research paper; includes examples of fully worked solutions in the appendix; has a complete set of solutions available to instructors and teachers from the authors. Organic Structures from Spectra, Sixth Edition will prove invaluable for students of Chemistry, Pharmacy and Biochemistry taking a first course in Organic Chemistry.

Technical advances in probing surface chemistry with photoelectron spectroscopy under ambient pressures and at buried interfaces enables us to capture information on the chemical state under conditions close to real life applications. Meanwhile time-resolved XAS and XES provide the capability of capturing snapshots of the electronic structure of surface states in the femtosecond time regime allowing us to probe reaction pathways with unprecedented precision. There is also a transformation in access to these techniques. These new approaches are changing our understanding of surface chemistry in an extremely diverse range of applications, from device manufacture to in-vivo sensing to catalysis. It is very timely to consider this new knowledge emerging and explore the potential applications of these tools to other areas. Join international leaders in the field as they explore and exchange ideas about the key aspects of surface science, helping to develop the roadmap to shape the surface chemistry landscape for the years ahead. The topics covered include: In-situ methods: discoveries and challenges Buried interfaces Time resolved surface analysis (kinetic and molecular timescales) Future directions

recently discovered advantages of amorphous forms of medicines/pharmaceutical products which focused a significant part of industry-related efforts on the GFA (Glass Forming Ability) and the glass temperature (T) versus pressure g dependences. 1 b ? 0 ? ? o ? P ? Pg P ? Pg 0 ? ? ? ? T (P ) = F (P )D (P ) =T 1 + exp ? g g ? 0 ? ? ? ? c + Pg ? ? ? ? 400 1 b 0 o ? ? ? ? P ? P P ? P g g 0 ? ? ? ? T (P ) = F (P )D (P ) =T 1 + exp ? g g 0 ? ? ? ? c ? + P max g ? ? ? ? T ~7 GPa g max P ~ 304 K Liquid g 300 1 HS glass 0 200 -1 mSG ?=0. 044 Liquid -2 100 -3 glass ?=0. 12 -1. 2 -0. 9 -0. 6 -0. 3 0. 0 log T 10 scaled -1 0 1 2 3 4 5 6 7 8 9 10 11 12 P (GPa) g 19 Figure 1. T he pressure evolution of the glass temperature in gl Th ye s cerol ol . id curve shows the parameterization of experimental data via the novel, modifie d Glat Sizm elon type equation, given in the Figure.

Chemical Analysis and Material Characterization by Spectrophotometry integrates and presents the latest known information and examples from the most up-to-date literature on the use of this method for chemical analysis or materials characterization. Accessible to various levels of expertise, everyone from students, to practicing analytical and industrial chemists, the book covers both the fundamentals of spectrophotometry and instrumental procedures for quantitative analysis with spectrophotometric techniques. It contains a wealth of examples and focuses on the latest research, such as the investigation of optical properties of nanomaterials and thin solid films.

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.

This biography is a personal portrait of one of the best-known Dutch physicists, Nicolaas Bloembergen. Born in 1920 in Dordrecht, Bloembergen studied physics in Utrecht, leaving after World War II for the United States, where he became an American citizen in 1958. At Harvard University, he pioneered nuclear magnetic resonance (NMR, used in chemistry and biology for structure identification; moreover leading to MRI), laser theory and nonlinear optics. In 1978 he was awarded the Lorentz Medal for his contribution to the theory of nonlinear optics (used in fiber optics), and in 1981 he received the Nobel Prize for physics, along with Arthur Schawlow and Kai Siegbahn. The book is based on numerous conversations with Nicolaas Bloembergen himself, his wife Deli Brink, his family, and colleagues in science. It describes his childhood and study in Bilthoven and Utrecht, the first postwar years at Harvard, the discoveries of masers and lasers, and the award of the Nobel Prize. It also delves into Bloembergen's involvement in American politics, particularly his role in Ronald Reagan's controversial Star Wars program.

The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.

This book covers novel research results for process and techniques of materials characterization for a wide range of materials. The authors provide a comprehensive overview of the aspects of structural and chemical characterization of these materials. The articles contained in this book covers state of the art and experimental techniques commonly used in modern materials characterization. The book includes theoretical models and numerous illustrations of structural and chemical characterization properties.

For more than four decades, scientists and researchers have relied on the Advances in Chromatography series for the most up-to-date information on a wide range of developments in chromatographic methods and applications. Volume 45 of this authoritative series once again compiles the work of expert contributors in order to present timely and cutting-edge reviews on a variety of related topics. This volume focuses on applying various chromatographic techniques to combinatorial methods and high-throughput analyses. The authors address various limitations to traditional techniques and present developments that enable scientists to analyze a higher volume of smaller molecules under high-throughput conditions more efficiently. Other practical topics include discussions of selection criteria for using alternative solvents and reagents, minimum requirements for utilizing readily available instrumentation and methods for new applications, the use of high-throughput purification for obtaining higher quality leads, and new chromatographic data on organic endocrine disrupters. Advances in Chromatography: Volume 45 provides a good starting point to gain quick and up-to-date knowledge of the field and its most recent developments. Each author's clear presentation of topics and vivid illustrations make the material accessible and engaging to a variety of chemists with different levels of technical skill.

Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of Hartree-Fock(HF), Density Function theory(DFT) and hybrid Hamiltonians. The translation and site symmetry consideration is included to establish connection between k-space solid -state physics and real-space quantum chemistry. The inclusion of electron correlation effects for periodic systems is considered on the basis of localized crystalline orbitals. The possibilities of LCAO methods for chemical bonding analysis in periodic systems are discussed.
The second part deals with the applications of LCAO methods for calculations of bulk crystal properties, including magnetic ordering and crystal structure optimization. In the second edition two new chapters are added in the application part II of the book.
Chapter 12 deals with the recent LCAO calculations and illustrates the efficiency of the scalar-relativistic LCAO method for solids, containing heavy atoms. Chapter 13 deals with the symmetry properties and the recent applications of LCAO method to inorganic nanotubes.
New material is added to chapter 9 devoted to LCAO calculations of perfect-crystal properties. The possibilities of LCAO method for calculation of the high-frequency dielectric constants of crystals and the description of phase transitions in solids are discussed. The efficiency of LCAO method in the quantum-mechanics-molecular dynamics approach to the interpretation of x-ray absorption and EXAFS spectra is illustrated. A new section is devoted to recent LCAO calculations of electronic, vibrational and magnetic properties of tungstates MeWO4 (Me: Fe, Co, Ni, Cu, Zn, Cd)."

This book presents a careful selection of the most important developments of the \phi^4 model, offering a judicious summary of this model with a view to future prospects and the challenges ahead. Over the past four decades, the \phi^4 model has been the basis for a broad array of developments in the physics and mathematics of nonlinear waves. From kinks to breathers, from continuum media to discrete lattices, from collisions of solitary waves to spectral properties, and from deterministic to stochastic models of \phi^4 (and \phi^6, \phi^8, \phi^12 variants more recently), this dynamical model has served as an excellent test bed for formulating and testing the ideas of nonlinear science and solitary waves.

Used primarily for characterizing polymers and biological systems, vibrational spectroscopy continues to uncover structural information pertinent to a growing number of applications. Vibrational Spectroscopy of Biological and Polymeric Materials compiles the latest developments in advanced infrared and Raman spectroscopic techniques that are applicable to both polymeric materials and biological compounds. It also presents instrumentation and experimental details that can be used by polymer chemists and biochemists in the design of their own experiments. The text starts by describing the application of static and dynamic FT-IR spectroscopies to liquid crystalline polyurethanes, including a clear exposition of the theory behind the experiments. It discusses the measurement of static and dynamic linear dichroism and stress or strain in both single and multiple fiber composite materials. The book explains the roles of vibrational spectroscopy and the Langmuir-Blodgett technique in the study and preparation of high-quality ultrathin materials. Chapters rich in both theoretical and experimental details describe two-dimensional correlation spectroscopy and vibrational circular dichroism. Biomedically-oriented chapters describe the advances in IR imaging of tissues made possible by focal-plane arrays; as well as the use of ligand-gated FT-IR difference spectroscopy in neuropharmacology, particularly in identifying ligands and modes of action for the large number of membrane receptors recently identified in the human genome. The final chapter discusses the application of time-resolved FT-IR spectroscopy to biological materials, providing a detailed guide to the use of commercial step-scan instrumentation for examining sub-millisecond mechanistic details of photobiological processes. Written by eminent experts in these fields, Vibrational Spectroscopy of Biological and Polymeric Materials is an ideal and practical reference for the broad spectrum of researchers interested in the analysis and integration of biological and polymeric materials.

Annual Reports on NMR Spectroscopy, Volume 96, provides an in-depth accounting of progress in nuclear magnetic resonance (NMR) spectroscopy and its many applications, including 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 resource for both specialists and non-specialists, with this new release focusing on Recent Advances in Absolute Shielding Scales for NMR Spectroscopy, Applications of Hyperpolarus Long-Lived States in Drug Screening, and Characterization of Mixed Network Phosphate Classes by 1D and 2D NMR Techniques, amongst other topics.

This book discusses the scientific mechanism of copper electrodeposition and it's wide range of applications. The book will cover everything from the basic fundamentals to practical applications. In addition, the book will also cover important topics such as: * ULSI wiring material based upon copper nanowiring * Printed circuit boards * Stacked semiconductors * Through Silicon Via * Smooth copper foil for Lithium-Ion battery electrodes. This book is ideal for nanotechnologists, industry professionals, and practitioners.

Developments in optical spectroscopy have taken new directions in recent decades, with the focus shifting from understanding small gas phase molecules towards applications in materials and biological systems. This is due to significant interest in these topics, which has been facilitated by significant technological developments.Absorption, luminescence and excited state energy transfer properties have become of crucial importance on a large scale in materials related to light-harvesting in organic and inorganic third generation solar cells, for solar water splitting, and in light emitting diodes, TV screens and many other applications. In addition, Foerster resonance energy transfer can be used as a ruler for the characterisation of the structure and dynamics of DNA, proteins and other biomolecules via labelling with fluorescing markers.This advanced textbook covers a range of these applications as well as the basics of absorption, emission and energy transfer of molecular systems in the condensed phase, in addition to the corresponding behaviour of metal nanoparticles and semiconductor quantum dots. Technical experimental requirements, aspects to avoid interfering perturbations and methods of quantitative data analysis make this book accessible and ideal for students and researchers in physical chemistry, biophysics and nanomaterials.

This reference examines innovations in separation science for improved sensitivity and cost-efficiency, increased speed, higher sample throughput and lower solvent consumption in the assessment, evaluation, and validation of emerging drug compounds. It investigates breakthroughs in sample pretreatment, HPLC, mass spectrometry, capillary electrophoresis and therapeutic drug monitoring for improved productivity, precision, and safety in clinical chemistry, biomedical analysis, and forensic research.
From saliva, hair, and biological samples to illegal drugs and toxins, Separation Techniques in Clinical Chemistry is a thorough single-source guide for analytical, organic, pharmaceutical, medicinal, physical, surface, and colloid chemists and biochemists; and upper-level undergraduate and graduate students in these disciplines.

Despite ten years of intensive research, there are still many questions concerning the nature of the electronic structure (Fermi vs non-Fermi liquid) and mechanisms of superconductivity. This book provides an up-to-date and comprehensive review of the experimental results and theoretical interpretations concerning elementary excitation spectra in high-Tc superconductor, both in the normal and superconducting states, and suggests directions where future experimental and theoretical efforts should be concentrated. A critical comparison of different theoretical models involving strong electron correlations, spin fluctuations and electron-phonon coupling is given.