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Books > Science & Mathematics > Chemistry > Analytical chemistry > Qualitative analytical chemistry > Chemical spectroscopy, spectrochemistry > General
Provides a comprehensive guide to the use of gas chromatography-mass spectrometry (GC-MS) on environmentally significant organic compounds This book presents a library of mass spectra of 1,725 biologically and environmentally important organic compounds, in the form of their trimethylsilyl derivatives (TMS), as well as their linear temperature programmed chromatographic retention indices, RI, whose values are in the range of 700-4700 index units. Of the compounds presented, more than 60% of compounds have not previously been characterized by their mass spectra, and more than 70% not previously been characterized by their RI values. Some of these compounds, never before analysed via MS and GC, were detected by the author's team in plant tissues. The first chapters of the book are devoted to the methodology and practice of sample preparation, as well as to mass spectrometry considerations. They contain the discussion of possible complications and limitations of the method. The book includes lists of chemical compounds in alphabetical order, as well as in the order of their retention indices which facilitates the search for parameters of interest. Every compound in the book includes a RI value, mass spectrum, CAS number (if available), molecular and structural formula, formula weight, chemical name and list of synonyms, as well the source of compounds used for registration of spectrum and RI value. Features mass spectra and chromatographic retention indices of 1,725 organic substances in the form of their trimethylsilyl derivatives (TMS) Includes the CAS number, molecular and structural formula, formula weight, mass spectrum, chemical name and list of synonyms, and more for every compound covered within The first publication containing analytical parameters of high-boiling compounds such as glycosides, lignans, and phenylpropenoid glycerides with RI values >4000 GC-MS of Biologically and Environmentally Significant Organic Compounds will appeal to specialists in phytochemical analysis, food, and environmental chemistry, as well as other investigators dealing with GC or GC/MS analysis complex mixtures of organic compounds. The accompanying electronic database, "Biologically and Environmentally Important Organic Compounds - GCMS Library", will be published in mid-2020, ISBN: 978-1-119-60170-8.
This book examines Thomas Hardy's representations of the road and the ways the archaeological and historical record of roads inform his work. Through an analysis of the uneven and often competing road signs found within three of his major novels - The Return of the Native, Tess of the D'Urbervilles, and Jude the Obscure - and by mapping the road travels of his protagonists, this book argues that the road as represented by Hardy provides a palimpsest that critiques the Victorian construction of social and sexual identities. Balancing modern exigencies with mythic possibilities, Hardy's fictive roads exist as contested spaces that channel desire for middle-class assimilation even as they provide the means both to reinforce and to resist conformity to hegemonic authority.
Rapid, inexpensive, and easy-to-deploy, near-infrared (NIR) spectroscopy can be used to analyze samples of virtually any composition, origin, and condition. The Handbook of Near Infrared Analysis, Fourth Edition, explores the factors necessary to perform accurate and time- and cost-effective analyses across a growing spectrum of disciplines. This updated and expanded edition incorporates the latest advances in instrumentation, computerization, chemometrics applied to NIR spectroscopy, and method development in NIR spectroscopy, and underscores current trends in sample preparation, calibration transfer, process control, data analysis, instrument performance testing, and commercial NIR instrumentation. This work offers readers an unparalleled combination of theoretical foundations, cutting-edge applications, and practical experience. Additional features include the following: Explains how to perform accurate as well as time- and cost-effective analyses. Reviews software-enabled chemometric methods and other trends in data analysis. Highlights novel applications in pharmaceuticals, polymers, plastics, petrochemicals, textiles, foods and beverages, baked products, agricultural products, biomedicine, nutraceuticals, and counterfeit detection. Underscores current trends in sample preparation, calibration transfer, process control, data analysis, and multiple aspects of commercial NIR instrumentation. Offering the most complete single-source guide of its kind, the Handbook of Near Infrared Analysis, Fourth Edition, continues to offer practicing chemists and spectroscopists an unparalleled combination of theoretical foundations, cutting-edge applications, and detailed practical experience provided firsthand by more than 50 experts in the field.
This volume is intended to show beginners in modern Fourier Transform-Infrared analysis which technique of infrared analysis should be selected and how to use it to obtain certain information from the most common samples brought into research and analytical laboratories in production industries.
Over recent years electronic spectroscopy has developed significantly, with key applications in atmospheric chemistry, astrophysics and astrochemistry. High Resolution Electronic Spectroscopy of Small Molecules explores both theoretical and experimental approaches to understanding the electronic spectra of small molecules, and explains how this information translates to practice. Professors Geoffrey Duxbury and Alexander Alijah present the links between spectroscopy and photochemistry, and discuss theoretical treatments of the interaction between different electronic states. They provide a thorough discussion of experimental techniques, and explore practical applications. This book will be an indispensable reference for graduate students and researchers in physics and chemistry working on theoretical and practical aspects of electronic spectra, as well as atmospheric scientists, photochemists, kineticists and professional spectroscopists.
All microbes, including bacteria, viruses, and fungi, can be classified and identified by matching a few peptides known to be unique to each organism. Identifying Microbes by Mass Spectrometry Proteomics describes ways to identify microorganisms using powerful new techniques combining hardware and software and yielding highly accurate methods for detection, identification, and classification of microbes. This straightforward technology can be used to detect unknown and unsequenced microorganisms as well as microbes in complex environmental samples. This book reviews various mass analyzers used for detection and describes ionization methods frequently used for analysis of microbial constituents, a necessary step in the preparation of mass spectrometry (MS) samples. The text also discusses diverse processing methods, which are used to analyze MS files for matching mass spectral profiles, and examines protein and nucleic acid sequence-based methods capable of classification and identification of microbial agents. The book also covers sample collection methods and specific sample preparation techniques. The text addresses using computer software and bioinformatics approaches for data mining to discriminate microbes using mass spectrometry proteomics (MSP). It also discusses historical pattern recognition-based methods and other approaches such as analysis of pyrolysis products, chemical ionization (CI) of fatty acid methyl esters, and MALDI-MS. The text contains examples of the application of the MSP technique for microbe detection and includes a survey of suitable and commercially available MS-based platforms. Successful applications include the identification of unknown microbes in honey bees associated with colony collapse disorder and the analysis of virus strains from the 2009 influenza pandemic. The final chapter outlines future trends in these groundbreaking uses of MS techniques, which are fast, not limited by sample type, and show potential in answering complex environmental questions.
This is the only book which deals with the correlatory comparison between hierarchical living systems and inorganic physical ones. The culmination of the book is the proposition of research to discover and understand the natural underlying level of organization which produces the descriptive commonality of life and physics. Traditional science eliminates life from its purview by its rejection of interrelationships as a primary content of systems. The conventional procedure of science is that of reductionism, whereby complex systems are dismantled to characterize lower level components, but virtually no attention is given to how to rebuild those systems-the underlying assumption is that analysis and synthesis are symmetrical. This book fulfills two main coupled functions. Firstly, it details hierarchy as the major formulation of natural complex systems and investigates the fundamental character of natural hierarchy as a widely transferable 'container' of structure and/or function - and this in the case of the new development of a representational or model hierarchy. Secondly, it couples this hierarchical description to that of the electronic properties of semiconductors, as a well-modeled canonical example of physical properties. The central thesis is that these two descriptions are comparable, if care is taken to treat logical and epistemological aspects with prudence: a large part of the book is composed of just this aspect of care for grounding consistency. As such great attention is given to correct assessment of argumentative features which are otherwise presumed 'known' but which are usually left uncertain. Development of the ideas is always based on a relationship between entity or phenomenon and their associated ecosystems, and this applies equally well to the consequent derivations of consciousness and information.
Quantum mechanical tunneling plays important roles in a wide range of natural sciences, from nuclear and solid-state physics to proton transfer and chemical reactions in chemistry and biology. Responding to the need for further understanding of multidimensional tunneling, the authors have recently developed practical methods that can be applied to multidimensional systems. Quantum Mechanical Tunneling in Chemical Physics presents basic theories, as well as original ones developed by the authors. It also provides methodologies and numerical applications to real molecular systems. The book offers information so readers can understand the basic concepts and dynamics of multidimensional tunneling phenomena and use the described methods for various molecular spectroscopy and chemical dynamics problems. The text focuses on three tunneling phenomena: (1) energy splitting, or tunneling splitting, in symmetric double well potential, (2) decay of metastable state through tunneling, and (3) tunneling effects in chemical reactions. Incorporating mathematics to explain basic theories, the text requires readers to have graduate-level math to grasp the concepts presented. The book reviews low-dimensional theories and clarifies their insufficiency conceptually and numerically. It also examines the phenomenon of nonadiabatic tunneling, which is common in molecular systems. The book describes applications to real polyatomic molecules, such as vinyl radicals and malonaldehyde, demonstrating the high efficiency and accuracy of the method. It discusses tunneling in chemical reactions, including theories for direct evaluation of reaction rate constants for both electronically adiabatic and nonadiabatic chemical reactions. In the final chapter, the authors touch on future perspectives.
Stimulated by the increasing importance of chiral molecules as pharmaceuticals and the need for enantiomerically pure drugs, techniques in chiral chemistry have been expanded and refined, especially in the areas of chromatography, asymmetric synthesis, and spectroscopic methods for chiral molecule structural characterization. In addition to synthetic chiral molecules, naturally occurring molecules, which are invariably chiral and generally enantiomerically enriched, are of potential interest as leads for new drugs. VCD Spectroscopy for Organic Chemists discusses the applications of vibrational circular dichroism (VCD) spectroscopy to the structural characterization of chiral organic molecules. The book provides all of the information about VCD spectroscopy that an organic chemist needs in order to make use of the technique. The authors, experts responsible for much of the existing literature in this field, discuss the experimental measurement of VCD and the theoretical prediction of VCD. In addition, they evaluate the advantages and limitations of the technique in determining molecular structure. Given the availability of commercial VCD instrumentation and quantum chemistry software, it became possible in the late 1990s for chemists to use VCD in elucidating the stereochemistries of chiral organic molecules. This book helps organic chemists become more aware of the utility of VCD spectroscopy and provides them with sufficient knowledge to incorporate the technique into their own research.
Molecular recognition, also known as biorecognition, is the heart of all biological interactions. Originating from protein stretching experiments, dynamic force spectroscopy (DFS) allows for the extraction of detailed information on the unbinding process of biomolecular complexes. It is becoming progressively more important in biochemical studies and is finding wider applications in areas such as biophysics and polymer science. In six chapters, Dynamic Force Spectroscopy and Biomolecular Recognition covers the most recent ideas and advances in the field of DFS applied to biorecognition:
Although DFS is a widespread, worldwide technique, no books focused on this subject have been available until now. Dynamic Force Spectroscopy and Biomolecular Recognition provides the state of the art of experimental data analysis and theoretical procedures, making it a useful tool for researchers applying DFS to study biorecognition processes.
Spectroscopic Techniques and Hindered Molecular Motion presents a united, theoretical approach to studying classical local thermal motion of small molecules and molecular fragments in crystals by spectroscopic techniques. Mono- and polycrystalline case studies demonstrate performance validity. The book focuses on small molecules and molecular fragments, such as N2, HCl, CO2, CH4, H2O, NH4, BeF4, NH3, CH2, CH3, C6H6, SF6, and other symmetrical atomic formations, which exhibit local hindered motion in molecular condensed media: molecular and ionic crystals, molecular liquids, liquid crystals, polymeric solids, and biological objects. It reviews the state of studying the hindered molecular motion (HMM) phenomenon and the experimental works on the basis of the latest theoretical research. Case Studies Physical models of hindered molecular motion General solution of the stochastic problem for the hindered molecular motion in crystals Formulae of the angular autocorrelation function symmetrized on the crystallographic point symmetry groups Formulae of the spectral line shapes concerning the dielectric, infrared, Raman, nuclear magnetic relaxation, and neutron scattering spectroscopy in the presence of the hindered molecular motion Experimental probation of the theoretical outcomes Proton relaxation in three-atomic molecular fragments undergoing axial symmetry hindered motion Structural distortion in the ordered phase of crystalline ammonium chloride Organic compounds, polymers, pharmaceutical products, and biological systems consist of the molecular fragments, which possess rotational or conformational degrees of freedom or an atomic exchange within the fragme
This volume presents a complete and thorough examination of advances in the instrumentation, evaluation, and implementation of UV technology for reliable and efficient data acquisition and analysis. It provides real-world applications in expanding fields such as chemical physics, plasma science, photolithography, laser spectroscopy, astronomy and atmospheric science.
Conjugated polymeric materials and their nanocomposites are widely used for the creation of alternative sources of renewable energy, cell phone screens, mobile gadgets, video players and OLED-TV, as well as organic diodes, transistors, sensors, etc. with field-dependent and spin-assisted electronic properties. Multifrequency EPR Spectroscopy methods can help researchers optimize their structural, magnetic and electronic properties for the creation of more efficient molecular devices. This book will acquaint the reader with the basic properties of conjugated polymers, the fundamentals of EPR Spectroscopy, and the information that can be obtained at different wavebands of EPR spectroscopy.
This book reviews advances in important and practically relevant homogeneous catalytic transformations, such as single-site olefin polymerizations and chemo- and stereo-selective oxidations. Close attention is paid to the experimental investigation of the active sites of catalytic oxidation systems and their mechanisms. Major subjects include the applications of NMR and EPR spectroscopic techniques and data obtained by other physical methods. The book addresses a broad readership and focus on widespread techniques available in labs with NMR and EPR spectrometers.
Reflecting the myriad changes and advancements in the technologies involved in FTIR, particularly the development of diamond ATRs, this second edition of Fundamentals of Fourier Transform Infrared Spectroscopy has been extensively rewritten and expanded to include new topics and figures as well as updates of existing chapters. Designed for those new to FTIR, but with enough reference material to appeal to journeyman and expert spectroscopists, this book does not demand any extensive familiarity with chemistry or physics. Specializing in concise and comprehensible explanations of FTIR topics, the author introduces the field of infrared spectroscopy, including the strengths and weaknesses of FTIR as a chemical analysis technique. He then describes the instrument itself and explores topics such as how an interferometer generates a spectrum, optimization of spectral quality, and which tests are used to monitor instrument health. The book discusses how to properly use spectral processing to increase the information of a spectrum without damaging the data and takes considerable care in instructing on sample preparation, as good sample preparation constitutes half the battle in extracting good data. The final chapters examine single analyte quantitative analysis and conclude with an overview of infrared microscopy. Drawing on the experience and knowledge of the author as both a professor and practitioner, Fundamentals of Fourier Transform Infrared Spectroscopy offers up-to-date information given in clear, easily understood language to appeal to beginner and expert spectroscopists alike. The author maintains a website and blog with supplemental material. His training course schedule is also available online.
Selecting illustrative examples from the recent literature, this reference studies the underlying principles and physics of a wide range of spectroscopic techniques utilized in the pharmaceutical sciences and demonstrates various applications for each method analyzed in the text-showing how knowledge of the mechanisms of spectroscopic phenomena may facilitate more advanced technologies in the field.
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.
Helping you better understand the processes, instruments, and methods of aerosol spectroscopy, Fundamentals and Applications in Aerosol Spectroscopy provides an overview of the state of the art in this rapidly developing field. It covers fundamental aspects of aerosol spectroscopy, applications to atmospherically and astronomically relevant problems, and several aspects that need further research and development. Chapters in the book are arranged in order of decreasing wavelength of the light/electrons. The text starts with infrared spectroscopy, one of the most important aerosol characterization methods for laboratory studies, field measurements, remote sensing, and space missions. It then focuses on Raman spectroscopy for investigating aerosol processes in controlled laboratory studies and for analyzing environmental particles and atmospheric pollution. The next section discusses the use of cavity ring-down spectroscopy to measure light extinction, laser-induced fluorescence spectroscopy to identify and classify biological aerosol particles, and ultrafast laser techniques to improve the specificity of bioaerosol detection. The final section examines recent developments involving novel techniques based on UV, x-ray, and electron beam studies. This book offers the first comprehensive overview of the spectroscopy of aerosols. It includes some results for the first time in the literature and presents a unique link between fundamental aspects and applications.
Spectroscopic Techniques and Hindered Molecular Motion presents a united, theoretical approach to studying classical local thermal motion of small molecules and molecular fragments in crystals by spectroscopic techniques. Mono- and polycrystalline case studies demonstrate performance validity. The book focuses on small molecules and molecular fragments, such as N2, HCl, CO2, CH4, H2O, NH4, BeF4, NH3, CH2, CH3, C6H6, SF6, and other symmetrical atomic formations, which exhibit local hindered motion in molecular condensed media: molecular and ionic crystals, molecular liquids, liquid crystals, polymeric solids, and biological objects. It reviews the state of studying the hindered molecular motion (HMM) phenomenon and the experimental works on the basis of the latest theoretical research. Case Studies Physical models of hindered molecular motion General solution of the stochastic problem for the hindered molecular motion in crystals Formulae of the angular autocorrelation function symmetrized on the crystallographic point symmetry groups Formulae of the spectral line shapes concerning the dielectric, infrared, Raman, nuclear magnetic relaxation, and neutron scattering spectroscopy in the presence of the hindered molecular motion Experimental probation of the theoretical outcomes Proton relaxation in three-atomic molecular fragments undergoing axial symmetry hindered motion Structural distortion in the ordered phase of crystalline ammonium chloride Organic compounds, polymers, pharmaceutical products, and biological systems consist of the molecular fragments, which possess rotational or conformational degrees of freedom or an atomic exchange within the fragme
Since the completion of the first edition of this book, major developments have occurred in the pharmaceutical industry that have shaped the field of near-infrared (NIR) spectroscopy. A new initiative from the U.S. Food and Drug Administration (FDA) to modernize regulations of pharmaceutical manufacturing and drug quality has helped position NIR spectroscopy as an effective tool for pharmaceutical testing. Pharmaceutical and Medical Applications of Near-Infrared Spectroscopy: Second Edition reflects these developments and brings readers an up-to-date summary of how this technique is being applied to pharmaceutical manufacturing. Topics include: The origins and principles of NIR spectroscopy, including early instrumentation, spectroscopic theory, and light-particle interaction The physics of each instrument type, the strengths and weaknesses of each, and the manufacturers that produce them The possible advantages of using NIR methods for monitoring or controlling blending, as well as practical concerns for mixing processes NIR spectroscopy as applied to traditional granulation, drug layering, and film coating of beads or granules Pharmaceutical assays, including qualitative analysis, quantitative analysis, determination of actives in tablets and capsules, and considerations for intact dosage form analysis Steps involved in the validation and acceptance of an NIR spectroscopy method, including quality assurance, qualification and verification of instruments, and the International Conference on Harmonization (ICH) guidelines Medical applications, including those related to blood glucose measurements, tissue and major organ analysis, fetal analysis, and cancer research Providing comprehensive coverage of NIR spectroscopy, from theory, mathematics, application, and mechanics of NIR analysis, the book supplies ample references to facilitate further rese
Presents chemical state imaging methods useful on distance scales ranging from individual atoms to millimeters. This work is intended for chemists familiar with modern spectroscopies, but includes tutorial material on basic imaging processes for those with little background in the field.
This book addresses Furnace Atomic Absorption Spectroscopy (FAAS), which has gained worldwide acceptance as an analytical technique. FAAS offers 100-1000 times better determination and detection limits than other techniques for a majority of the elements. This technique requires a small sample size, and demands less sample-preparation time than others. The handbook is a collection of thousands of references for detection and determination of various elements in agricultural products, biological and clinical samples, and metallurgical and electronic materials. Each chapter is devoted to an element or a similar group of elements. Included are instrumental setup parameters, references, and author and subject indexes. Also presented are detailed appendixes covering glossary, list of manufacturers of spectrophotometers and its accessories, list of chemical suppliers, and list of reviews and abstracts. The handbook covers topics such as heavy metals, clinical products, and trace metal analysis. This desk-top reference is meant for chemists who handle day-to-day analysis problems in laboratories in government, clinical, industrial and academic settings. It is invaluable for those involved in research in environmental science, analytical chemistry, clinical chemistry and forensic science.
Molecular recognition, also known as biorecognition, is the heart of all biological interactions. Originating from protein stretching experiments, dynamic force spectroscopy (DFS) allows for the extraction of detailed information on the unbinding process of biomolecular complexes. It is becoming progressively more important in biochemical studies and is finding wider applications in areas such as biophysics and polymer science. In six chapters, Dynamic Force Spectroscopy and Biomolecular Recognition covers the most recent ideas and advances in the field of DFS applied to biorecognition: Chapter 1: Reviews the basic and novel aspects of biorecognition and discusses the emerging capabilities of single-molecule techniques to disclose kinetic properties and molecular mechanisms usually hidden in bulk measurements Chapter 2: Describes the basic principle of atomic force microsocopy (AFM) and DFS, with particular attention to instrumental and theoretical aspects more strictly related to the study of biomolecules Chapter 3: Overviews the theoretical background in which experimental data taken in nonequilibrum measurements of biomolecular unbinding forces are extrapolated to equilibrium conditions Chapter 4: Reviews the most common and efficient strategies adopted in DFS experiments to immobilize the interacting biomolecules to the AFM tip and to the substrate Chapter 5: Presents and discusses the most representative aspects related to the analysis of DFS data and the challenges of integrating well-defined criteria to calibrate data in automatic routinary procedures Chapter 6: Overviews the most relevant DFS applications to study biorecognition processes, including the biotin/avidin pair, and selected results on various biological complexes, including antigen/antibody, proteins/DNA, and complexes involved in adhesion processes Chapter 7: Summarizes the main results obtained by DFS applied to study biorecognition processes with forthcoming theoretical and experimental advances Although DFS is a widespread, worldwide technique, no books focused on this subject have been available until now. Dynamic Force Spectroscopy and Biomolecular Recognition provides the state of the art of experimental data analysis and theoretical procedures, making it a useful tool for researchers applying DFS to study biorecognition processes.
Many books and reviews about scanning probe microscopies (SPM) cover the basics of their performance, novel developments, and state-of-the-art applications. Taking a different approach, Hybridizing Surface Probe Microscopies: Towards a Full Description of the Meso- and Nanoworlds encompasses the technical efforts in combining SPM with spectroscopic and optical complementary techniques that, altogether, provide a complete description of nanoscale and mesoscale systems and processes from corrosion to enzymatic reactions. The book is organized into eight chapters, following a general scheme that revolves around the two main capabilities of SPM: imaging and measuring interactions. Each chapter introduces key theoretical concepts and basic equations of the particular stand-alone technique with which the scanning probe microscopies are combined. Chapters end with the SPM-technique combination and some real-world examples in which the combination has been devised or used. Most chapters include a historical review of the techniques and numerous illustrations to support key ideas and provide the reader with intuitive understanding. To understand the limitations of any technique also means to understand how this technique works. This book has devoted a considerable amount of space in explaining the basics of each technique as they are being introduced. At the same time, it avoids explaining the particularities of each SPM-based technique and opts for a rather generalized approach. In short, the book's focus is not on what SPM can do, but rather on what SPM cannot do and, most specifically, on presenting the experimental approaches that circumvent these limitations.
Selecting illustrative examples from the recent literature, this reference studies the underlying principles and physics of a wide range of spectroscopic techniques utilized in the pharmaceutical sciences and demonstrates various applications for each method analyzed in the text-showing how knowledge of the mechanisms of spectroscopic phenomena may facilitate more advanced technologies in the field. |
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