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Basics of Molecular Recognition explores fundamental recognition principles between monomers or macromolecules that lead to diverse biological functions. Based on the author's longtime courses, the book helps readers understand the structural aspects of macromolecular recognition and stimulates further research on whether molecules similar to DNA o
The importance of molecular recognition in chemistry and biology is reflected in a recent upsurge in relevant research, promoted in particular by high-profile initiatives in this area in Europe, the USA and Japan. Although molecular recognition is necessarily microscopic in origin, its consequences are de facto macroscopic. Accordingly, a text that starts with intermolecular interactions between simple molecules and builds to a discussion of molecular recognition involving larger scale systems is timely. This book was planned with such a development in mind. The book begins with an elementary but rigorous account of the various types of forces between molecules. Chapter 2 is concerned with the hydrogen bond between pairs of simple molecules in the gas phase, with particular reference to the preferred relative orientation of the pair and the ease with which this can be distorted. This microscopic view continues in chapter 3 wherein the nature of interactions between solute molecules and solvents or between two or more solutes is examined from the experimental standpoint, with various types of spectroscopy providing the probe of the nature of the interactions. Molecular recognition is central to the catalysis of chemical reactions, especially when bonds are to be broken and formed under the severe con straint that a specific configuration is to result, as in the production of enan tiotopically pure compounds. This important topic is considered in chapter 4.
The lock-and-key principle formulated by Emil Fischer as early as the end of the 19th century has still not lost any of its significance for the life sciences. The basic aspects of ligand-protein interaction may be summarized under the term 'molecular recognition' and concern the specificity as well as stability of ligand binding. Molecular recognition is thus a central topic in the development of active substances, since stability and specificity determine whether a substance can be used as a drug. Nowadays, computer-aided prediction and intelligent molecular design make a large contribution to the constant search for, e. g., improved enzyme inhibitors, and new concepts such as that of pharmacophores are being developed. An up-to-date presentation of an eternally young topic, this book is an indispensable information source for chemists, biochemists and pharmacologists dealing with the binding of ligands to proteins.
This volume presents articles on the developing field of molecular interactions, molecular recognition, crystal engineering, and structural determination of complex molecular systems. The approaches described are interdisciplinary in nature, reflecting the concept of the ISMRI series of symposia.
The design and use of chemosensors for ion and molecule recognition - a branch of supramolecular chemistry - have developed at an extraordinary rate. This imaginative and creative area involves work at the interface of organic and inorganic chemistry, physical chemistry, biology, medicine and environmental science and is providing new sensors based on the specific signal delivered by the analyte-probe reaction. The emergence of efficient fluorescent receptors has allowed the detection, identification, and even titration of, for example, heavy metal or radionuclide pollutants. Further, with sensors displaying specific and strong complexation properties, such materials could be detected and removed at very low concentrations. Further, among other species of biological interest, sugars, oxygen and carbon dioxide can actually be probed with optodes and similar devices. This is clearly just the beginning of a very promising line of research. Audience: Organic chemists interested in creating new chemosensors, as well as the many potential end users of such sensors.
The sustainable use of natural resources is an important global challenge, and improved metal sustainability is a crucial goal for the 21st century in order to conserve the supply of critical metals and mitigate the environmental and health issues resulting from unrecovered metals. Metal Sustainability: Global Challenges, Consequences and Prospects discusses important topics and challenges associated with sustainability in metal life cycles, from mining ore to beneficiation processes, to product manufacture, to recovery from end-of-life materials, to environmental and health concerns resulting from generated waste. The broad perspective presented highlights the global interdependence of the many stages of metal life cycles. Economic issues are emphasized and relevant environmental, health, political, industrial and societal issues are discussed. The importance of applying green chemistry principles to metal sustainability is emphasized. Topics covered include: • Recycling and sustainable utilization of precious and specialty metals • Formal and informal recycling from electronic and other high-tech wastes • Global management of electronic wastes • Metal reuse and recycling in developing countries • Effects of toxic and other metal releases on the environment and human health • Effect on bacteria of toxic metal release • Selective recovery of platinum group metals and rare earth metals • Metal sustainability from a manufacturing perspective • Economic perspectives on sustainability, mineral development, and metal life cycles • Closing the Loop – Minerals Industry Issues The aim of this book is to improve awareness of the increasingly important role metals play in our high-tech society, the need to conserve our metal supply throughout the metal life cycle, the importance of improved metal recycling, and the effects that unhindered metal loss can have on the environment and on human health.
Connects fundamental knowledge of multivalent interactions with current practice and state-of-the-art applications Multivalency is a widespread phenomenon, with applications spanning supramolecular chemistry, materials chemistry, pharmaceutical chemistry and biochemistry. This advanced textbook provides students and junior scientists with an excellent introduction to the fundamentals of multivalent interactions, whilst expanding the knowledge of experienced researchers in the field. Multivalency: Concepts, Research & Applications is divided into three parts. Part one provides background knowledge on various aspects of multivalency and cooperativity and presents practical methods for their study. Fundamental aspects such as thermodynamics, kinetics and the principle of effective molarity are described, and characterisation methods, experimental methodologies and data treatment methods are also discussed. Parts two and three provide an overview of current systems in which multivalency plays an important role in chemistry and biology, with a focus on the design rules, underlying chemistry and the fundamental principles of multivalency. The systems covered range from chemical/materials-based ones such as dendrimers and sensors, to biological systems including cell recognition and protein binding. Examples and case studies from biochemistry/bioorganic chemistry as well as synthetic systems feature throughout the book. Introduces students and young scientists to the field of multivalent interactions and assists experienced researchers utilising the methodologies in their work Features examples and case studies from biochemistry/bioorganic chemistry, as well as synthetic systems throughout the book Edited by leading experts in the field with contributions from established scientists Multivalency: Concepts, Research & Applications is recommended for graduate students and junior scientists in supramolecular chemistry and related fields, looking for an introduction to multivalent interactions. It is also highly useful to experienced academics and scientists in industry working on research relating to multivalent and cooperative systems in supramolecular chemistry, organic chemistry, pharmaceutical chemistry, chemical biology, biochemistry, materials science and nanotechnology.
Over the past 25 years, the molecular electrostatic potential has become firmly established as an effective guide to molecular interactions. With the recent advances in computational technology, it is currently being applied to a variety of important chemical and biological systems. Its range of applicability has expanded from primarily a focus on sites for electrophilic and nucleophilic attack to now include solvent effects, studies of zeolite, molecular cluster and crystal behavior, and the correlation and prediction of a wide range of macroscopic properties. Moreover, the increasing prominence of density functional theory has raised the molecular electrostatic potential to a new stature on a more fundamental conceptual level. It is rigorously defined in terms of the electron density, and has very interesting topological characteristics since it explicitly reflects opposing contributions from the nuclei and the electrons.This volume opens with a survey chapter by one of the original pioneers of the use of the electrostatic potential in studies of chemical reactivity, Jacopo Tomasi. Though the flow of the succeeding chapters is not stringently defined, the overall trend is that the emphasis changes gradually from methodology to applications. Chapters discussing more theoretical topics are placed near the end. Readers will find the wide variety of topics provided by an international group of authors both convincing and useful.
In additionto covering thoroughly the core areas of physical organic chemistry -structure and mechanism - this book will escortthe practitioner of organic chemistry into a field that has been thoroughlyupdated.
This book describes the scientific basis for the action of plant polyphenols in a wide range of phenomena.