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Books > Science & Mathematics > Chemistry > Analytical chemistry > Qualitative analytical chemistry
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. 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
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.
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.
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.
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.
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:
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.
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.
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.
"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:
Second edition of the guide to the modern techniques that demonstrate the potential of Raman spectroscopy Completely revised and updated, the second edition of Modern Raman Spectroscopy presents the information needed for clear understanding and application of the technique of Raman Spectroscopy in a range of areas such as pharmaceuticals, forensics, and biology. The authors--noted experts on the topic--reveal how to make full use of the critical information presented and include a wealth of examples of the pitfalls that can be encountered. The text opens with a description of the basic theory to assist readers in making a practical interpretation of Raman Spectra. Chapters include the main equations that are used in order to highlight the theory's meaning and relevance while avoiding a full mathematical treatment. Modern Raman Spectroscopy provides a firm grounding, combined with a variety of references, from which to approach a more comprehensive study of specific aspects of Raman Spectroscopy. This new edition: Includes instrumentation sections that now contain Spatially Offset Raman scattering and transmission Raman scattering Offers an updated SERS chapter that presents recent examples and Tip enhanced Raman scattering Contains updated information with an emphasis on pharmaceutical, forensic, and biological applications Introduces modern techniques in the imaging and mapping of biological samples and more advanced methods which are becoming easier to use Written for users of Raman Spectroscopy in industry, including non-analysts, researchers, and academics, the second edition of Modern Raman Spectroscopy clearly demonstrates the potential of using Raman Spectroscopy for a wide range of applications.
The most comprehensive resource available on the many applications of portable spectrometers, including material not found in any other published work Portable Spectroscopy and Spectrometry: Volume Two is an authoritative and up-to-date compendium of the diverse applications for portable spectrometers across numerous disciplines. Whereas Volume One focuses on the specific technologies of the portable spectrometers themselves, Volume Two explores the use of portable instruments in wide range of fields, including pharmaceutical development, clinical research, food analysis, forensic science, geology, astrobiology, cultural heritage and archaeology. Volume Two features contributions by a multidisciplinary team of experts with hands-on experience using portable instruments in their respective areas of expertise. Organized both by instrumentation type and by scientific or technical discipline, 21 detailed chapters cover various applications of portable ion mobility spectrometry (IMS), infrared and near-infrared (NIR) spectroscopy, Raman and x-ray fluorescence (XRF) spectroscopy, smartphone spectroscopy, and many others. Filling a significant gap in literature on the subject, the second volume of Portable Spectroscopy and Spectrometry Features a significant amount of content published for the first time, or not available in existing literature Brings together work by authors with assorted backgrounds and fields of study Discusses the central role of applications in portable instrument development Covers the algorithms, calibrations, and libraries that are of critical importance to successful applications of portable instruments Includes chapters on portable spectroscopy applications in areas such as the military, agriculture and feed, hazardous materials (HazMat), art conservation, and environmental science Portable Spectroscopy and Spectrometry: Volume Two is an indispensable resource for developers of portable instruments in universities, research institutes, instrument companies, civilian and government purchasers, trainers, operators of portable instruments, and educators and students in portable spectroscopy courses.
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. |
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