Spin Resonance Spectroscopy: Principles and Applications presents the principles, recent advancements and applications of nuclear magnetic resonance (NMR) and electron paramagnetic resonance (EPR) in a single multi-disciplinary reference. Spin resonance spectroscopic techniques through NMR and EPR are widely used by chemists, physicists, biologists and medicinal chemists. This book addresses the need for new spin resonance spectroscopy content while also presenting the principles, recent advancements and applications of NMR and EPR simultaneously. Ideal for researchers and students alike, the book provides a single source of NMR and EPR applications using a dynamic, holistic and multi-disciplinary approach.

This thesis uses a systems-level approach to study the cellular metabolism, unveiling new mechanisms and responses that were impossible to reach with traditional reductionists procedures. The results reported here have a potential application in areas like metabolic engineering and disease treatment. They could also be used in determining the accuracy of the gene essentiality of new genome-scale reconstructions. Different methods and techniques, within the contexts of Systems Biology and the field known as Complex Networks Analysis have been applied in this work to show different features of the robustness of metabolic networks. The specific issues addressed here range from pure topological aspec ts of the networks themselves to the balance of biochemical fluxes.

This book presents the fundamentals and the state of the art of the photophysics of molecular oxygen. The author examines optical transitions between the lowest-lying electronic states in molecular oxygen and how these transitions respond to perturbation, either from an organic molecule or from the plasmon field of a metal nanoparticle. We live on a planet filled with light and oxygen. The interaction between these two components forms the basis of excited state chemistry spanning the fields of synthetic organic chemistry, materials chemistry, molecular biology, and photodynamic treatment of cancer. Still, the fundamental ways in which oxygen is affected by light is an active subject of research and is continually being developed and rationalized. In this book, readers will learn that singlet oxygen, the excited state of oxygen that exhibits unique chemical reactivity, can be selectively made via direct optical excitation of oxygen in a sensitizer-free system. Readers will also discover that this approach can perturb living cells differently depending on the singlet oxygen "dose".

This book provides state-of-the-art information on how studies in applied theoretical organic chemistry are conducted. It highlights the many approaches and tools available to those interested in using computational chemistry to predict and rationalize structures and reactivity of organic molecules. Chapters not only describe theoretical techniques in detail, but also describe recent applications and offer practical advice.Authored by many of the world leaders in the field of applied theoretical chemistry, this book is perfect for both practitioners of computational chemistry and synthetic and mechanistic organic chemists curious about applying computational techniques to their research.Related Link(s)

This thesis offers a unique guide to the development and application of ultrasensitive optical microscopy based on light scattering. Divided into eight chapters, it covers an impressive range of scientific fields, from basic optical physics to molecular biology and synthetic organic chemistry. Especially the detailed information provided on how to design, build and implement an interferometric scattering microscope, as well as the descriptions of all instrumentation, hardware interfacing and image processing necessary to achieve the highest levels of performance, will be of interest to researchers now entering the field.

As the title suggests, we introduce a novel differential approach to solution thermodynamics and use it for the study of aqueous solutions. We evaluate the quantities of higher order derivative than the normal thermodynamic functions. We allow these higher derivative data speak for themselves without resorting to any model system. We thus elucidate the molecular processes in solution, (referred to in this book "mixing scheme"), to the depth equal to, if not deeper, than that gained by spectroscopic and other methods. We show that there are three composition regions in aqueous solutions of non-electrolytes, each of which has a qualitatively distinct mixing scheme. The boundary between the adjacent regions is associated with an anomaly in the third derivatives of G. The loci of the anomalies in the temperature-composition field form the line sometimes referred as "Koga line." We then take advantage of the anomaly of a third derivative quantity of 1-propanol in the ternary aqueous solution, 1-propanol - sample species - H2O. We use its induced change as a probe of the effect of a sample species on H2O. In this way, we clarified what a hydrophobe, or a hydrophile, and in turn, an amphiphile, does to H2O. We also apply the same methodology to ions that have been ranked by the Hofmeister series. We show that the kosmotropes (salting out, or stabilizing agents) are either hydrophobes or hydration centres, and that chaotropes (salting in, or destablizing agents) are hydrophiles.
- A new differential approach to solution thermodynamics
- A particularly clear elucidation of the mixing schemes in aqueous solutions
- A clear understandings on the effects of hydrophobes, hydrophiles, andamphiphiles to H2O
- A clear understandings on the effects of ions on H2O in relation to the Hofmeister effect
- A new differential approach to studies in muti-component aqueous solutions

There is currently significant interest in exploring and identifying new inorganic solar energy conversion systems based on Earth-abundant non-toxic materials for future sustainable energy applications and technologies. Developments in emergent inorganic absorbers are closely tied to the ability of researchers to correlate and predict device performance from structural and optical properties. The understanding of material structure and bonding and their effect on performance are key to developing guiding principles for design and screening of inorganic photovoltaic materials. Progress toward such understanding is facilitated by state-of-the-art tools for structural and electronic characterisation of semiconductor materials and interfaces, as well as device design and performance analysis. Further insight is provided by computer modelling and simulations. This volume brings together internationally leading scientists working in areas of material design and modelling, structural and electronic characterisation, and device design and performance analysis, to explore and exchange ideas on emerging inorganic thin-film photovoltaics based on Earth abundant non-toxic materials. In this volume, the topics covered include: Indium-free CIGS analogues Bulk and surface characterisation techniques of solar absorbers Novel chalcogenides, pnictides and defect-tolerant semiconductors Materials design and bonding

An Introduction to the Gas Phase is adapted from a set of lecture notes for a core first year lecture course in physical chemistry taught at the University of Oxford. The book is intended to give a relatively concise introduction to the gas phase at a level suitable for any undergraduate scientist. After defining the gas phase, properties of gases such as temperature, pressure, and volume are discussed. The relationships between these properties are explained at a molecular level, and simple models are introduced that allow the various gas laws to be derived from first principles. Finally, the collisional behavior of gases is used to explain a number of gas-phase phenomena, such as effusion, diffusion, and thermal conductivity.

Features twenty-five chapter contributions from an international array of distinguished academics based in Asia, Eastern and Western Europe, Russia, and the USA. This multi-author contributed volume provides an up-to-date and authoritative overview of cutting-edge themes involving the thermal analysis, applied solid-state physics, micro- and nano-crystallinity of selected solids and their macro- and microscopic thermal properties. Distinctive chapters featured in the book include, among others, calorimetry time scales from days to microseconds, glass transition phenomena, kinetics of non-isothermal processes, thermal inertia and temperature gradients, thermodynamics of nanomaterials, self-organization, significance of temperature and entropy. Advanced undergraduates, postgraduates and researchers working in the field of thermal analysis, thermophysical measurements and calorimetry will find this contributed volume invaluable. This is the third volume of the triptych volumes on thermal behaviour of materials; the previous two receiving thousand of downloads guaranteeing their worldwide impact.

Volume 6 Reviews in Computational Chemistry Kenny B. Lipkowitz and Donald B. Boyd This Series Brings together Respected Experts in the Field of Computer-Aided Molecular Research. Computational Chemistry is Increasingly used in Conjunction with Organic, Inorganic, Medicinal, Biological, Physical, and Analytical Chemistry, Biotechnology, Materials Science, and Chemical Physics. This Volume Examines Quantum Chemistry of Solvated Molecules, Molecular Mechanics of Inorganics and Organometallics, Modeling of Polymers, Technology of Massively Parallel Computing, and Productivity of Modeling Software. A Guide to Force Field Parameters and a New Software Compendium Round out This Volume. -From Reviews of the Series The Book Transfers a Working Knowledge of Existing Computational Methods and Programs to an Interested Reader and Potential user. Structural Chemistry It Can Be Recommended for Everyone Who Wants to Learn About the Present State of Development in Computational Chemistry. Angewandte Chemie, International Edition in English

The series Topics in Current Chemistry Collections presents critical reviews from the journal Topics in Current Chemistry organized in topical volumes. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field.

This book provides deep insight into the physical quantity known as chemical activity. The author probes deep into classical thermodynamics in Part I, and then into statistical thermodynamics in Part II, to provide the necessary background. The treatment has been streamlined by placing some background material in appendices. Chemical Activity is of interest not only to those in chemical thermodynamics, but also to chemical engineers working with mass transfer and its applications - for example, separation methods.

One of the few textbooks in the field, this volume deals with several aspects of the dynamics of colloids. A self-contained treatise, it fills the gap between research literature and existing books for graduate students and researchers. For readers with a background in chemistry, the first chapter contains a section on frequently used mathematical techniques, as well as statistical mechanics.

Some of the topics covered include:

- diffusion of free particles on the basis of the Langevin equation

-the separation of time, length and angular scales;

- the fundamental Fokker-Planck and Smoluchowski equations derived for interacting particles

- friction of spheres and rods, and hydrodynamic interaction of spheres (including three body interactions)

- diffusion, sedimentation, critical phenomena and phase separation kinetics

- experimental light scattering results.

For universities and research departments in industry this textbook makes vital reading.

This book describes advanced research on the structures and photochemical properties of polyatomic molecules and molecular clusters having various functionalities under cold gas-phase conditions. Target molecules are crown ethers, polypeptides, large size protonated clusters, metal clusters, and other complex polyatomic molecules of special interest. A variety of advanced frequency and time-domain laser spectroscopic methods are applied. The book begins with the principle of an experimental setup for cold gas-phase molecules and various laser spectroscopic methods, followed by chapters on investigation of specific molecular systems. Through a molecular-level approach and analysis by quantum chemical calculation, it is possible to learn how atomic and molecular-level interactions (van der Waals, hydrogen-bonding, and others) control the specific properties of molecules and clusters. Those properties include molecular recognition, induced fitting, chirality, proton and hydrogen transfer, isomerization, and catalytic reaction. The information will be applicable to the design of new types of functional molecules and nanoparticles in the broad area that includes applied chemistry, drug delivery systems, and catalysts.

Imaging by Nuclear Magnetic Resonance (NMR) has been established in clinical diagnosis and is conquering materials science with a rapidly expanding number of applications in basic research as well as product and quality control for fluid flow, elastomers, and polymer materials. This book will provide graduate students, scientists and engineers with an introduction to the field. It is the first book on the subject and is likely to become the standard text for years to come.

This book summarizes the main advances in the mechanisms of combustion processes. It focuses on the analysis of kinetic mechanisms of gas combustion processes and experimental investigation into the interrelation of kinetics and gas dynamics in gas combustion. The book is complimentary to the one previously published, The Modes of Gaseous Combustion.

This book is intended to provide a course of infrared spectroscopy for quantitative analysis, covering both bulk matter and surface/interface analyses. Although the technology of Fourier transform infrared (FT-IR) spectroscopy was established many years ago, the full potential of infrared spectroscopy has not been properly recognized, and its intrinsic potential is still put aside. FT-IR has outstandingly useful characteristics, however, represented by the high sensitivity for monolayer analysis, highly reliable quantitativity, and reproducibility, which are quite suitable for surface and interface analysis. Because infrared spectroscopy provides rich chemical information-for example, hydrogen bonding, molecular conformation, orientation, aggregation, and crystallinity-FT-IR should be the first choice of chemical analysis in a laboratory. In this book, various analytical techniques and basic knowledge of infrared spectroscopy are described in a uniform manner. In particular, techniques for quantitative understanding are particularly focused for the reader's convenience.

This book details the rigorous requirements for refractories designed for aluminium metallurgical processes: reduction, cast house, and anode production. The author describes requirements specific to the properties and structure of refractory materials that differentiate it from materials used for ferrous metallurgy, among others. A comparison is drawn between the properties and structure of refractories and carbon cathode materials from different points of view: from the perspective of physical chemistry and chemical interactions during the metallurgical process and from the aspect of designing reduction pots and furnaces to accommodate the lifetime of metallurgical aggregates that are a part of aluminum refractory processes.

Now available is the second edition of a book which has been described as ..".an exceptionally lucid, easy-to-read presentation... would be an excellent addition to the collection of every analytical chemist. I recommend it with great enthusiasm." (Analytical Chemistry)

N.R. Draper reviewed the first edition in Publication of the International Statistical Institute ..".discussion is careful, sensible, amicable, and modern and can be recommended for the intended readership."

The scope of the first edition has been revised, enlarged and expanded. Approximately 30% of the text is new. The book first introduces the reader to the fundamentals of experimental design. Systems theory, response surface concepts, and basic statistics serve as a basis for the further development of matrix least squares and hypothesis testing. The effects of different experimental designs and different models on the variance-covariance matrix and on the analysis of variance (ANOVA) are extensively discussed. Applications and advanced topics (such as confidence bands, rotatability, and confounding) complete the text. Numerous worked examples are presented.

The clear and practical approach adopted by the authors makes the book applicable to a wide audience. It will appeal particularly to those with a practical need (scientists, engineers, managers, research workers) who have completed their formal education but who still need to know efficient ways of carrying out experiments. It will also be an ideal text for advanced undergraduate and graduate students following courses in chemometrics, data acquisition and treatment, and design of experiments.