This book examines the history and fundamentals of the physical organic chemistry discipline. With the recent flowering of the organic synthesis field, physical organic chemistry has seemed to be shrinking or perhaps is just being absorbed into the toolkit of the synthetic chemist. The only Nobel Prize that can be reasonably attributed to a physical organic chemist is the 1994 award to George Olah, although Jeffrey I. Seeman has recently made a strong case that R. B. Woodward was actually a physical organic chemist in disguise (I). 2014 saw the awarding of the 50th James Flack Norris Award in Physical Organic Chemistry. James Flack Norris was an early physical organic chemist, before the discipline received its name. This book provides insight into the fundamentals of the field, and each chapter is devoted to a major discovery or to noted physical organic chemists, including Paul Schleyer, William Doering, and Glen A. Russell.

This book brings together the latest perspectives and ideas on teaching modern physical chemistry. It includes perspectives from experienced and well-known physical chemists, a thorough review of the education literature pertaining to physical chemistry, a thorough review of advances in undergraduate laboratory experiments from the past decade, in-depth descriptions of using computers to aid student learning, and innovative ideas for teaching the fundamentals of physical chemistry. This book will provide valuable insight and information to all teachers of physical chemistry.

Aggregation-induced emission (AIE) stands for an intriguing phenomenon in which a series of non-emissive molecules in solutions are induced to emit strongly in the aggregate or solid state. The concept of AIE was first coined by author Ben Zhong Tang in 2001, when he and his co-workers serendipitously discovered that 1-methyl-1,2,3,4,5-pentaphenylsilole was almost non-emissive in ethanol solution but became extremely bright in water-ethanol mixtures. Over the past 15 years, AIE has grown into a research field with high visibility and broad impact across both science and technology. Aggregation-Induced Emission: Materials and Applications summarizes the recent advances in AIE research, ranging from fundamentals, such as design, synthesis, and optical properties of AIE-active molecules, to mechanism studies supported by modeling and experimental investigations, and further to promising applications in the fields of energy, environment, and biology. The topics covered in Volume 2 include: AIE polymers; AIE-induced chirogenesis; Room-temperature phosphorescent AIE molecules; Liquid crystalline AIE molecules; AIE materials for energy devices; New chemo- and biosensors with AIE molecules; Cell structure and function imaging with AIE molecules; and AIE materials in drug delivery and therapy.

The role of the Maillard reaction in forming flavors from amino acid and sugar precursors has been studied for many years. To establish the basic chemistry of the reaction, researchers have used model systems, often solutions of a single amino acid with a single sugar. Despite the apparent simplicity of the system, heating such a solution can generate tens if not hundreds of compounds, which requires careful and time-consuming analysis to identify and quantify each component.
Data from the model systems has allowed researchers to study the pathways that lead to flavor formation, and various schemes have been proposed to identify the main "routes" that lead to flavor compounds. Such schemes have led to one of the main control principles, namely an understanding of the role of amino acids in forming some characteristic aromas, e.g., bread flavor from proline, as well as an appreciation of the role of C5 and C6 sugars in controlling the rate of reaction.
Recently, the formation of taste compounds through the Maillard reaction has been investigated and new potent compounds have been discovered that can contribute to the overall flavor formed during the Maillard reaction. These findings also offer the potential for control and manipulation of the Maillard reaction to form specific types of flavor. Although the nature of the end-products of the Maillard reaction in both food and model systems are well documented, applying these principles to control flavor formation in real foods has proved difficult.
This book describes recent research and developments related to the control of the Maillard reaction to give optimum flavor quality. These include kinetic modeling of the reaction, the effect of physical parameters (temperature, time, moisture content, pH), and the effect of chemical parameters (amino acid and sugar composition, the presence of other components). The topics covered relate to real food systems and reaction product flavorings, as well as model systems. Contributors from academia and industry have come together to provide an up to date overview of progress in this important area of flavor research.

Chemometrics and Chemoinformatics gives chemists and other scientists an introduction to the field of chemometrics and chemoinformatics. Chemometrics is an approach to analytical chemistry based on the idea of indirect observation. Measurements related to the chemical composition of a substance are taken, and the value of a property of interest is inferred from them through some mathematical relation. Basically, chemometrics is a process. Measurements are made, data is collected, and information is obtained to periodically assess and acquire knowledge. This, in turn, has led to a new approach for solving scientific problems: (1) measure a phenomenon or process using chemical instrumentation that generates data inexpensively, (2) analyze the multivariate data, (3) iterate if necessary, (4) create and test the model, and (5) develop fundamental multivariate understanding of the process. Chemoinformatics is a subfield of chemometrics, which encompasses the analysis, visualization, and use of chemical structural information as a surrogate variable for other data or information. The boundaries of chemoinformatics have not yet been defined. Only recently has this term been coined. Chemoinformatics takes advantage of techniques from many disciplines such as molecular modeling, chemical information, and computational chemistry. The reason for the interest in chemoinformatics is the development of experimental techniques such as combinatorial chemistry and high-throughput screening, which require a chemist to analyze unprecedented volumes of data. Access to appropriate algorithms is crucial if such experimental techniques are to be effectively exploited for discovery. Many chemists want to use chemoinformatic methods in their work but lack the knowledge required to decide which techniques are the most appropriate.

Following Ionic Liquids: Industrial Applications to Green Chemistry, SS #818, by the same editors, this book focuses on exciting new developments in ionic liquids.

Developing innovative efficient and sensitive spectroscopic and optical techniques for studying biomedically relevant molecules, structures and processes in vitro and in vivo is a field of rapidly growing interest. This symposium book covers novel and exciting approaches in biomedical spectroscopy. Several chapters deal with infrared and Raman spectroscopy. These complimentary vibrational spectroscopic techniques are capable of monitoring molecular structures as well as structural changes. Such studies are of interest for understanding diseases at a molecular level as well as for developing techniques for efficient early diagnosis based on molecular structural information. The chapters demonstrate also applications vibrational spectroscopy in proteomics and the characterization of micro organisms. The second section of the book introduces surface enhanced Raman scattering (SERS), demonstrates the application of the effect in the biomedical field and develops the concept of multifunctional nanosensors. The measurement of intrinsic optical signals from biological objects such as nerve tissue are discussed in the next section of the book. Chapters deal also with Coherent anti-Stokes Raman scattering (CARS) and fluorescence fluctuation spectroscopy. Other chapters illustrate how photons of very different energies, in the Terahertz and in the ultra violet range, can be used to retrieve molecular structural information from native biomolecules. The electrical properties of protein molecules adsorbed onto a gold substrate are studied by using a scanning Kelvin nanoprobe in a microarray format. The final chapters in the book demonstrate the powerful combination of different spectroscopic techniques for the characterization of biomolecules as well as native and engineered biomaterials. These chapters combine information from Raman and Inelastic Neutron Scattering, optical absorbance and energy dispersive X-ray analysis, positron annihilation lifetime spectroscopy (PALS), 1H NMR, and 129Xe NMR X-ray diffraction and fluorescence resonance energy transfer.

The purpose of this book is to provide an update on some of the latest research and applications in the broad field of ionic liquids. This volume spans research and development activities ranging from fundamental and experimental investigations to commercial applications. A brief history of the field is included, as well as both new developments and reviews organized in the general topical areas of applications, materials, biomass processing, and fundamental studies. This book attempts to propel the field forward by bringing together contributions from some of the foremost researchers on ionic liquids. Recent products and new large-scale processes using ionic liquids, both in operation and being announced, indicate that an exciting new chapter in this field is about to begin. The authors summarize some of the history, applications, conferences, books, databases, issues related to data quality and toxicity for researchers working in the field of ionic liquids and includes an overview for each proceeding chapter with an introduction about the authors.

This is the long awaited sequel to Classics in Total Synthesis, a book that has made its mark as a superb tool for educating students and practitioners alike in the art of organic synthesis since its introduction in 1996. In this highly welcomed new volume, K. C. Nicolaou and Scott A. Snyder discuss in detail the most impressive accomplishments in natural product total synthesis during the 1990s and the first years of the 21st century. While all of the features that made the first volume of Classics so popular and unique as a teaching tool have been maintained, in this new treatise the authors seek to present the latest techniques and advances in organic synthesis as they beautifully describe the works of some of the most renowned synthetic organic chemists of our time. Develops domino reactions, cascade sequences, biomimetic strategies, and asymmetric catalysis are systematically through the chosen synthesis Discusses the latest synthetic technologies in terms of mechanism and scope Includes new reactions, such as olefin metathesis, in mini-review style Abundant references for further reading CD with useful teaching material for lecturers is included with hardback version (ISBN 3-527-30685-4) Graduate students, educators, and researchers in the fields of synthetic and medicinal chemistry will wish to have a copy of this book in their collection as an indispensable companion that both augments and supplements the original Classics in Total Synthesis.
From reviews of "Classics in Total Synthesis":

.,." a volume, (..) which any chemist with an interest in synthetic organic chemistry will wish to acquire."
"JACS"

.,."this superb book (..) will be an essential purchase formany organic chemists."
"Nature"

More than four decades have passed since surface-enhanced Raman scattering (SERS) was discovered. In today's world SERS has been established as a plasmon-based spectroscopy with ultra-high sensitivity and versatility at the forefront of the developments in plasmonics. SERS has been developing with the advances in nanoscience and nanotechnology. The "SERS world" has grown up markedly for the last 20 years or so, and recently the wider concept of, plasmon-enhanced spectroscopy was born. Plasmon-enhanced spectroscopy contains not only SERS but also tip-enhanced Raman scattering (TERS), surface-enhanced infrared absorption (SEIRA), surface-enhanced fluorescence (SEF), and more. Through these novel spectroscopies various amazing properties of plasmons have become known, providing new exciting research fields. One of the main purposes of the book is to convey the enthusiastic discussion on plasmon-enhanced spectroscopy at the symposium to the scientific community. This book reports leading-edge advances in the theory of plasmonic enhancement and application of plasmon-enhanced spectroscopy to biology, chemistry, physics, materials science, and medicine. Many books have been published about SERS, but this may be the first time that a book on a wide area of plasmon-enhanced spectroscopy has ever been published. The book consists of two volumes; the second volume discusses TERS, SEIRA, and other topics related to plasmon-enhanced spectroscopy.

This series deals with important issues in stereochemistry, which is the three-dimensional spatial orientation of molecules, also called the chirality (or handedness) of molecules. Topics in Stereochemistry, previously edited by "the father of stereochemistry" Ernest L. Eliel, is a longstanding, successful series covering the most important advances in the field. The much-anticipated Volume 26 on stereochemical aspects of organolithium compounds includes chapters on Asymmetric Deprotonations Using Chiral Lithium Amide Bases, Self-Regeneration of Stereocenters (SRS) via Stereolabile Axially Chiral Intermediates, and more.

Engel and Reid's Physical Chemistry gives students a contemporary and accurate overview of physical chemistry while focusing on basic principles that unite the sub-disciplines of the field. The Third Edition continues to emphasize fundamental concepts and presents cutting-edge research developments that demonstrate the vibrancy of physical chemistry today.

More than four decades have passed since surface-enhanced Raman scattering (SERS) was discovered. In today's world SERS has been established as a plasmon-based spectroscopy with ultra-high sensitivity and versatility at the forefront of the developments in plasmonics. SERS has been developing with the advances in nanoscience and nanotechnology. The "SERS world" has grown up markedly for the last 20 years or so, and recently the wider concept of, plasmon-enhanced spectroscopy was born. Plasmon-enhanced spectroscopy contains not only SERS but also tip-enhanced Raman scattering (TERS), surface-enhanced infrared absorption (SEIRA), surface-enhanced fluorescence (SEF), and more. Through these novel spectroscopies various amazing properties of plasmons have become known, providing new exciting research fields. One of the main purposes of the book is to convey the enthusiastic discussion on plasmon-enhanced spectroscopy at the symposium to the scientific community. This book reports leading-edge advances in the theory of plasmonic enhancement and application of plasmon-enhanced spectroscopy to biology, chemistry, physics, materials science, and medicine. Many books have been published about SERS, but this may be the first time that a book on a wide area of plasmon-enhanced spectroscopy has ever been published. The book consists of two volumes; the first volume contains the introductory review by George Schatz followed by eight chapters, which are mainly concerned with SERS.

Bridging the gap between the multitude of advanced research articles and the knowledge newcomers to the field are looking for, this is a timely and comprehensive monograph covering the interdisciplinary topic of intramolecular charge transfer (ICT). The book not only covers the fundamentals and physico-chemical background of the ICT process, but also places a special emphasis on the latest experimental and theoretical studies that have been undertaken to understand this process and discusses key technological applications. After outlining the discovery of ICT molecules, the authors go on to discuss several important substance classes. They present the latest techniques for studying the underlying processes and show the interplay between charge transfer and the surrounding medium. Examples taken from nonlinear optics, viscosity and polarity sensors, and organic electronics testify to the vast range of applications. The result is a unique information source for experimentalists as well as theoreticians, from postgraduate students to researchers.

Metal-Catalyzed Asymmetric Hydrogenation, Volume 68 in the Advances in Catalysis series, fills the gap between journal papers and textbooks across diverse areas of catalysis research. For more than 60 years, this series has recorded and presented the latest progress in the field of catalysis, giving the scientific community comprehensive and authoritative reviews. Chapters in this new release include Asymmetric hydrogenation of functionalized olefins, Asymmetric hydrogenation of unfunctionalized olefins or with poorly coordinative groups, Asymmetric hydrogenation of imines, Asymmetric hydrogenation of ketones, Asymmetric hydrogenation in industry, and Computational insights into metal-catalyzed asymmetric hydrogenation. This series is an invaluable and comprehensive resource for chemical engineers and chemists working in the field of catalysis in both academia and industry, with this release focusing on solid acids, surface acidity and heterogeneous acid catalysis.

The fragment molecular orbital (FMO) method is a fast linear-scaling quantum-mechanical method employed by chemists and physicists all over the world. It provides a wealth of properties of fragments from quantum-chemical calculations, a bottomless treasure pit for data mining and machine learning. However, there is no user-friendly description of its usage in the widely employed quantum-chemical open-source software GAMESS, nor is there any book covering the usage of GAMESS in general. This leaves very many interested users to their own devices to get through a variety of problems with very cryptic descriptions of keywords in the program manual and no guide whatsoever as to what options should be set for particular scientific tasks. This book is the panacea to many frustrations.The main focus of the book is to build a solid bridge connecting FMO users to GAMESS, by giving a helpful introduction of various FMO methods as needed for particular problems found in computational chemistry, and describing in detail how to do these simulations and understand the results from the output of the program. The book also covers parallelization strategies for attaining high parallel efficiency in massively parallel computations, and provides means to analyze performance and design a solution for overcoming performance bottlenecks. A special section is devoted to dealing with problems in executing GAMESS, arising from computational environment and user errors. Finally, 14 carefully selected types of applications are discussed in detail, describing the input keywords and explaining where to find the main results in the text-based output.

Practical skills form the cornerstone of chemistry. However, the diversity of skills required in the laboratory means that a student's experience may be limited. While some techniques do require specific skills, many of them are transferable generic skills that are required throughout the subject area. Limited time constraints of the modern curriculum often preclude or minimise laboratory time. Practical Skills in Chemistry 3rd edition provides a general guidance for use in and out of practical sessions, covering a range of techniques from the basic to the more advanced. This 'one-stop' text will guide you through the wide range of practical, analytical and data handling skills that you will need during your studies. It will also give you a solid grounding in wider transferable skills such as teamwork, using information technology, communicating information and study skills. This edition has been enhanced and updated throughout to provide a complete and easy-to-read guide to the developing skills required from your first day through to graduation, further strengthening its reputation as the practical resource for students of chemistry and related discipline areas.

Over the last two decades, advances in the design, miniaturization, and analytical capabilities of portable X-ray fluorescence (pXRF) instrumentation have led to its rapid and widespread adoption in a remarkably diverse range of applications in research and industrial fields. The impetus for this volume was that, as pXRF continues to grow into mainstream use, analysts should be increasingly empowered with the right information to safely and effectively employ pXRF as part of their analytical toolkit. This volume provides introductory and advanced-level users alike with readings on topics ranging from basic principles of pXRF and qualitative and quantitative approaches, through to machine learning and artificial intelligence for enhanced applications. It also includes fundamental guidance on calibrations, the mathematics of calculating uncertainties, and an extensive reference index of all elements and their interactions with X-rays. Contributing authors have provided a wealth of information and case studies in industry-specific chapters. These sections delve into detail on current standard practices in industry and research, including examples from agricultural and geo-exploration sectors, research in art and archaeology, and metals industrial and regulatory applications. As pXRF continues to grow in use in industrial and academic settings, it is essential that practitioners continue to learn, share, and implement informed and effective use of this technique. This volume serves as an accessible guidebook and go-to reference manual for new and experienced users in pXRF to achieve this goal.

Aerosol science and engineering is a vibrant field of particle technology and chemical reaction engineering. The book presents a timely account of this interdisciplinary topic and its various application areas. It will be of interest to scientists or engineers active in aerosol physics, aerosol or colloid chemistry, atmospheric processes, and chemical, mechanical, environmental and/or materials engineering.