This textbook offers an introduction to the foundations of spectroscopic methods and provides a bridge between basic concepts and experimental applications in fields as diverse as materials science, biology, solar energy conversion, and environmental science. The author emphasizes the use of time-dependent theory to link the spectral response in the frequency domain to the behavior of molecules in the time domain, strengthened by two brand new chapters on nonlinear optical spectroscopy and time-resolved spectroscopy. Theoretical underpinnings are presented to the extent necessary for readers to understand how to apply spectroscopic tools to their own interests.

Analytical chemists in the pharmaceutical industry are always looking for more-efficient techniques to meet the analytical challenges of today s pharmaceutical industry. One technique that has made steady advances in pharmaceutical analysis is supercritical fluid chromatography (SFC). SFC is meeting the chromatography needs of the industry by providing efficient and selective testing capabilities on the analytical and preparative scale. The supercritical fluid mobile phase, consisting mainly of CO2, facilitates cost reduction costs and helps the industry in meeting green chemistry standards. This book provides a comprehensive overview of the use of SFC in pharmaceutical analysis.

Supercritical Fluid Chromatography reviews the use of SFC in drug-discovery applications and describes its application in drug development. When a drug is developed and brought to market, it is tested many times for impurities and degradants, enantiomeric purity, and analytical and preparative isolations it is tested during discovery and development and for under-regulated and unregulated methodologies. The book describes the use of SFC for each of these applications and discusses more in-depth topics, such as the use of SFC in mass spectrometric and polarographic detection. The book also sheds light on the role of SFC in drug development from natural products and the advancement of SFC with new technologies and its use in pilot-scale operations as a chromatographic technique.

The progress in nuclear magnetic resonance (NMR) spectroscopy that took place during the last several decades is observed in both experimental capabilities and theoretical approaches to study the spectral parameters. The scope of NMR spectroscopy for studying a large series of molecular problems has notably broadened. However, at the same time, it requires specialists to fully use its potentialities. This is a notorious problem and it is reflected in the current literature where this spectroscopy is typically only used in a routine way. Also, it is seldom used in several disciplines in which it could be a powerful tool to study many problems. The main aim of this book is to try to help reverse these trends.

This book is divided in three parts dealing with 1) high-resolution NMR parameters; 2) methods for understanding high-resolution NMR parameters; and 3) some experimental aspects of high-resolution NMR parameters for studying molecular structures. Each part is divided into chapters written by different specialists who use different methodologies in their work. In turn, each chapter is divided into sections. Some features of the different sections are highlighted: it is expected that part of the readership will be interested only in the basic aspects of some chapters, while other readers will be interested in deepening their understanding of the subject dealt with in them.
Shows how NMR parameters are useful for structure assignment as well as to obtain insight on electronic structuresEmphasis on conceptual aspects

Contributions by specialists who use the discussed methodologies in their everyday work

Recent advances in infrared molecular spectroscopy have resulted in sophisticated theoretical and laboratory methods that are difficult to grasp without a solid understanding of the basic principles and underlying theory of vibration-rotation absorption spectroscopy. "Rotational Structure in Molecular Infrared Spectra" fills the gap between these recent, complex topics and the most elementary methods in the field of rotational structure in the infrared spectra of gaseous molecules. There is an increasing need for people with the skills and knowledge to interpret vibration-rotation spectra in many scientific disciplines, including applications in atmospheric and planetary research. Consequently, the basic principles of vibration-rotation absorption spectroscopy are addressed for contemporary applications. In addition to covering operational quantum mechanical methods, spherical tensor algebra, and group theoretical methods applied to molecular symmetry, attention is also given to phase conventions and their effects on the values of matrix elements. Designed for researchers and PhD students involved in the interpretation of vibration-rotation spectra, the book intentionally separates basic theoretical arguments (in the appendices), allowing readers who are mainly concerned with applications to skip the principles while at the same time providing a sound theoretical basis for readers who are looking for more foundational information.

- Reviews basic theory and contemporary methods of vibration rotation absorption spectroscopy, including operational quantum mechanical methods, spherical tensor algebra, and group theoretical methods applied to molecular symmetry

- Covers sophisticated mathematical topics in simple, easy-to-read language

- Discusses methods and applications separately from basic theoretical arguments for quick reference

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. For Volume 51, the series editors have invited established, well-known chemists from across the globe to offer cutting-edge reviews on their areas of expertise-from theoretical aspects to novel and established applications of chromatographic techniques. Featured topics include Nonequilibrium Thermodynamics in Nonlinear Chromatography and Electrophoresis: Theory and Applications Biomimetic Chromatography: A Useful Tool in the Drug Discovery Process Solid-Phase Microextraction for In Vivo Pharmacokinetics and Other Stages of Drug Development Identification and Detection of Antibiotic Drugs and Their Degradation Products in Aquatic Samples Sample Preparation for Chromatographic Analysis Development of HPLC Retention Index QSAR Models for Nontargeted Metabolomics Thin Layer Chromatography with a Controlled Gas Phase Influencing on the Separation The clear presentation of topics and vivid illustrations for which this series has become known makes the material accessible and engaging to analytical, biochemical, organic, polymer, and pharmaceutical chemists at all levels of technical skill.

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 a

This text introduces a special class of polymeric ligand exchanger (PLE) with high affinities for anionic ligands. Volume 14 discusses the potential and advantages of micro- and nanofiltration membrane processes for removal of metals; details prevailing equilibrium relationships and supporting experimental data for systems where leaching and ion exchange take place simultaneously; covers cases of uranium cation and gold cyanide anion bisorption and modelling of engineered systems.

Alternating the focus of the series each year, the new volume in the Ion Exchange and Solvent Extraction series represents the vanguard of research in ion exchange. Ion Exchange and Solvent Extraction: A Series of Advances, Volume 18 reflects the remarkable breadth of applications inspiring the latest advances, featuring carefully selected contributors in areas including catalysis, molecular imprinting, drug delivery, nanotechnology, green processes, water treatment, and pollution control. The book explores the properties of resins, synthetic polymers, and naturally occurring materials that exhibit ion exchange properties. It explains their role in synthesis reactions with experimental evidence, examples of reactions, and models. The book also provides useful data, calculations, modeling approaches, process variables, and design aspects to consider for a variety of novel applications. Ion Exchange and Solvent Extraction: A Series of Advances, Volume 18 offers an updated perspective on the current and potential capabilities of ion exchange materials in today's most cutting-edge applications.

Like the earth itself, the nucleus of an atom frequently rotates about an axis. Under the influence of a magnetic field the axis of rotation itself rotates. The rate of this 'precessional' motion is proportional to the strength of the magnetic field and usually lies in the region of radio-frequencies. If a collection of such nuclei is placed in a magnetic field is subjected to radio waves at exactly the frequency of precession, there is a resonance effect, which can be used to measure the frequency of the precession. This effect is called nuclear magnetic resonance. The subject concerns all physicists, particularly nuclear physicists and those interested in the solid state. It is of growing importance to chemists, metallurgists and electrical engineers and there have been some biological and geophysical applications. Nuclear magnetic resonance has already found considerable uses in the oil industry, in industries connected with magnet construction, isotope extraction, plastics and rubber.

Despite more than one century of observational stellar spectroscopy, the resulting data is not available in an easily accessible format. The necessity of such basic information is greater than ever, because new wavelength regions (ultraviolet, infrared) are now accessible and modern receivers can only analyse short stretches of spectra, so that a careful pre-selection of strategic elements is mandatory. This book presents a summary of our knowledge of the behaviour of all chemical elements identified in stars, based on observations rather than on their interpretations. Whenever possible the behaviour is described quantitatively, with the help of equivalent widths in different types of stars, or different ionization stages, for both absorption and emission features. It will provide an authoritative reference book for the astrophysical community.

Although GC-MS (gas chromatography-mass spectrometry) finds applications in fields as diverse as the food processing industry, medicine, pharmacology, and environmental analysis, the few works that are dedicated to this use of mass spectrometry are generally highly complex and theoretical. Emphasizing the practical aspects of GC-MS, without neglect

Organic Structure Determination Using 2-D NMR Spectroscopy: A Problem-Based Approach, Second Edition, is a primary text for a course in two-dimensional (2-D) nuclear magnetic resonance (NMR) techniques, with the goal to learn to identify organic molecular structure. It presents strategies for assigning resonances to known structures and for deducing structures of unknown organic molecules based on their NMR spectra. The book begins with a discussion of the NMR technique, while subsequent chapters cover instrumental considerations; data collection, processing, and plotting; chemical shifts; symmetry and topicity; through-bond effects; and through-space effects. The book also covers molecular dynamics; strategies for assigning resonances to atoms within a molecule; strategies for elucidating unknown molecular structures; simple and complex assignment problems; and simple and complex unknown problems. Each chapter includes problems that will enable readers to test their understanding of the material discussed. The book contains 30 known and 30 unknown structure determination problems. It also features a supporting website from which instructors can download the structures of the unknowns in selected chapters, digital versions of all figures, and raw data sets for processing. This book will stand as a single source to which instructors and students can go to obtain a comprehensive compendium of NMR problems of varying difficulty.

Facilitating the innovation, development, and application of new spectroscopic methods in proteomics, Spectral Techniques in Proteomics provides a broad overview of the spectroscopic toolbox that can be used, either with proteome or sub-proteome mixtures or with individual/purified proteins studied in parallel. It gives a modest overview of existing and proven techniques as well as a detailed examination of less established spectroscopic methods with studied speculation on future applications. Intended for a broad audience of protein biochemists and biophysicists, the book adopts a wider definition of proteomics to include the systems-based study of proteomes and sub-proteomes involving proteins related through regulatory cascades, metabolic pathways, post-translational modifications, or associated biologic effect, as well as the parallel study of subsets such as proteins with associated protein folds (structural proteomics) or binding sites (chemical proteomics). Beginning by defining the scope of the field as is relevant to spectroscopists, the book then briefly reviews current commonly used spectroscopic methods. It covers separation techniques that typically precede ESI studies as well as MALDI MS/MS based protein identification. SELDI is also presented as a tool that combines separation techniques with MS analysis on the same chip. The book presents studies of protein-protein and protein-ligand interactions using NIR fluorescence, NMR, MS, and SPR. Recent developments in ICAT labeling strategies are addressed along with a discussion of metabolomics. A description of advances in structural proteomics using NMR, x-ray crystallography, and EPR precedes a final summary of current technology and future prospects of the science. Analyzing the current state of the science and the future evolution of the field, Spectral Techniques in Proteomics applies a systems-based approach to studying the function and mechanism of proteins.

This is the first book that comprehensively and systematically describes the new technology of hydrophilic interaction liquid chromatography (HILIC). Hydrophilic interaction chromatography is a separation technique suitable for polar and hydrophilic compounds and orthogonal to reversed phase liquid chromatography. From small organic molecules to proteins, the text explores the many applications of HILIC in the analytical field. Winner of the President's Award for Excellence, the author explains how HILIC can significantly improve analytical throughput by shortening sample preparation procedure, which is one of the bottlenecks for drug discovery and development in the pharmaceutical industry.

The powerful, efficient technique of high performance liquid chromatography (HPLC) is essential to the standardization of plant-based drugs, identification of plant material, and creation of new herbal medicines. Filling the void in this critical area, High Performance Liquid Chromatography in Phytochemical Analysis is the first book to give a complete description of the techniques, materials, and instrumentation of column HPLC and its application to essentially all primary and secondary plant metabolites. Hailing from around the world and with vast expertise in HPLC phytochemical analysis, the contributors present a global, authoritative view of the field. The book looks at the role of HPLC in the analysis of herbal drugs, quality control of plant products in dietary supplements, and chemosystematics. It also covers the phytochemistry, pharmacology, and biological role of plant metabolites as well as various modes and techniques of HPLC analysis. The book then focuses on HPLC separation, identification, and quantification of particular classes of compounds in a variety of sample types, including plants, plant extracts, and plant-derived products. Along with its companion volume Thin Layer Chromatography in Phytochemistry, this comprehensive book presents the most important analytical approaches used in phytochemical analysis. It will help in solving problems connected with practical separations and the analyses of plant extract fractions of active metabolites.

High performance liquid chromatography (HPLC) is one of the most widespread analytical and preparative scale separation techniques used for both scientific investigations and industrial and biomedical analysis. Now in its second edition, this revised and updated version of the Handbook of HPLC examines the new advances made in this field since the publication of the benchmark first edition twelve years ago. It reports detailed information on fundamental and practical aspects of HPLC related to conventional format and sophisticated novel approaches which have been developed to address a variety of separation problems in different fields. The latest concepts New concepts presented in this edition include monolithic columns, bonded stationary phases, micro-HPLC, two-dimensional comprehensive liquid chromatography, gradient elution mode, and capillary electromigration techniques. The book also discusses LC-MS interfaces, nonlinear chromatography, displacement chromatography of peptides and proteins, field-flow fractionation, retention models for ions, and polymer HPLC. Fundamentals and applications The first section of the book explores emerging novel aspects of HPLC and related separation methods based on the differential velocity of analytes in a liquid medium under the action of either an electric field (capillary electromigration techniques) or a gravitational field (field-flow fractionation). The section focusing on applications highlights four significant areas in which HPLC is successfully employed: chiral pharmaceutical, environmental analysis, food analysis, and forensic science. Ideal for a widespread audience Explanatory figures and tables supplement the text and clarify difficult concepts. Extensive references provide gateways to more focused study. Suitable for undergraduates or new practitioners interested in improving their knowledge on the current status and future trends of HPLC, the book is also a critical resource for researchers looking for solutions to complex separation problems or those who currently use HPLC either as an analytical or a preparative scale tool.

Chromatography has many roles in forensic science, ranging from toxicology to environmental analysis. In particular, high-performance liquid chromatography (HPLC) is a primary method of analysis in many types of laboratories. Maintaining a balance between practical solutions and the theoretical considerations involved in HPLC analysis, Forensic Applications of High Performance Liquid Chromatography uses real-life examples likely to be found within a forensic science laboratory to explain HPLC from a forensic perspective.

Focusing chiefly on the reverse phase HPLC mode of separation, this volume examines:

• The history of HPLC and the theory behind the separation process
• The requirements for successful analysis and best practice tips
• The modes of separation and detection most appropriate for forensic science applications
• HPLC method development and evaluation
• The quality aspects of laboratory operation
• Troubleshooting HPLC systems and analyses
• Applications of HPLC within the field of forensic science

Designed as a textbook for university students studying analytical chemistry, applied chemistry, forensic chemistry, or other courses with an element of HPLC within the course curriculum, this volume is also an invaluable guide for those in the early stages of their forensic analysis careers.

An instructor's manual with lecture slides, test bank, objectives, and exercises is available with qualifying course adoption

Surface-Enhanced Raman Scattering (SERS) was discovered in the 1970s and has since grown enormously in breadth, depth, and understanding. One of the major characteristics of SERS is its interdisciplinary nature: it lies at the boundary between physics, chemistry, colloid science, plasmonics, nanotechnology, and biology. By their very nature, it is impossible to find a textbook that will summarize the principles needed for SERS of these rather dissimilar and disconnected topics. Although a basic understanding of these topics is necessary for research projects in SERS with all its many aspects and applications, they are seldom touched upon as a coherent unit during most undergraduate studies in physics or chemistry. This book intends to fill this existing gap in the literature. It provides an overview of the underlying principles of SERS, from the fundamental understanding of the effect to its potential applications. It is aimed primarily at newcomers to the field, graduate student, researcher or scientist, attracted by the many applications of SERS and plasmonics or its basic science. The emphasis is on concepts and background material for SERS, such as Raman spectroscopy, the physics of plasmons, or colloid science, all of them introduced within the context of SERS, and from where the more specialised literature can be followed.
* Represents one of very few books fully dedicated to the topic of surface-enhanced Raman spectroscopy (SERS)
* Gives a comprehensive summary of the underlying physical concepts around SERS
* Provides a detailed analysis of plasmons and plasmonics

For almost a decade, quantitative NMR spectroscopy (qNMR) has been established as valuable tool in drug analysis. In all disciplines, i. e. drug identification, impurity profiling and assay, qNMR can be utilized.
Separation techniques such as high performance liquid chromatography, gas chromatography, super fluid chromatography and capillary electrophoresis techniques, govern the purity evaluation of drugs. However, these techniques are not always able to solve the analytical problems often resulting in insufficient methods. Nevertheless such methods find their way into international pharmacopoeias. Thus, the aim of the book is to describe the possibilities of qNMR in pharmaceutical analysis.
Beside the introduction to the physical fundamentals and techniques the principles of the application in drug analysis are described: quality evaluation of drugs, polymer characterization, natural products and corresponding reference compounds, metabolism, and solid phase NMR spectroscopy for the characterization drug substances, e.g. the water content, polymorphism, and drug formulations, e.g. tablets, powders. This part is accompanied by more special chapters dealing with representative examples. They give more detailed information by means of concrete examples.
- combines theory, techniques, and concrete applications-all of which closely resemble the laboratory experience
- considers international pharmacopoeias, addressing the concern for licensing
- features the work of academics and researchers, appealing to a broad readership

A classical metastable state possesses a local free energy minimum at infinite sizes, but not a global one. This concept is phase size independent. We have studied a number of experimental results and proposed a new concept that there exists a wide range of metastable states in polymers on different length scales where their metastability is critically determined by the phase size and dimensionality. Metastable states are also observed in phase transformations that are kinetically impeded on the pathway to thermodynamic equilibrium. This was illustrated in structural and morphological investigations of crystallization and mesophase transitions, liquid-liquid phase separation, vitrification and gel formation, as well as combinations of these transformation processes. The phase behaviours in polymers are thus dominated by interlinks of metastable states on different length scales. This concept successfully explains many experimental observations and provides a new way to connect different aspects of polymer physics.
* Written by a leading scholar and industry expert
* Presents new and cutting edge material encouraging innovation and future research
* Connects hot topics and leading research in one concise volume

The latest edition of the authoritative reference to HPLC

High-performance liquid chromatography (HPLC) is today the leading technique for chemical analysis and related applications, with an ability to separate, analyze, and/or purify virtually any sample. Snyder and Kirkland's Introduction to "Modern Liquid Chromatography" has long represented the premier reference to HPLC. This "Third Edition," with John Dolan as added coauthor, addresses important improvements in columns and equipment, as well as major advances in our understanding of HPLC separation, our ability to solve problems that were troublesome in the past, and the application of HPLC for new kinds of samples.

This carefully considered "Third Edition" maintains the strengths of the previous edition while significantly modifying its organization in light of recent research and experience. The text begins by introducing the reader to HPLC, its use in relation to other modern separation techniques, and its history, then leads into such specific topics as: The basis of HPLC separation and the general effects of different experimental conditionsEquipment and detectionThe column--the "heart" of the HPLC systemReversed-phase separation, normal-phase chromatography, gradient elution, two-dimensional separation, and other techniquesComputer simulation, qualitative and quantitative analysis, and method validation and quality controlThe separation of large molecules, including both biological and synthetic polymersChiral separations, preparative separations, and sample preparationSystematic development of HPLC separations--new to this editionTroubleshooting tricks, techniques, and case studies for both equipment and chromatogramsDesigned to fulfill the needs of the full range of HPLC users, from novices to experts, "Introduction to Modern Liquid Chromatography," Third Edition offers the most up-to-date, comprehensive, and accessible survey of HPLC methods and applications available.

"a very valuable book for graduate students and researchers in the field of Laser Spectroscopy, which I can fully recommend" -Wolfgang Demtroeder, Kaiserslautern University of Technology How would it be possible to provide a coherent picture of this field given all the techniques available today? The authors have taken on this daunting task in this impressive, groundbreaking text. Readers will benefit from the broad overview of basic concepts, focusing on practical scientific and real-life applications of laser spectroscopic analysis and imaging. Chapters follow a consistent structure, beginning with a succinct summary of key principles and concepts, followed by an overview of applications, advantages and pitfalls, and finally a brief discussion of seminal advances and current developments. The examples used in this text span physics and chemistry to environmental science, biology, and medicine. Focuses on practical use in the laboratory and real-world applications Covers the basic concepts, common experimental setups Highlights advantages and caveats of the techniques Concludes each chapter with a snapshot of cutting-edge advances This book is appropriate for anyone in the physical sciences, biology, or medicine looking for an introduction to laser spectroscopic and imaging methodologies. Helmut H. Telle is a full professor at the Instituto Pluridisciplinar, Universidad Complutense de Madrid, Spain. Angel Gonzalez Urena is head of the Department of Molecular Beams and Lasers, Instituto Pluridisciplinar, Universidad Complutense de Madrid, Spain.

This book is a logical, step-by-step guide to identification of organic compounds by mass spectrometry. The book is organized into chapters covering the major types of organic compounds, including alcohols, acids and esters, aldehydes and ketones, ethers, hydrocarbons, halogenated compounds, amines and amides, and sulfur-containing compounds. In each chapter, the mechanisms of the major fragmentation pathways are discussed, with reference to several simple sample compounds. By teaching the user to recognize typical fragmentations, the book removes the need to search databases, often limited, of electronic spectra. Key features of the book include:

• 200 representative spectra of common organic compounds
• Functional group approach to mass spectra interpretation
• Appendix of ‘unknown’ spectra with step-by-step guide to identification

This book is a must for anyone who needs to identify organic molecules by mass spectrometry but does not need to know the detailed workings of a mass spectrometer.

First published over 40 years ago, this was the first text on the identification of organic compounds using spectroscopy. This text is now considered to be a classic. This text presents a unified approach to the structure determination of organic compounds based largely on mass spectrometry, infrared (IR) spectroscopy, and multinuclear and multidimensional nuclear magnetic resonance (NMR) spectroscopy. The key strength of this text is the extensive set of practice and real-data problems (in Chapters 7 and 8). Even professional chemists use these spectra as reference data. Spectrometric Identification of Organic Compounds is written by and for organic chemists, and emphasizes the synergistic effect resulting from the interplay of the spectra. This book is characterized by its problem-solving approach with extensive reference charts and tables.

The 8th edition of this text maintains its student-friendly writing style - wording throughout has been updated for consistency and to be more reflective of modern usage and methods. Chapter 3 on proton NMR spectroscopy has been overhauled and updated. Also, new information on polymers and phosphorus functional groups has been added to Chapter 2 on IR spectroscopy.

This concise and carefully developed text offers a reader friendly guide to the basics of time-resolved spectroscopy with an emphasis on experimental implementation. The authors carefully explain and relate for the reader how measurements are connected to the core physical principles. They use the time-dependent wave packet as a building block for understanding quantum dynamics, progressively advancing to more complex topics. The topics are discussed in paired sections, one discussing the theory and the next presenting the related experimental methods. A wide range of readers including students and newcomers to the field will gain a clear and practical understanding of how to measure aspects of molecular dynamics such as wave packet motion, intramolecular vibrational relaxation, and electron-electron coupling, and how to describe such measurements mathematically.