This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Volume 19 is centered on the theme of macroscopic modeling, and discusses topics such as: Monte Carlo simulation techniques, computing hydrophobicity, classical trajectory simulations within the Born-Oppenheimer approximation, and the theory behind the widely used Poisson-Boltzmann equation.

FROM REVIEWS OF THE SERIES

"Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."
–JOURNAL OF MOLECULAR GRAPHICS AND MODELLING

"One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."
–JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Analytical techniques are powerful tools in a chemist's armoury and this book identifies some of the most important chemical techniques currently in use, along with their applications. Aimed at those with some familiarity with modern chemical techniques, as well as those completely new to them, the book covers much of the basic theory without emphasising the mathematics and physics involved. Where appropriate, descriptions of the instrumentation and sample preparation are included, as are problems with example solutions. More advanced ideas are presented in highlighted boxes, so the novice can happily skip these if desired. Modern Chemical Techniques is based on a series of 'hands-on' symposia that enabled individuals to update their chemical skills and learn about the newest methods, techniques, and instrumentation available. The resource material presented at the symposia is published here, developed and extended into an accessible, illustrated book, making the valuable information it contained available to a much wider audience.

* Inclusion of realistic 3D simulations that behave very much like the real thing. This isn't just setting a value and reading something off the screen. These incorporate the physicality of the experiments, which might mean positioning yourself so that a moving needle can be seen accurately by using your position to remove parallax. * Based on academic research into teaching online. * Coverage of all of the required practicals (AQA). * Inclusion of background information on each experiment. * Detailed accounts of how to perform the experiment for real or with the simulation. * The simulations have the Association for Science's Green Tick of approval.

The Transmission Electron Microscope (TEM) is the ultimate tool to see and measure structures on the nanoscale and to probe their elemental composition and electronic structure with sub-nanometer spatial resolution. Recent technological breakthroughs have revolutionized our understanding of materials via use of the TEM, and it promises to become a significant tool in understanding biological and biomolecular systems such as viruses and DNA molecules. This book is a practical guide for scientists who need to use the TEM as a tool to answer questions about physical and chemical phenomena on the nanoscale.

The papers in this volume arose out of two workshops entitled "Confinement and Remediation of Environmental Hazards," and "Resource Recovery," as part of the IMA 1999-2000 program year. These workshops brought together mathematicians, engineers and scientists to summarize recent theoretical, computational, and experimental advances in the theory of phenomena in porous media. The first workshop focused on the mathematical problems which arise in groundwater transport of contamination, and the spreading, confinement and remediation of biological, chemical and radioactive waste. In the second conference, the processes underlying petroleum recovery and the geological time scale of deformation, flow and reaction in porous media were discussed. Simulation techniques were used to simulate complex domains with widely-ranging spatial resolution and types of physics. Probability funcional methods for determining the most probable state of the subsurface and related uncertainty were discussed. Practical examples included breakout from chemical and radioactive waste repositories, confinement by injection of pore plugging material and bioremediation of petroleum and other wastes. This volume will be of interest to subsurface science practitioners who would like a view of recent mathematical and experimental efforts to examine subsurface science phenomena related to resource recovery and remediation issues.

How should we understand the experience of encountering and interpreting images? What are their roles in science and medicine? How do they shape everyday life? Postphenomenology and Imaging: How to Read Technology brings together scholars from multiple disciplines to investigate these questions. The contributors make use of the "postphenomenological" philosophical perspective, applying its distinctive ideas to the study of how images are experienced. These essays offer both philosophical analysis of our conception of images and empirical studies of imaging practice. The contributors analyze concrete examples from a variety of fields of science and medicine, including radiology, neuroscience, cytology, physics, remote sensing, and space science. They also include examples of imaging in everyday life, from smartphone apps to animated GIFs. Edited by Samantha J. Fried and Robert Rosenberger, this collection includes an extensive "primer" chapter introducing and expanding the postphenomenological account of imaging, as well as a set of short pieces by "critical respondents": prominent scholars who may not self-identify as doing postphenomenology but whose adjacent work is illuminating.

Details the use of advanced AFMs and addresses all types of functional AFMs First book to focus on application of AFM for energy research Enables readers to operate an AFM successfully and to understand the data obtained Covers new achievements in AFM instruments, including higher speed and resolution, automatic and deep learning AFM, and how AFM is being combined with other new methods like IR and Raman microscopy

* Inclusion of realistic 3D simulations that behave very much like the real thing. This isn't just setting a value and reading something off the screen. These incorporate the physicality of the experiments, which might mean positioning yourself so that a moving needle can be seen accurately by using your position to remove parallax. * Based on academic research into teaching online. * Coverage of all of the required practicals (AQA). * Inclusion of background information on each experiment. * Detailed accounts of how to perform the experiment for real or with the simulation. * The simulations have the Association for Science's Green Tick of approval.

In the hopes of preserving these delightful devices for future generations, this collector of slide rules covers everything one could possibly want to know about this crude form of analog computer: from its invention in the 17th century to manufacturers- retailers, 1850-1998, and the Oughtred Soci

An award-winning science journalist details the quest to isolate and understand dark matter-and shows how that search has helped us to understand the universe we inhabit. When you train a telescope on outer space, you can see luminous galaxies, nebulae, stars, and planets. But if you add all that together, it constitutes only 15 percent of the matter in the universe. Despite decades of research, the nature of the remaining 85 percent is unknown. We call it dark matter. In The Elephant in the Universe, Govert Schilling explores the fascinating history of the search for dark matter. Evidence for its existence comes from a wealth of astronomical observations. Theories and computer simulations of the evolution of the universe are also suggestive: they can be reconciled with astronomical measurements only if dark matter is a dominant component of nature. Physicists have devised huge, sensitive instruments to search for dark matter, which may be unlike anything else in the cosmos-some unknown elementary particle. Yet so far dark matter has escaped every experiment. Indeed, dark matter is so elusive that some scientists are beginning to suspect there might be something wrong with our theories about gravity or with the current paradigms of cosmology. Schilling interviews both believers and heretics and paints a colorful picture of the history and current status of dark matter research, with astronomers and physicists alike trying to make sense of theory and observation. Taking a holistic view of dark matter as a problem, an opportunity, and an example of science in action, The Elephant in the Universe is a vivid tale of scientists puzzling their way toward the true nature of the universe.

Practical NMR Spectroscopy Laboratory Guide is designed to provide non-expert NMR users, typically graduate students in chemistry, an introduction to various facets of practical solution-state NMR spectroscopy. Each chapter offers a series of hands-on exercises, introducing various NMR concepts and experiments and guiding the reader in running these experiments using an NMR spectrometer. The book is written for use with a Bruker NMR spectrometer running TopSpin software versions 1 or 2. This practical resource functions both as a text for instructors of a practical NMR course and also as a reference for spectrometer administrators or NMR facility directors when doing user training. This guide serves as serve as excellent, practical resource on its own or as a companion book to Timothy Claridge's High-Resolution NMR Techniques in Organic Chemistry, 2nd Edition (Elsevier, 2009).

In its simplest form, the scientific method can be thought of as learning from our mistakes and trying to correct them. True scientists try to think rationally, never adopt dogmatic opinions and are always willing to listen to opposing views. They never claim to know the absolute truth but are relentless in their search for it. In this timely book, the author describes the fundamentals of critical scientific thinking. The book further examines the correct use of the scientific method and how to apply it to current events and scientific topics to obtain honest assessments. Current controversies discussed include climate change and COVID-related lockdowns. Additional Features include: Demonstrates the use of the scientific method to assist with objective analysis of issues. Addresses that induction plays a role but the true method for advancing knowledge is hypothesis-deduction. Explores current hot topics within the framework of the scientific method. Outlines common misunderstandings of the scientific method. Applying the Scientific Method to Learn from Mistakes and Approach Truth is approachable enough for the general public and recommended for university and advanced high school science educators and their students.

This spectacularly illustrated book celebrates the structural beauty of everyday materials and the space-age technologies used to probe their surface features and internal structures. It introduces the reader to the various instruments and their uses: scanning electron, ion, and tunneling microscopies, acoustic microscopy and transmission electron microscopy. The book describes how images are processed and analyzed, and how modern materials science is based on these techniques and their ability to "see" materials at the atomic level. The book includes hundreds of illustrations and 32 pages of beautiful color plates depicting the complex microscopic realm within such everyday materials as the metals used in cars and planes, polymer fabrics, ceramics, and the ubiquitous silicon semiconductors, without which society today would fall into disarray and confusion. The many full-color and black-and-white illustrations make this book a pleasure for the eye, in addition to being a useful resource for scientists, students, researchers, and engineers involved in solid-state physics, materials science, geology, and chemistry.

In its simplest form, the scientific method can be thought of as learning from our mistakes and trying to correct them. True scientists try to think rationally, never adopt dogmatic opinions and are always willing to listen to opposing views. They never claim to know the absolute truth but are relentless in their search for it. In this timely book, the author describes the fundamentals of critical scientific thinking. The book further examines the correct use of the scientific method and how to apply it to current events and scientific topics to obtain honest assessments. Current controversies discussed include climate change and COVID-related lockdowns. Additional Features include: Demonstrates the use of the scientific method to assist with objective analysis of issues. Addresses that induction plays a role but the true method for advancing knowledge is hypothesis-deduction. Explores current hot topics within the framework of the scientific method. Outlines common misunderstandings of the scientific method. Applying the Scientific Method to Learn from Mistakes and Approach Truth is approachable enough for the general public and recommended for university and advanced high school science educators and their students.

The 3rd International Multidisciplinary Microscopy Congress (InterM2015), held from 19 to 23 October 2015, focused on the latest developments concerning applications of microscopy in the biological, physical and chemical sciences at all dimensional scales, advances in instrumentation, techniques in and educational materials on microscopy. These proceedings gather 17 peer-reviewed technical papers submitted by leading academic and research institutions from nine countries and representing some of the most cutting-edge research available.

This volume is the first of its kind on focusing gamma-ray telescopes. Forty-eight refereed papers provide a comprehensive overview of the scientific potential and technical challenges of this nascent tool for nuclear astrophysics. The book features articles dealing with pivotal technologies such as grazing incident mirrors, multilayer coatings, Laue- and Fresnel-lenses - and even an optic using the curvature of space-time.

This book explores how machine learning can be used to improve the efficiency of expensive fundamental science experiments. The first part introduces the Belle and Belle II experiments, providing a detailed description of the Belle to Belle II data conversion tool, currently used by many analysts. The second part covers machine learning in high-energy physics, discussing the Belle II machine learning infrastructure and selected algorithms in detail. Furthermore, it examines several machine learning techniques that can be used to control and reduce systematic uncertainties. The third part investigates the important exclusive B tagging technique, unique to physics experiments operating at the resonances, and studies in-depth the novel Full Event Interpretation algorithm, which doubles the maximum tag-side efficiency of its predecessor. The fourth part presents a complete measurement of the branching fraction of the rare leptonic B decay "B tau nu", which is used to validate the algorithms discussed in previous parts.

Cell Membrane Nanodomains: From Biochemistry to Nanoscopy describes recent advances in our understanding of membrane organization, with a particular focus on the cutting-edge imaging techniques that are making these new discoveries possible. With contributions from pioneers in the field, the book explores areas where the application of these novel techniques reveals new concepts in biology. It assembles a collection of works where the integration of membrane biology and microscopy emphasizes the interdisciplinary nature of this exciting field. Beginning with a broad description of membrane organization, including seminal work on lipid partitioning in model systems and the roles of proteins in membrane organization, the book examines how lipids and membrane compartmentalization can regulate protein function and signal transduction. It then focuses on recent advances in imaging techniques and tools that foster further advances in our understanding of signaling nanoplatforms. The coverage includes several diffraction-limited imaging techniques that allow for measurements of protein distribution/clustering and membrane curvature in living cells, new fluorescent proteins, novel Laurdan analyses, and the toolbox of labeling possibilities with organic dyes. Since superresolution optical techniques have been crucial to advancing our understanding of cellular structure and protein behavior, the book concludes with a discussion of technologies that are enabling the visualization of lipids, proteins, and other molecular components at unprecedented spatiotemporal resolution. It also explains the ins and outs of the rapidly developing high- or superresolution microscopy field, including new methods and data analysis tools that exclusively pertain to these techniques. This integration of membrane biology and advanced imaging techniques emphasizes the interdisciplinary nature of this exciting field. The array of contributions from leading world experts makes this book a valuable tool for the visualization of signaling nanoplatforms by means of cutting-edge optical microscopy tools.

This volume contains the proceedin,r. of the NATO Advanced Study Institute on "Forces in Scanning Probe Methods which was CG-sponsered and organized by the "Forum fUr N anowissenschaften". The conference was held in Schluchsee in the south- em Black Forest (Germany) from March 7-18, 1994. 30 invited lecturers giving tuto- rial talks of historical and recent research activities and about 100 contributed, oral and poster presentations from 130 people participating, created a very active and lestimulating, lively atmosphere. The inventions of scanning tunneling microscopy, atomic force microscopy and near field optical microsocopy opened a new field of research, called scanning probe meth- ods (SPM). During the last decade, the quality of image acquisition made tremendous progress due to advanced data acquisition systems, low noise electronics and suitable mechan- ical and micromechanical constructions. However, a lot of fundamental, unsolved questions about the interaction between probing tip and sample remain. This vol- ume contains 60 contributions dedicated to these problems. Most of the articles are review articles presenting. condensed and relevant information in a way suitable for both students and specialists. Topics that are covered are instrumental aspects, de- signs of force microscopes in various environments, such as ambient pressure, low temperature, ultrahip vacuum and liquids. An important part of the workshop was dedicated to theory, Including all initio calculations and molecular dynamics simula- tions. Mechanical properties, such as adhesion, friction and wear, on the micrometer and nanometer scale were also treated intensively.

This volume focuses on fundamental aspects of nano-electro-optics. Starting with fiber probes and related devices for generating and detecting the optical near-field with high efficiency and resolution, the next chapter addresses the modulation of an electron beam by optical near-fields. Further topics include: fluorescence spectroscopy, in which sample molecules are excited by the evanescent surface plasmon field close to metallic surfaces; spatially resolved near-field photoluminescence spectroscopy of semiconductor quantum dots, which will become an essential issue in future electro-optical devices and systems; and, finally, the quantum theory of the optical near-field. This latter theory accounts for all the essential features of the interaction between optical near-fields and nanomaterials, atoms and molecules. Together these overviews will be a valuable resource for engineers and scientists working in the field of nano-electro-optics.

Incorporating the latest theoretical and experimental developments in the field over the past decade, Brainina and Neyman's Electroanalytical Stripping Methods focuses on the theory associated with the most progressive stripping electroanalytical methods (SEAMs) and their application to environmental monitoring and industry. Wherever appropriate, it highlights the main advantages of these methods, including their extremely low detection limit, the low cost of the instruments used, the possibility of speciation analysis, and their use in the investigation of solids as well as solutions. The combined work of two eminent researchers from the former Soviet Union, the book closes the previous information gap that existed between West and East and now makes accessible the most recent developments from Russia, including a different approach to initial electro-crystallization stages, the interconnection between voltammograms of binary metal systems and work functions, and the use of these phenomena in applied stripping voltammetry. Electroanalytical Stripping Methods also provides a critical assessment of current achievements in the field of electrode materials, and in the design of electrodes and electrochemical cells used in stripping methods. Here, the authors provide unique insight into the advantages of graphite electrodes - largely used in the East - over glassy carbon electrodes generally favored by the West. The book presents a number of other modern ideas, including the theory behind and the application of a new internal standard in stripping voltammetry...the catalysis of metals electrodeposition on the foreign substrate with adatoms...and the electrochemical transformation of solidsand adsorbates and their use in phase analysis and the investigation of the defect structure of solids. Electroanalytical Stripping Methods will prove to be an invaluable tool for professionals involved in environmental monitoring, helping them to develop and use trace analysis in evaluating drinking water, food, waste, and other solids and solutions and to apply stripping voltammetry to the analyses of chemicals. Researchers in the food, clinical, and pharmaceutical industries will similarly use the book to develop and apply SEAMs for trace analysis. Practitioners in the microelectronics industry will find useful information on solids that will help them improve the quality of catalyzers, films, special ceramics, and semiconductors. Finally, medical technicians will tap this resource for the insight it can provide in the electroanalysis of blood, urine, and other body fluids.

The purpose of this book is to provide the most comprehensive, easy-to-use, and informative guide on light microscopy. "Light and Video Microscopy" will prepare the reader for the accurate interpretation of an image and understanding of the living cell. With the presentation of geometrical optics, it will assist the reader in understanding image formation and light movement within the microscope. It also provides an explanation of the basic modes of light microscopy and the components of modern electronic imaging systems and guides the reader in determining the physicochemical information of living and developing cells, which influence interpretation.
* Brings together mathematics, physics, and biology to provide a broad and deep understanding of the light microscope
* Clearly develops all ideas from historical and logical foundations
* Laboratory exercises included to assist the reader with practical applications
* Microscope discussions include: bright field microscope, dark field microscope, oblique illumination, phase-contrast microscope, photomicrography, fluorescence microscope, polarization microscope, interference microscope, differential interference microscope, and modulation contrast microscope

Representing a new wave of research and analysis on Nazi human experiments and coerced research, the chapters in this volume deliberately break from a top-down history limited to concentration camp experiments under the control of Himmler and the SS. Instead the collection positions extreme experiments (where research subjects were taken to the point of death) within a far wider spectrum of abusive coerced research. The book considers the experiments not in isolation but as integrated within wider aspects of medical provision as it became caught up in the Nazi war economy, revealing that researchers were opportunistic and retained considerable autonomy. The sacrifice of so many prisoners, patients and otherwise healthy people rounded up as detainees raises important issues about the identities of the research subjects: who were they, how did they feel, how many research subjects were there and how many survived? This underworld of the victims of the elite science of German medical institutes and clinics has until now remained a marginal historical concern. Jews were a target group, but so were gypsies/Sinti and Roma, the mentally ill, prisoners of war and partisans. By exploring when and in what numbers scientists selected one group rather than another, the book provides an important record of the research subjects having agency, reconstructing responses and experiential narratives, and recording how these experiments - iconic of extreme racial torture - represent one of the worst excesses of Nazism.

Volume 16

Reviews In Computational Chemistry

Kenny B. Lipkowitz and Donald B. Boyd

The focus of this book is on methods useful in molecular design. Tutorials and reviews span (1) methods for designing compound libraries for combinatorial chemistry and high throughput screening, (2) the workings of artificial neural networks and their use in chemistry, (3) force field methods for modeling materials and designing new substances, and (4) free energy perturbation methods of practical usefulness in ligand design.

From Reviews of the Series

"This series spans all the subdisciplines in the field, from techniques to practical applications, and includes reviews from many of the acknowledged leaders in the field. the reviews cross many subdisciplines yet are both general enough to be of wide interest while including detailed information of use to workers in particular subdisciplines." –Journal of the American Chemical Society