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This book examines and summarises the developments and changes in the approach of organic and natural product chemists over the past years, presenting both the successes and inevitable missteps. These illustrate the process from molecular isolation and structural identification, synthesis and biosynthesis and future perspectives, including the development of biological engineering. The anticipated audience are chemistry-literate scientists who are interested both in specific aspects of natural product chemistry and the illustrative process of trial, error and success which defines the area.

This book presents experimental work conducted on the International Space Station (ISS) in order to characterize metals and alloys in the liquid state. The internationally recognized authors present and discuss experiments performed in microgravity that enabled the study of the relevant volume and surface related properties free of the restrictions of a gravity-based environment. The collection serves also as a handbook of space experiments using electromagnetic levitation techniques. A summary of recent results provides an overview of the wealth of space experiment data, which will ignite further research activities and inspire academics and industrial research departments for their continuous development.

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.

This handbook presents structural data on free polyatomic molecules. Since the structure of molecules defines the chemical, physical and biological properties of matter, this information is crucial for understanding, explaining and predicting chemical reactions and biochemical processes, developing new drugs and materials as well as studying interstellar media. Covering the structural data published between 2009 and 2017, this book supplements the previous Landolt–Börnstein volumes “Structure Data of Free Polyatomic Molecules” (eds. K. Kuchitsu, N. Vogt, M. Tanimoto), which included data from the literature published up to 2008. It systematizes and describes peculiarities of molecular structures for about 1000 compounds studied mainly by gas-phase electron diffraction and rotational spectroscopy. All structures are given in three-dimensional representations.

This handbook presents recent advances and offers a comprehensive reference resource covering the developments in and applications of macrocyclic supramolecular assembly, with a focus on their construction, structural characters and biological functions. The main topics addressed include: Construction and structure of macrocyclic supramolecular assembly – key building blocks, construction methods, structural motifs, and stimuli responsive controlApproach and technology – controllable synthesis, molecular recognition, spectral and thermodynamic study, supramolecular assembly at interfaces, orthogonal self-assembly, the supramolecular organic framwork (SOF), molecular induced aggregation, supramolecule assisted 3D printing, theoretical calculation and molecular simulation Biological applications – chemical and biological sensing, theranostic tools, molecule/ion channels, drug/gene delivery, supramolecule assisted biomolecule production, supramolecule assisted transmembrane transport, supramolecule assisted immunity regulation, supramolecule-based medicinal drug, etc. This handbook appeals to graduate and undergraduate students as well as scientists with interests in supramolecular chemistry, biochemistry, functional material and nanotechnology.

This book presents a new emerging concept of'Integrative Structural Biology'. It covers current trends of the molecular and cellular structural biology, providing new methods to observe, validate, and keep the structural models of the large cellular machines with recent scientific results. Structures of very large macromolecular machines in cells are being determined by combining observations from complementary experimental methods. Thus, this volume presents the each methods such as X-ray crystallography, NMR spectroscopy, 3DEM, small-angle scattering (SAS), FRET, crosslinking, and enables the readers to understand the hybrid methods. This book discusses how those integrative models should be represented, validated and archived. A unique highlight of this book is discussion of the data validation and archive, which are big problems in this filed along with the progress of this field. The researchers in biology will be interested inthis book as a guide book for learning the current structure biology, but also those in structure biology may use this book as a comprehensive reference to cover broad topics.

A comprehensive guide to privileged structures and their application in the discovery of new drugs The use of privileged structures is a viable strategy in the discovery of new medicines at the lead optimization stages of the drug discovery process. Privileged Structures in Drug Discovery offers a comprehensive text that reviews privileged structures from the point of view of medicinal chemistry and contains the synthetic routes to these structures. In this text, the author—a noted expert in the field—includes an historical perspective on the topic, presents a practical compendium to privileged structures, and offers an informed perspective on the future direction for the field. The book describes the up-to-date and state-of-the-art methods of organic synthesis that describe the use of privileged structures that are of most interest. Chapters included information on benzodiazepines, 1,4-dihydropyridines, biaryls, 4-(hetero)arylpiperidines, spiropiperidines, 2-aminopyrimidines, 2-aminothiazoles, 2-(hetero)arylindoles, tetrahydroisoquinolines, 2,2-dimethylbenzopyrans, hydroxamates, and bicyclic pyridines containing ring-junction nitrogen as privileged scaffolds in medicinal chemistry. Numerous, illustrative case studies document the current use of the privileged structures in the discovery of drugs. This important volume: Describes the drug compounds that have successfully made it to the marketplace and the chemistry associated with them Offers the experience from an author who has worked in many therapeutic areas of medicinal chemistry Details many of the recent developments in organic chemistry that prepare target molecules Includes a wealth of medicinal chemistry case studies that clearly illustrate the use of privileged structures Designed for use by industrial medicinal chemists and process chemists, academic organic and medicinal chemists, as well as chemistry students and faculty, Privileged Structures in Drug Discovery offers a current guide to organic synthesis methods to access the privileged structures of interest, and contains medicinal chemistry case studies that document their application.

In Reactions, bestselling author Theodore Gray demonstrates, through stunning, never-before-seen images and illustrations, how molecules interact and change in ways that are essential to our existence. With Reactions, Theodore Gray completes the journey through the chemical world that began with the tour de force The Elements and continued with Molecules. In The Elements Gray showed us a never-before-seen photographic view of the 118 elements in the periodic table. In Molecules, he showed us how the elements combine to form the matter that makes up our world. At last, we've arrived at the final step in the chemical process. Reactions begins with a recap of elements and molecules and the goes on to explain the concepts that characterize a chemical reaction, including energy, entropy, and time. Gray introduces us to his favorite reactions, from those characterized by ignition and explosion, to photosynthesis, to'The Boring Chapter'in which he dives deep into reactions like paint drying, grass growing, and water boiling. Reactions is the spectacular finale of the three-act chemical drama that Gray has illustrated for us over the years in his engaging, entertaining, and inimitable way.

This book is the outcome of an examination of single organic molecules through single-crystal X-ray techniques. The book is suitable for research scholars as it covers a complete analysis of novel oxazole derivatives by single-crystal X-ray techniques.

This book is designed for those who have had no more than a brief introduction to organic chemistry and who require a broad understanding of the subject. The book is in two parts. In Part I, reaction mechanism is set in its wider context of the basic principles and concepts that underlie chemical reactions: chemical thermodynamics, structural theory, theories of reaction kinetics, mechanism itself and stereochemistry. In Part II these principles and concepts are applied to the formation of particular types of bonds, groupings, and compounds. The final chapter in Part II describes the planning and detailed execution of the multi-step syntheses of several complex, naturally occurring compounds.

With extensive detailed spectral data, it contains a variety of problems designed by renowned authors to develop proficiency in organic structure determination. It presents a concept-based learning platform, introducing key concepts sequentially and reinforcing them with problems that exemplify the complexities and underlying principles that govern each concept.

Stereoelectronic Effects illustrates the utility of stereoelectronic concepts using structure and reactivity of organic molecules An advanced textbook that provides an up-to-date overview of the field, starting from the fundamental principles Presents a large selection of modern examples of stereoelectronic effects in organic reactivity Shows practical applications of stereoelectronic effects in asymmetric catalysis, photochemical processes, bioorganic chemistry and biochemistry, inorganic and organometallic reactivity, supramolecular chemistry and materials science

First reported in 2008, Pillararenes are a new class of macrocyclic hosts consisting of hydroquinone units linked at the para-position. With a composition similar to cucurbiturils and calixarenes, they combine the advantages and aspects of traditional hosts and have applications in sensing, material synthesis and biomedicine. Pillararenes starts with the historical background of macrocyclic compounds and then following chapters cover the synthesis of pillararenes, their structures, conformations and planar chirality. Dedicated chapters then cover their host-guest properties and supramolecular assemblies based on pillararenes including supramolecular polymers and mechanically interlocked molecules. Edited by the leader in the field, this is the first book to cover pillararenes and will appeal to graduate students, researchers and academics in supramolecular chemistry, organic chemistry, polymer chemistry and materials science interested in the chemistry and applications of pillararenes.

Pulse Dipolar Electron Spin Resonance: Distance Measurements by Peter P. Borbat, Jack H. Freed.Interpretation of Dipolar EPR Data in Terms of Protein Structure, by Gunnar Jeschke.Site-Directed Nitroxide Spin Labeling of Biopolymers, by Sandip A. Shelke and Snorri Th. Sigurdsson. Metal-Based Spin Labeling for Distance Determination, by Daniella Goldfarb. Structural Information from Spin-Labelled Membrane-Bound Proteins, by Johann P. KLare, Heinz-Jürgen Steinhoff. Structural Information from Oligonucleotides, by Richard Ward and Olav Schiemann. Orientation selective DEER using rigid spin labels, cofactors, metals, and clusters, by Claudia E. Tait, Alice M. Bowen, Christiane R. Timmel, Jeffrey Harmer

The theory, methods, and practices needed to build molecules and supramolecular systems Using a synthetic approach to organic materials chemistry, this book sets forth tested and proven methods and practices that make it possible to engineer organic molecules offering special properties and functions. Throughout the book, plenty of real-world examples demonstrate the countless possibilities of creating one-of-a-kind molecules and supramolecular systems to support a broad range of applications. The book explores applications in both materials and bioorganic chemistry, including molecular electronics, energy storage, sensors, nanomedicine, and enzyme engineering. Organic Synthesis and Molecular Engineering consists of fourteen chapters, each one contributed by one or more leading international experts in the field. The contributions are based on a thorough review and analysis of the current literature as well as the authors'firsthand experience in the lab engineering new organic molecules. Designed as a practical lab reference, the book offers: Tested and proven synthetic approaches to organic materials chemistry Methods and practices to successfully engineer functionality into organic molecules Explanations of the principles and concepts underlying self-assembly and supramolecular chemistry Guidance in selecting appropriate structural units used in the design and synthesis of functional molecules and materials Coverage of the full range of applications in materials and bioorganic chemistry A full chapter on graphene, a new topic generating intense research Organic Synthesis and Molecular Engineering begins with core concepts, molecular building blocks, and synthetic tools. Next, it explores molecular electronics, supramolecular chemistry and self-assembly, graphene, and photoresponsive materials engineering. In short, it offers everything researchers need to fully grasp the underlying theory and then build new molecules and supramolecular systems.

Why to apply solid-state NMR? - By now, we should have learned that NMR is mainly used for the study of molecules in solution, while x-ray diffraction is the method of choice for solids. Based on this fact, the two recent'NMR-Nobelprizes'went indeed into the liquid phase: my own one eleven years ago, and particularly the most recent one to Kurt Wuthrich. His prize is beyond any doubts very well justified. His contribution towards the study of biomolecules in solution, in their native (or almost native) environment is truly monumental. We all will profit from it indirectly when one of our future diseases will be cured with better drugs, based on the insightful knowledge gained through liquid-state NMR. Two fields of NMR are still left out of the Nobel Prize game: magnetic reso­ nance imaging (MRI) and solid-state NMR. The disrespect for MRI in Stockholm is particularly difficult to understand; but this is not a subject to be discussed at the present place. Solid-state NMR is the third of the three great fields of NMR, powerful already today and very promising for the near future.

'Imagination and shrewd guesswork are powerful instruments for acquiring scientific knowledge...'1. H. van't Hoff The last decades have witnessed a rapid growth of quantum chemistry and a tremendous increase in the number of very accurate ab initio calculations of the electronic structure of molecules yielding results of admirable accuracy. This dramatic progress has opened a new stage in the quantum mechanical description of matter at the molecular level. In the first place, highly accurate results provide severe tests of the quantum mecha­ nics. Secondly, modern quantitative computational ab initio methods can be synergetically combined with various experimen­ tal techniques thus enabling precise numerical characterization of molecular properties better than ever anticipated earlier. However, the role of theory is not exhausted in disclosing the fundamental laws of Nature and production of ever increasing sets of data of high accuracy. It has to provide additionally a means of systematization, recognition of regularities, and ratio­ nalization of the myriads of established facts avoiding in this way complete chaos. Additional problems are represented by molecular wavefunctions provided by the modern high-level computational quantum chemistry methods. They involve, in principle, all the information on molecular system, but they are so immensely complex that can not be immediately understood in simple and physically meaningful terms. Both of these aspects, categorization and interpretation, call for conceptual models which should be preferably pictorial, transparent, intuitively appealing and well-founded, being sometimes useful for semi­ quantitative purposes.

The Beauty of Chemistry in the Words of Writers and in the Hands of Scientists, by Margherita Venturi, Enrico Marchi und Vincenzo Balzani Living in a Cage Is a Restricted Privilege, by Luigi Fabbrizzi Inner and Outer Beauty, by Kenneth N. Raymond und Casey J. Brown The Mechanical Bond: A Work of Art, by Carson J. Bruns und J. Fraser Stoddart The Beauty of Knots at the Molecular Level, by Jean-Pierre Sauvage und David B. Amabilino

A thorough, accessible, and general overview of chemosensors Providing a comprehensive overview of chemosensors—organic molecules designed to bind and sense small molecules or metal ions—and their applications, Chemosensors: Principles, Strategies, and Applications is an accessible one-stop resource for analysts, clinicians, and graduate students studying advanced chemistry and chemosensing. Chemosensors function on a molecular level, generating a signal upon binding. The book reviews their synthesis, design, and applications for detecting biological and organic molecules as well as metal ions. The text highlights applications in drug discovery and catalyses that have not been well covered elsewhere. Covering such topics as molecular recognition, detection methods, design strategies, and important biological issues, the book is broken into four sections that examine intermolecular interactions, strategies in sensor design, detection methods, and case studies in metal, saccharide, and amino acid sensing. An indispensable source of information for chemical and biomedical experts using sensors, Chemosensors includes case studies to make the material both accessible and understandable to chemists of all backgrounds.

This book contains 30-40 quality 2D NMR data sets following an introductory section describing the methodology employed. Many other books describe the methods used, but none offer a large number of problems. Instructors at universities and colleges at the present time are forced to cobble together problems from a wide range of sources. The fragmentary approach to assembling course materials has a negative impact on course continuity and thus adversely impacts student retention. This book will stand as a single source to which instructors and students can go to obtain a comprehensive compendium of NMR problems of varying difficulty.• Presents strategies for assigning resonances to known structures and for deducing structures of unknown organic molecules based on their NMR spectra • Contains 20 known and 20 unknown structure determination problems • Features a supporting website from which instructors can download the structures of the unknowns in selected chapters, digital versions of all figures, and raw data sets for processing.

Aromaticity is among the most frequently used concepts in the chemical literature. Nevertheless, it has to be stressed that aromaticity is not an observable that could be directly obtained from molecular wave function. So, it remains as a controversial concept and its physical origin is still being debated. This has lead to multiple ways for assessing the aromatic or antiaromatic character of molecules. Thus, several indices of aromaticity have been proposed throughout the literature. It is well-known that aromaticity is strongly related to the electron delocalization of the electrons along all the centers of the ring. The introduction of the n-order density matrix, and development of n-center delocalization indices (n-DIs), has provided a quantitative tool to measure electron delocalization within a certain ring. Therefore, n-DIs can be regarded as a promising way to determine the actual role played by electron delocalization in aromaticity. n-DIs are found to be in line with most of the qualitative trends predicted by the harmonic oscillator model of aromaticity indices, HOMAs, aromaticity indices derived from the Chemical Graph Theory, properties of the ring critical points, and circuit resonance energies. It has to be noticed that the direct comparison of n-DIs computed for rings with a different number of centers does not provide a picture of relative aromatic stabilization. In fact, aromatic stabilization does not only depend on the extension of the electron delocalization over the n centers, but also on the number of centers. n-DIs dependence on the number of centers and electrons in a ring prevents to use their direct comparison as a measure of aromatic stabilization unless an appropriate scaling is applied. Effective Scaled Electron Delocalization indices, ESED, have been developed for comparing the total aromaticity of polyaromatic hydrocarbons. n-DIs exhibit very different behaviour for aromatic and antiaromatic hydrocarbons. Thus, an aromatic compound is one whose multicenter electron delocalization is larger than that of the corresponding linear structure, whereas an antiaromatic compound is one where the multicenter electron delocalization is smaller than that of the linear molecule. Those compounds that display very small differences between linear and cyclic structures may be called non-aromatic. n-DIs are also found as a promising tool to study the aromaticity of transition states in concerted processes. This book also reports on its application to the study of the aromaticity in all metal compounds.

Dendrimers are a new class of macromolecule increasingly used in the fields of synthetic organic chemistry, biology, medicine and biotechnology. Dendrimers in Medicine and Biotechnology: New Molecular Tools looks at this exciting and rapidly growing area of science. Using an interdisciplinary approach with particular emphasis on biological applications, the book discusses the relationship between the dendrimer molecular motif and its biological properties. A general introduction to the subject of dendrimers, including definitions of terms and symbols, is provided. Subsequent sections discuss topics including dendrimers in biological systems, dendrimers as drug delivery devices, dendrimers in diagnostics and dendrimer drugs. Throughout the book examples from current research are also provided. This book will appeal to a wide range of scientists, including non specialists who require an introduction to dendrimers, as well as those wishing to know more about the application of dendrimers in the field of biology and medicine.

This is a fascinating introduction to the topic. Spanning the spectrum of nucleic acid chemistry, carbohydrates, peptides, molecular recognition, biosynthesis and natural biosynthesis, right up to medical and biophysical chemistry, the book provides advanced students and those already working in the field with a balanced overview. In more than 30 contributions, a new generation of recognized scientists gives an account of the latest research in such areas as • Artificial receptors for the stabilization of?-sheet structures • Carbohydrate recognition by artificial receptors • Combinatorial chemistry as a tool for the discovery of catalysts • The interaction of NO and peroxynitrite with hemoglobin and myoglobin • Inhibitors against human mast-cell-tryptase as a potential approach to conquering asthma • The selectivity of DNA replication. A readily accessible survey for everyone wishing to stay abreast of developments. With a Foreword by Ronald Breslow.

Theory and experiment in chemistry today provide a wealth of data, but such data have no meaning unless they are correctly interpreted by sound and transparent physical models. Linus Pauling was a grandmaster in the modelling of molecular properties. Indeed, many of his models have served chemistry for decades and that has been his lasting legacy for chemists all over the world.The aim of this book is to put such simple models into the language of modern quantum chemistry, thus providing a deeper justification for many of Pauling's ideas and concepts. However, it should be stressed that many contributions to this work, written by some of the world's most prominent theoretical chemists, do not merely follow Pauling's footprints. By taking his example, they made bold leaps forward to overcome the limitations of the old models, thereby opening new scientific vistas.This book is an important contribution to the chemical literature. It is an almost obligatory textbook for postgraduate students and postdoctoral researchers in physical chemistry, chemical physics and advanced physical organic chemistry.

The first book on dendrimers! The authors, pioneers in this scientific field, describe basic principles and current developments in the rapidly evolving field of dendrimer research. All aspects of the subject are covered: the authors provide a historical overview, theoretical background, and discussions of the synthesis and applications of dendrimers. The book thus spans organic chemistry and more application-orientated disciplines like material science and pharmaceutical chemistry. The excellent, detailed list of references further increases the value of the book. The optimal presentation of the structural formulas of dendrimers - highly symmetrical giant molecules - helps the reader understand the sophisticated synthesis quickly. This book will set the standard for further monographs on this subject.

Protein Folding aims to collect the most important information in the field of protein folding and probes the main principles that govern formation of the three-dimensional structure of a protein from a nascent polypeptide chain, as well as how the functional properties appear. This text is organized into three sections and consists of 15 chapters. After an introductory chapter where the main problems of protein folding are considered at the cellular level in the context of protein biosynthesis, the discussion turns to the conformation of native globular proteins. Definitions and rules of nomenclature are given, including the structural organization of globular proteins deduced from X-ray crystallographic data. Folding mechanisms are tentatively deduced from the observation of invariants in the architecture of folded proteins. The next chapters focus on the energetics of protein conformation and structure, indicating the principles of thermodynamic stability of the native structure, along with theoretical computation studies of protein folding, structure prediction, and folding simulation. The reader is also introduced to various experimental approaches; the reversibility of the unfolding-folding process; equilibrium and kinetic studies; and detection and characterization of intermediates in protein folding. This text concludes with a chapter dealing with problems specific to oligomeric proteins. This book is intended for research scientists, specialists, biochemists, and students of biochemistry and biology.

Container Molecules and Their Guests deals with the fundamental principles and objectives that govern this rapidly developing subject and illustrates the emergence of a new field of biomimetic chemistry. The book demonstrates how a number of techniques, such as molecular modelling, synthesis, crystal structure, NMR solution structure and mass spectral structure determinations can be combined to develop a new branch of organic chemistry. It discusses the chemistry of completely new families of complexes - the carceplexes, hemicarceplexes and velcraplexes - and reviews for the first time the uses of the interiors of hemicarceplexes as a new phase for carrying out chemical reactions and for protecting unstable species. Furthermore, it illustrates how complexation and decomplexation rates are measured to provide free energies of binding, discusses new phenomena such as constrictive binding, and shows how solvophobic forces drive complexation in a variety of organic solvents. It also covers catalysis through complexation and chiral recognition in catalysis, both secondary themes of this volume. Container Molecules and Their Guests will provide stimulating reading for researchers, post-graduate students and teachers involved in bio-organic chemistry, organic chemistry, materials science, and medicinal and pharmaceutical chemistry.

Supramolecular chemistry concerns the structure and function of molecular assemblies formed through weak interactions. These complexes have found diverse applications in materials chemistry, nanoscience, catalysis, food sciences and medicine, and this has led to a rapid expansion in supramolecular chemistry research. With contributions from high profile international scientists working within the field, each book in the series covers a key concept for graduate level students and above interested in supramolecular chemistry and its diverse applications. The books are ideal for reference and as state-of-the art guides, and they aim to enable further developments of new applications through an understanding of the fundamentals and a comprehensive overview of the latest research.

Strained Organic Molecule, Volume 38 considers the vast field of strained organic molecules. The book discusses energy and entropy; cyclopropane and cyclobutane; and unique strained groupings or building blocks. The text also describes the aesthetics, rearrangements, and topology of polycycles; kinetic and thermodynamic stability; and tetrahedral tetracoordinate carbon. The inverted tetrahedra, propellanes, buttaflanes, and paddlanes; planar methane and its derivatives; and five- and six-coordinaste carbon are also considered. Chemists will find the book invaluable.