The thesis provides the necessary experimental and analytical tools to unambiguously observe the atomically resolved chemical reactions. A great challenge of modern science has been to directly observe atomic motions during structural transitions, and while this was first achieved through a major advance in electron source brightness, the information content was still limited and new methods for image reconstruction using femtosecond electron diffraction methods were needed. One particular challenge lay in reconciling the innumerable possible nuclear configurations with the observation of chemical reaction mechanisms that reproducibly give the same kind of chemistry for large classes of molecules. The author shows that there is a simple solution that occurs during barrier crossing in which the highly anharmonic potential at that point in nuclear rearrangements couples high- and low-frequency vibrational modes to give highly localized nuclear motions, reducing hundreds of potential degrees of freedom to just a few key modes. Specific examples are given in this thesis, including two photoinduced phase transitions in an organic system, a ring closure reaction, and two direct observations of nuclear reorganization driven by spin transitions. The emerging field of structural dynamics promises to change the way we think about the physics of chemistry and this thesis provides tools to make it happen.

This updated and revised edition of a classic work provides a summary of methods for numerical computation of high resolution conventional and scanning transmission electron microscope images. At the limits of resolution, image artifacts due to the instrument and the specimen interaction can complicate image interpretation. Image calculations can help the user to interpret and understand high resolution information in recorded electron micrographs. The book contains expanded sections on aberration correction, including a detailed discussion of higher order (multipole) aberrations and their effect on high resolution imaging, new imaging modes such as ABF (annular bright field), and the latest developments in parallel processing using GPUs (graphic processing units), as well as updated references. Beginning and experienced users at the advanced undergraduate or graduate level will find the book to be a unique and essential guide to the theory and methods of computation in electron microscopy.

Annual Reports on NMR Spectroscopy, Volume 93 provides a thorough and in-depth accounting of progress in nuclear magnetic resonance (NMR) spectroscopy and its many applications. This updated volume in this premier resource for both specialists and non-specialists focuses on NMR at Giga-Pascal Pressures, Ultrafast 2D NMR: Methods and Applications, Perspective on the Hyperpolarization Technique Signal Amplification by Reversible Exchange (SABRE) in NMR Spectroscopy and MR Imaging, and Recent Advances in 11B Solid-State Nuclear Magnetic Resonance Spectroscopy of Crystalline Solids, and Progress in Our Understanding of 19F Chemical Shifts, amongst other timely topics.

This book presents not only the simultaneous combination of optical methods based on holographic principles for marker-free imaging, real-time trapping, identification and tracking of micro objects, but also the application of substantial low coherent light sources and non-diffractive beams. It first provides an overview of digital holographic microscopy (DHM) and holographic optical tweezers as well as non-diffracting beam types for minimal-invasive, real-time and marker-free imaging as well as manipulation of micro and nano objects. It then investigates the design concepts for the optical layout of holographic optical tweezers (HOTs) and their optimization using optical simulations and experimental methods. In a further part, the book characterizes the corresponding system modules that allow the addition of HOTs to commercial microscopes with regard to stability and diffraction efficiency. Further, based on experiments and microfluidic applications, it demonstrates the functionality of the combined setup, and discusses several types of non-diffracting beams and their application in optical manipulation. The book shows that holographic optical tweezers, including several non-diffracting beam types like Mathieu beams, combined parabolic and Airy beams, not only open up the possibility of generating efficient multiple dynamic traps for micro and nano particles with forces in the pico and nano newton range, but also the opportunity to exert optical torque with special beams like Bessel beams, which can facilitate the movement and rotation of particles by generating microfluidic flows. The last part discusses the potential use of a slightly modified DHM-HOT-system to explore the functionality of direct laser writing based on a two photon absorption process in a negative photoresist with a continuous wave laser

The series Advances in Polymer Science presents critical reviews of the present and future trends in polymer and biopolymer science. It covers all areas of research in polymer and biopolymer science including chemistry, physical chemistry, physics, material science. The thematic volumes are addressed to scientists, whether at universities or in industry, who wish to keep abreast of the important advances in the covered topics. Advances in Polymer Science enjoys a longstanding tradition and good reputation in its community. Each volume is dedicated to a current topic, and each review critically surveys one aspect of that topic, to place it within the context of the volume. The volumes typically summarize the significant developments of the last 5 to 10 years and discuss them critically, presenting selected examples, explaining and illustrating the important principles, and bringing together many important references of primary literature. On that basis, future research directions in the area can be discussed. Advances in Polymer Science volumes thus are important references for every polymer scientist, as well as for other scientists interested in polymer science - as an introduction to a neighboring field, or as a compilation of detailed information for the specialist. Review articles for the individual volumes are invited by the volume editors. Single contributions can be specially commissioned. Readership: Polymer scientists, or scientists in related fields interested in polymer and biopolymer science, at universities or in industry, graduate students

Principles of Analytical Chemistry aims to ease the first contact of students pursuing different scientific and technical studies by providing them with a simple, general overview of the discipline. The objective of this innovative textbook is to teach rather than to inform. Using keywords of modern Analytical Chemistry, it constructs a teaching message accessible to the beginner, with emphasis on relations between these keywords to ensure consistency in the teaching contents of the book. Practical exercises, 450 questions for students, and 27 interactive seminars are used as vehicles for expounding a large number of examples in order to clarify and consolidate the text and facilitate its comprehension.

More than one and a half decades have passed since the last book was published describing developments in the analytical chemistry of synthetic colorants. In the intervening period, the scope and technical capabilities of instrumentation for analysing dyes and pigments has significantly expanded. It is now possible to rapidly resolve a number of problems whose solutions were previously either unattainable or very difficult to achieve. For instance, the unambiguous assignment of all the signals in the proton NMR spectrum of a trisazo direct dye, and the confirmation of the molecular weight of involatile, and, in particular, sulphonated dyes, without derivatisation, are now routine analytical techniques in many laboratories today. In addition, it is now possible to record the NMR spectrum of a dye molecule on less than 1 mg of material, and we are no longer limited to solution spectra, since solid samples can now be routinely analysed in NMR experiments. Whilst not attempting to be all encompassing, this volume is intended to bridge the gap between what was covered in the earlier work edited by Professor Venkataraman and the developments which have since ensued in some key areas. It provides important updates in X-ray crystallography, proton NMR, IR spectroscopy and mass spectrometry, and additionally covers topics such as ESR, micro spectrophotometry and emission spectroscopy.

This book presents quality technical papers representing the recent developments in the field of hydrological modeling, water management and water governance including practical applications. The content covers multifarious aspects of hydrology and water resources. It includes an application of the Hydrologic Modelling System (HEC-HMS) which has been successfully demonstrated for assessment of floods. The authors suggest an approach for the mitigation of cyclone disaster through a case study of the Phailin cyclone, whilst considering mitigating pluvial flooding, developing suitable management strategies. The book includes chapters discussing the detrended fluctuation analysis which is carried out for multifractal description of droughts. Drought characteristics are analyzed, and drought indices evolved for drought preparedness/management. The use of science in community planning under changing climate is also studied and discussed. The authors present and experimental study wherein hydraulic coefficients are calibrated by using vertical orifice. A cross flow hybrid hydrokinetic turbine is also evaluated for performance, and high head regulating radial gate designed and studied its sensitivity. This book will appeal to researchers, field practitioners, NGO and other Governmental as well as private water practitioners

This book covers virtually all aspects of semiconductor nanowires, from growth to related applications, in detail. First, it addresses nanowires' growth mechanism, one of the most important topics at the forefront of nanowire research. The focus then shifts to surface functionalization: nanowires have a high surface-to-volume ratio and thus are well-suited to surface modification, which effectively functionalizes them. The book also discusses the latest advances in the study of impurity doping, a crucial process in nanowires. In addition, considerable attention is paid to characterization techniques such as nanoscale and in situ methods, which are indispensable for understanding the novel properties of nanowires. Theoretical calculations are also essential to understanding nanowires' characteristics, particularly those that derive directly from their special nature as one-dimensional nanoscale structures. In closing, the book considers future applications of nanowire structures in devices such as FETs and lasers.

This book presents innovative research on soil nitrogen cycling and nitrate leaching with a view to improving soil management and fertiliser nitrogen use efficiency and reducing nitrogen leaching losses. In this regard, nitrogen-15 (15N)-labelled fertiliser was used as a biochemical and physical stable isotope tracer in laboratory and field experiments. The major outcome of the research was the development, validation and application of a new compound-specific amino acid 15N stable isotope probing method for assessing the assimilation of fertiliser nitrogen by soil microbial biomass. The novelty of the method lies in its tracing of incorporated nitrogen into newly biosynthesised microbial protein in time-course experiments using gas chromatography-combustion-isotope ratio mass spectrometry. The approach provides previously unattainable insights into the microbial processing of different nitrogen fertilisers in different soils. Further, it identifies the mechanistic link between molecular-scale processes and observations of field-scale fertiliser nitrogen immobilisation studies. The method and the results presented here will have far-reaching implications for the development of enhanced recommendations concerning farm-based soil management practices for increasing soil productivity and reducing nitrogen losses, which is essential to minimising environmental impacts.

This volume summarises recent developments and highlights new techniques which will define possible future directions for small molecule X-ray crystallography. It provides an insight into how specific aspects of crystallography are developing and shows how they may interact or integrate with other areas of science. The development of more sophisticated equipment and the massive rise in computing power has made it possible to solve the three-dimensional structure of an organic molecule within hours if not minutes. This successful trajectory has resulted in the ability to study ever more complex molecules and use smaller and smaller crystals. The structural parameters for over a million organic and organometallic compounds are now archived in the most commonly used database and this wealth of information creates a new set of problems for future generations of scientists. The volume provides some insight into how users of crystallographic structural data banks can navigate their way through a world where "big data" has become the norm. The coupling of crystallography to quantum chemical calculations provides detailed information about electron distributions in crystals affording a much more detailed analysis of bonding than has been possible previously. In quantum crystallography, quantum mechanical wavefunctions are used to extract information about bonding and properties from the measured X-ray structure factors. The advent of quantum crystallography has resulted in form and structure factors derived from quantum mechanics which have been used in advanced refinement and wavefunction fitting. This volume describes how quantum mechanically derived atomic form factors and structure factors are constructed to allow the improved description of the diffraction experiment. It further discusses recent developments in this field and illustrates their applications with a wide range of examples. This volume will be of interest to chemists and crystallographers with an interest in the synthesis, characterisation and physical and catalytic properties of solid-state materials. It will also be relevant for the community of computational chemists who study chemical systems. Postgraduate students entering the field will benefit from a historical introduction to the way in which scientists have used the data derived from crystallography to develop new structural and bonding models.

The reader is provided with information about methods of calibration of light sources and photodetectors as well as responsiveness of spectral instruments ranging from near infrared to vacuum UV spectral, 1200 - 100 nm, and radiation intensities of up to several quanta per second in absolute and arbitrary units. The author describes for the first time original methods of measurements they created and draws upon over 40 years of experience in working with light sources and detectors to provide accurate and precise measurements. This book is the first to cover these aspects of radiometry and is divided into seven chapters thatexamine information about terminology, units, light sources and detectors, methods, including author's original ones, of absolute calibration of detectors, spectral instruments responsiveness, absolute measurements of radiation intensity of photoprocesses, and original methods of their study. Of interest to researchers measuring; luminescence spectra, light intensities from IR to vacuum UV, spectral range in wide-light intensity ranges, calibrate light sources and detectors, absolute or relative quantum yields of photoprocess determination.

This book provides knowledge of the basic theory, spectral analysis methods, chemometrics, instrumentation, and applications of near-infrared (NIR) spectroscopy-not as a handbook but rather as a sourcebook of NIR spectroscopy. Thus, some emphasis is placed on the description of basic knowledge that is important in learning and using NIR spectroscopy. The book also deals with applications for a variety of research fields that are very useful for a wide range of readers from graduate students to scientists and engineers in both academia and industry. For readers who are novices in NIR spectroscopy, this book provides a good introduction, and for those who already are familiar with the field it affords an excellent means of strengthening their knowledge about NIR spectroscopy and keeping abreast of recent developments.

In the last 500 years, the worldwide community of chemistry has produced individuals who attempted to synthesize a coherent view of chemistry that could be taught to actual students. This book attempts to define the characteristics of good chemical preceptors. Even chemical geniuses can become so focused on their own work that they are not understood by the bulk of their contemporaries and cannot contribute to the synoptic view of chemistry needed for effective teaching. It is hoped that the insights presented in this work will be of benefit to all current preceptors in chemistry.

The introduction of contaminants, due to rapid urbanisation and anthropogenic activities, into the environment causes unsteadiness, distress to the physico-chemical systems including living organisms, which possibly is threatening the dynamics of nature as well as the soil biology by producing certain xenobiotics. Hence, there is an immediate global demand for the diminution of such contaminants and xenobiotics which can otherwise adversely affect the living organisms. Some toxic xenobiotics include synthetic organochlorides such as polycyclic aromatic hydrocarbons (PAHs), and some fractions of crude oil and coal. The advancements in microbiology and biotechnology has lead to the launch of microbial biotechnology as a separate area of research and contributed dramatically to the development of the areas like agriculture, environment, biopharmaceutics, fermented foods, etc. The evolution of new metabolic pathways from natural metabolic cycles has enabled the microorganisms to degrade almost all different complex and resistant xenobiotics found on Earth. Hence, microbes stand an imperative, efficient, green and economical alternative to conventional treatment technologies. This book comprises chapters dealing with various bioremediation strategies with the help of different groups of microorganisms along with detailed graphical/ diagrammatical representations. It also focuses on the use of microbial biotechnology and highlights the recent developments in microbial biotechnology in the area of agriculture and environment. Furthermore, it contains a detailed comprehensive account for the microbial treatment technologies from unsustainable to sustainable which includes chapters prepared by professionals, several researchers, scientists, graduate students and postdoctoral fellows across the world with expertise in environmental microbiology, biotechnology, bioremediation, and environmental engineering. The research presented also highlights some of the significantly important microbial species involved in remediation, the physiology, biochemistry and the mechanisms of remediation by various microbes, and suggestions for future improvement of bioremediation technology. This book would serve as a quick reference book for graduate and postgraduate students pursuing their study in any branch of life sciences, microbiology, health sciences and environmental biotechnology as well as researchers and scientists working in laboratories and industries involved in research related to microbiology, environmental biotechnology and allied researches.

The past three decades have witnessed the great success of lithium-ion batteries, especially in the areas of 3C products, electrical vehicles, and smart grid applications. However, further optimization of the energy/power density, coulombic efficiency, cycle life, charge speed, and environmental adaptability are still needed. To address these issues, a thorough understanding of the reaction inside a battery or dynamic evolution of each component is required. Microscopy and Microanalysis for Lithium-Ion Batteries discusses advanced analytical techniques that offer the capability of resolving the structure and chemistry at an atomic resolution to further drive lithium-ion battery research and development. * Provides comprehensive techniques that probe the fundamentals of Li-ion batteries. * Covers the basic principles of the techniques involved as well as its application in battery research. * Describes details of experimental set-ups and procedure for successful experiments. This reference is aimed at researchers, engineers, and scientists studying lithium-ion batteries including chemical, materials, and electrical engineers, as well as chemists and physicists.

This book describes current understandings and recent progress in four areas: in the first one, the cytochalasans, a group of fungal derived natural products characterized by a perhydro-isoindolone core fused with a macrocyclic ring are shown to exhibit high structural diversity and a broad spectrum of bioactivities. The second one is dedicated to a description of bioactive compounds from the medicinal plants of Myanmar, the third one is dedicated to new structure elucidation techniques in the field of sesquiterpenes. The last one discusses the endogenous natural products that are produced by human cells including endogenous amines, steroids, and fatty acid derived natural products. The co-metabolism and natural product production of the human microbiome is also described including tryptophan, bile acids, choline, and cysteine.

Covers material characterization techniques and the development of advanced characterization technology Includes multiple length scale characterization approaches for a large variety of materials, from nano- to micron-scale, as well as their constraints Discusses advanced material characterization technology in the microstructural and property characterization fields Reviews both practical and theoretical explanations of approaches for characterizing microstructure and properties Offers fundamentals, basic instrumentation details, experimental approaches, analyses, and applications with case studies

This book is an invaluable guide to calibrating any infrared spectrum using noble gases as a reference. Featuring a detailed graphical and tabular overview of highly excited (Rydberg) states of neutral noble gases in the infrared range of 700-7000 cm-1, it helps researchers by providing high-precision experimental data that can be used in almost every infrared spectroscopic laboratory.

For the research scientist without formal training in optics and spectroscopy, learning how to make multichannel spectroscopic measurements can be a toilsome, piecemeal affair, requiring extensive reading in original literature and specialized works outside his or her area of expertise. To add to the difficulties, such an undertaking, without proper guidance, invariably leads to countless hours wasted puzzling through a maze of unnecessary mathematics and technical dead ends. Thus, the enterprising analytical chemist or research scientist is often daunted in his or her efforts to learn how to choose and develop the right tools for the job, only to fall back on "leaving it up to the experts." Now, Multielement Detection Systems for Spectrochemical Analysis makes it possible for readers to rapidly develop the knowledge and skills they need to select, use, and tailor appropriate instrumentation for their spectroscopic analyses. One way it achieves those aims is through its unique, step-by-step format. Offering clear, concise explanations, it begins with basic concepts and principles, such as diffraction, interference, and multiplexing, and advances to more complex considerations in optics, transform techniques, solid-state physics, television technology, electron optics, and array-detector technology. And just as importantly, while other works in the field cover either fundamental principles or instrumentation, Multielement Detection Systems for Spectrochemical Analysis offers a balanced, unified treatment of both. It is both an excellent introduction to spectrographic fundamentals, and a comprehensive guide to image detection technology. Requiring only an undergraduate familiarity withelectronics and the principles of atomic absorption and emission spectrochemical instrumental analysis, this in-depth introduction and comprehensive guide follows a consistently clear, succinct style. Throughout, the level of mathematical complexity is kept to a minimum. Multielement Detection Systems for Spectrochemical Analysis is an essential tool for analytical chemists, as well as physicists, engineers, and anyone engaged in research in which optical spectroscopy is used.

This open access book is a pedagogical, examples-based guide to using the Monte Carlo N-Particle (MCNP (R)) code for nuclear safeguards and non-proliferation applications. The MCNP code, general-purpose software for particle transport simulations, is widely used in the field of nuclear safeguards and non-proliferation for numerous applications including detector design and calibration, and the study of scenarios such as measurement of fresh and spent fuel. This book fills a gap in the existing MCNP software literature by teaching MCNP software usage through detailed examples that were selected based on both student feedback and the real-world experience of the nuclear safeguards group at Los Alamos National Laboratory. MCNP input and output files are explained, and the technical details used in MCNP input file preparation are linked to the MCNP code manual. Benefiting from the authors' decades of experience in MCNP simulation, this book is essential reading for students, academic researchers, and practitioners whose work in nuclear physics or nuclear engineering is related to non-proliferation or nuclear safeguards. Each chapter comes with downloadable input files for the user to easily reproduce the examples in the text.

This Second edition of the flow injection analysis (FIA) text which has become a standard in the field in four languages, is written by two pioneers in the field, who have themselves discovered many of the techniques and designed much of the equipment employed in FIA. Newly revised to account for the many recent developments in FIA, this book presents the state--of--the--art in FIA theory, techniques, and future trends. Specific topics covered include continous--flow analyzers, chemical kinetics in an FIA system, theory of dispersion related to FIA, single--line FIA manifolds, FIA determinations based on separation processes, commercially available flow--injection analyzers, the FIA laboratory----a microconduit--based pedagogical system, review of the flow--injection literature, and flow injection analysis now and in the future.

This volume focuses on modelling the fate of chemicals in the environment and the human body to arrive at an integrated exposure assessment. It covers five broad topics, namely: future challenges in exposure assessment; the evolution of human health and environmental risk assessment; standard documentation for exposure models; modelling different environmental components (i.e. surface waters, atmosphere, soil, groundwater, plants, aquatic organisms and mammals); and the fate of contaminants in humans. This work draws on the authors' and editors' extensive experience and a range of different research activities, including case studies, that have led to the development of MERLIN-Expo, a standardised software package for simulating the fate of chemicals in the main environmental systems and in the human body in an integrated manner. It will be of considerable interest to researchers and students, risk managers, and policy- and decision-makers whose work involves environmental protection and human health.

The semiconductor industry is moving toward gas-phase reagents, increasing the relative importance of gas purity. Anyone who deals in the manufacturing of these devices needs to understand the technology available for modern gas analysis. Most specialty gas vendors have some re in place for quality assurance, but these usually are very simplistic and outdated methods. No book was available that gave guidance on providing accurate, reproducible data on specialty gas products. This is the first book that provides an introduction to current analytical methods and equipment for the analysis of high- purity gases used in the semiconductor industry and related fields.