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.

Many new methods directed to organic and inorganic syntheses of useful intermediates are being developed to specifically address green and sustainable chemistry principles. Highlighting the importance of green metrics, the Green Syntheses series focuses on how to reliably substantiate and validate the level of "greenness" of chemical processes, providing practical synthetic methodologies and metrics for a rigorous proof of "greenness." In Green Syntheses, Volume 1, the first book of its kind, the editors determine appropriate material efficiency green metrics and use them to compare syntheses provided by the chapter authors with those previously published. Presenting a new concept in green chemistry, this book demonstrates what future publications might look like if green principles are followed and also incorporate the important ethical aspect of supplying rigorous procedures in laboratory practice and evidence of greenness of a given synthesis protocol using metrics analysis. This inaugural volume initiates the much-needed transition from stating the 12 guiding principles on the philosophy of green chemistry to the actualization and verification of it. The book addresses primarily the issue of material efficiency metrics, which measure the amount of waste produced relative to desired product. In each contributed example, full experimental details are given showing all quantities of materials used in the procedure. Authors discuss the green merits of their protocols in conjunction with the results of a thorough metrics analysis, allowing for in-depth discussion of insights about synthesis strategy and performance characteristics of the new and prior cited plans.

Presenting the latest developments in the field for more than four decades, the Advances in Chromatography series is relied on by scientists and researchers for the most up-to-date information on a wide range of chromatographic methods and applications. Volume 52 continues this tradition with contributions by established, well-known chemists, offering cutting-edge reviews of chromatographic methods with applications in the life sciences. Featured topics include The history, development, and theory behind aerosol-based detectors Protein and peptide biomarkers that are chromatographic endpoints measured in biological fluids and tissues, such as serum, urine, and tissue biopsies Multisegment linear gradient optimization strategy in reversed-phase and hydrophilic interaction chromatographic systems Enantioselective gas chromatography performed using three distinct chiral stationary phases based on hydrogen bonding, metal ion complexation, and inclusion Analysis of the dynamic phenomena of liquid chromatographic systems with six typical reactions in the mobile phase Providing a clear presentation of topics and vivid illustrations for which this series has become known, the latest volume makes the material accessible and engaging to analytical, biochemical, organic, polymer, and pharmaceutical chemists at all levels of technical skill.

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.

This book provides a balanced blend of fundamental concepts of fabrication, characterization of conventional ceramics, extending to present the recent advances in ceramic membranes. It covers the basic concepts of ceramic membranes as well as practical and theoretical knowledge in conventional and advanced ceramic membranes combined with unorthodox ideas for novel approaches in ceramic membranes. Book includes lot of real time examples derived largely from research work by authors. Aimed at researchers, students and academics in the field of membrane engineering around the globe, it has following key features: Guides readers through manufacturing, characterizing and using low-cost ceramic technology. Provides an overview of the different types of ceramic membranes, catalytic reactors and their uses. Covers industrial application, separation and purification. Includes recent developments and advances in membrane fabrication. Discusses new raw materials for ceramic membranes.

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.

Used routinely in drug control laboratories, forensic laboratories, and as a research tool, thin layer chromatography (TLC) plays an important role in pharmaceutical drug analyses. It requires less complicated or expensive equipment than other techniques, and has the ability to be performed under field conditions. Filling the need for an up-to-date, complete reference, Thin Layer Chromatography in Drug Analysis covers the most important methods in pharmaceutical applications of TLC, namely, analysis of bulk drug material and pharmaceutical formulations, degradation studies, analysis of biological samples, optimization of the separation of drug classes, and lipophilicity estimation. The book is divided into two parts. Part I is devoted to general topics related to TLC in the context of drug analysis, including the chemical basis of TLC, sample pleparation, the optimization of layers and mobile phases, detection and quantification, analysis of ionic compounds, and separation and analysis of chiral substances. The text addresses the newest advances in TLC instrumentation, two-dimensional TLC, quantification by slit scanning densitometry and image analysis, statistical processing of data, and various detection and identification methods. It also describes the use of TLC for solving a key issue in the drug market-the presence of substandard and counterfeit pharmaceutical products. Part II provides an in-depth overview of a wide range of TLC applications for separation and analysis of particular drug groups. Each chapter contains an introduction about the structures and medicinal actions of the described substances and a literature review of their TLC analysis. A useful resource for chromatographers, pharmacists, analytical chemists, students, and R&D, clinical, and forensic laboratories, this book can be utilized as a manual, reference, and teaching source.

The applications of solvent extraction (SX) and liquid membranes (LM) span chemistry, metallurgy, hydrometallurgy, chemical/mineral processing, and waste treatment-making it difficult to find a single resource that encompasses fundamentals as well as advanced applications. Solvent Extraction and Liquid Membranes: Fundamentals and Applications in New Materials draws together a diverse group of internationally recognized experts to highlight key scientific and technological aspects of solvent extraction that are critical to future work in the field. The first chapters identify relevant thermodynamics, kinetics, and interfacial behavior principles and introduce methods for calculating extraction equilibria and kinetic parameters. The next chapters focus on engineering and technological aspects of various industrial processes and plant applications, including optimization and modeling tools and calculations. The final chapters examine new materials for metal extraction and separations, covering preparation and application processes for organic and inorganic sorbents, solid polymeric extractants, and solvent impregnated resins. Solvent Extraction and Liquid Membranes offers a comprehensive review of the most important principles, calculations, and procedures involved in this widely applicable separation technique. The book's pedagogical approach will benefit students and researchers in the field as well as working scientists and engineers who wish to apply solvent extraction to their own applications.

Focusing on what has been one of the driving forces behind the development of lab-on-a-chip devices, Separation Methods in Microanalytical Systems explores the implementation, realization, and operation of separation techniques and related complex workflows on microfabricated devices. The book details the design, manufacture, and integration of diverse components needed to perform an entire analytical procedure on a single miniaturized device. The content applies to a diversity of disciplines including chemical analysis, biomedical diagnostics, environmental monitoring, and drug discovery. Separation Methods in Microanalytical Systems lays its theoretical background in a way that scientists from varied disciplines can approach. The book describes factors that influence the performance of separation, such as microfluidic handling, sample pre-treatment, and detection. It also conveys fabrication and material issues, design challenges, and practical considerations. Several chapters describe specific separation techniques that are central to micro-Total Analysis Systems (-TAS) as well as novel methods and emerging trends in microchip-based separations. The book also provides an applications overview that supplies a wealth of examples that help scientists put their ideas in perspective with already existing solutions. This multi-authored volume offers different styles, approaches, and opinions for a given problem, reflecting the various angles researchers take to handle the same issues. A one-stop guide for understanding, designing, and working with separation techniques in microanalytical devices, Separation Methods in Microanalytical Systems is a valuable reference for scientists and engineers already preparing to meet the anticipated demand for function-specific chemical separation systems.

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.

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.

Computational Quantum Chemistry, Second Edition, is an extremely useful tool for teaching and research alike. It stipulates information in an accessible manner for scientific investigators, researchers and entrepreneurs. The book supplies an overview of the field and explains the fundamental underlying principles. It also gives the knowledge of numerous comparisons of different methods. The book consists of a wider range of applications in each chapter. It also provides a number of references which will be useful for academic and industrial researchers. It includes a large number of worked-out examples and unsolved problems for enhancing the computational skill of the users. Features Includes comprehensive coverage of most essential basic concepts Achieves greater clarity with improved planning of topics and is reader-friendly Deals with the mathematical techniques which will help readers to more efficient problem solving Explains a structured approach for mathematical derivations A reference book for academicians and scientific investigators Ram Yatan Prasad, PhD, DSc (India), DSc (hc) Colombo, is a Professor of Chemistry and former Vice Chancellor of S.K.M University, Jharkhand, India. Pranita, PhD, DSc (hc) Sri Lanka, FICS, is an Assistant Professor of Chemistry at Vinoba Bhave University, India.

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.

Accurate prediction of hydrological variables is essential for efficient water resources planning and management. Proper understanding of the characteristics of the time series may help in improving the simulation and forecasting accuracy of hydrological variables. This book presents a detailed description and application of multiscale time-frequency characterization tool for the spectral analysis of hydrological time series. It presents spectral analysis methods for hydrological applications through a wide variety of illustrative case studies including Wavelet transforms, Hilbert Huang Transform and their extensions.

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.

This book discusses flow perturbation method, namely, the stopped-flow technique and the reversed-flow technique. It is directed to those who need an accurate method for the determination of a certain physicochemical quantity and to researchers working on the development of gas chromatography.

This book on hollow fiber contractors presents an up-to-date compilation of the latest developments and milestones in this membrane technology. Hollow Fiber Membrane Contactors: Module Fabrication, Design and Operation, and Potential Applications provides a comprehensive discussion of hollow fiber membrane applications (including a few case studies) in biotechnology, chemical, food, and nuclear engineering. The chapters in this book have been classified using the following, based on different ways of contacting fluids with each other: Gas-liquid contacting; Liquid-liquid contacting; Supported liquid membrane; Supported gas membrane; Fluid-fluid contacting. Other features include: Discusses using non-dispersive solvent extraction, hollow fiber strip dispersion, hollow fiber supported liquid membranes and role of process intensification in integrated use of these processes Provides technical and economic perspectives with several case studies related to specific scenarios Demonstrates module fabrication, design, operation and maintenance of hollow fiber contactors for different applications and performance Presents discussion on newer concepts like membrane emulsification, membrane nanoprecipitation, membrane crystallization and membrane condenser Special focus on emerging areas such as the use of hollow fiber contactor in back end of nuclear fuel cycle, membrane distillation, dehumidification of air and gas absorption and stripping Discusses theoretical analysis including computational modeling of different hollow fiber membrane processes, and presents emphasis on newly developed area of hollow fiber membrane based analytical techniques Presents discussion on upcoming area dealing with hollow fiber contactors-based technology in fermentation and enzymatic transformation and in chiral separations This book is equally suited for newcomers to the field, as well as for engineers and scientists that have basic knowledge in this field but are interested in obtaining more information about specific future 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 50, the series editors have invited established, well-known chemists from across the globe to offer cutting-edge reviews on their areas of expertise. 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.

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.

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.

This detailed handbook covers different chromatographic analysis techniques and chromatographic data for compounds found in air, water, and soil, and sludge. The new edition outlines developments relevant to environmental analysis, especially when using chromatographic mass spectrometric techniques. It addresses new issues, new lines of discussion, and new findings, and develops in greater detail the aspects related to chromatographic analysis in the environment. It also includes different analytical methodologies, addresses instrumental aspects, and outlines conclusions and perspectives for the future.

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.