Principles of Molecular Recognition


Book Description

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.




Principles of Molecular Recognition


Book Description

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.




Basics of Molecular Recognition


Book Description

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




Molecular Electrostatic Potentials


Book Description

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.




Design and Synthesis of Organic Molecules Based on Molecular Recognition


Book Description

A topic for a Solvay Conference should be general enough to conform with the great tradition of previous conferences. On the other hand it should not be so broad that it can not be covered during the limited time of the conference. After discussion of several such topics, "Design and Synthesis of Organic Molecules Based on Molecular Recognition" was chosen. According to Albert Einstein we live in an era of perfect methods and confused aims. For example in organic chemistry the known synthetic methods allow us to prepare an astronomical number of compounds; the gap between the possible and the relevant becomes larger every day. After discovery and classification of the main types of reactions, the study of the selectivity of reactions becomes of paramount importance. One can learn quite a lot from Nature, which uses molecular recognition to achieve selec tivity in a degree so far unattainable by mere mortals. To analyze the structural features applied by Nature, to accomplish high molecular recog nition, and to simulate these features by synthesis have recently become therefore favorite occupations of chemists. The purpose of this conference was to bring together two groups, the analysts and the syntheticists, to discuss the present status of the knowledge. This monograph contains the chairman's introduction in which he has summarized the main points at issue and the contributions of the renowned scientists who participated. The organizers hope that it will stimulate further research in this fascinating field.




Host-Guest Molecular Interactions


Book Description

Composed of contributions from experts in the chemical and biological sciences, it explores host-guest molecular interactions leading to the formation of molecular assemblies containing two or more species. Exciting applications are emerging in this field and it is expected that improved understanding of the interactions in synthetic host molecule complexes will lead to a better understanding of the more complex biological systems. Topics include biomimetic chemistry, preorganization, self-assembly, template-directed synthesis, antibiotic binding to peptides and DNA, interactions between proteins and other molecules.




Comprehensive Supramolecular Chemistry II


Book Description

Comprehensive Supramolecular Chemistry II, Second Edition, Nine Volume Set is a ‘one-stop shop’ that covers supramolecular chemistry, a field that originated from the work of researchers in organic, inorganic and physical chemistry, with some biological influence. The original edition was structured to reflect, in part, the origin of the field. However, in the past two decades, the field has changed a great deal as reflected in this new work that covers the general principles of supramolecular chemistry and molecular recognition, experimental and computational methods in supramolecular chemistry, supramolecular receptors, dynamic supramolecular chemistry, supramolecular engineering, crystallographic (engineered) assemblies, sensors, imaging agents, devices and the latest in nanotechnology. Each section begins with an introduction by an expert in the field, who offers an initial perspective on the development of the field. Each article begins with outlining basic concepts before moving on to more advanced material. Contains content that begins with the basics before moving on to more complex concepts, making it suitable for advanced undergraduates as well as academic researchers Focuses on application of the theory in practice, with particular focus on areas that have gained increasing importance in the 21st century, including nanomedicine, nanotechnology and medicinal chemistry Fully rewritten to make a completely up-to-date reference work that covers all the major advances that have taken place since the First Edition published in 1996




An Integrated View of the Molecular Recognition and Toxinology


Book Description

Molecular Toxinology has been consolidated as a scientific area focused on the intertwined description of several aspects of animal toxins. In an inquiring biotechnological world, animal toxins appear as an invaluable source for the discovery of therapeutic polypeptides. Animal toxins rely on specific chemical interactions with their partner molecule to exert their biological actions. The comprehension of how molecules interact and recognize their target is essential for the rational exploration of bioactive polypeptides as therapeutics. Investigation on the mechanism of molecular interaction and recognition offers a window of opportunity for the pharmaceutical industry and clinical medicine. Thus, this book brings examples of two interconnected themes - molecular recognition and toxinology concerning to the integration between analytical procedures and biomedical applications.




Rates and Equilibria of Organic Reactions as Treated by Statistical, Thermodynamic, and Extrathermodynamic Methods


Book Description

Graduate-level text stresses extrathermodynamic approach to quantitative prediction and constructs a logical framework that encompasses and classifies all known extrathermodynamic relationships. Numerous figures and tables. Author and Subject Indexes.




The Molecular Theory of Gases and Liquids


Book Description

An essential cross-disciplinary reference for molecular interactions Molecular Theory of Gases and Liquids offers a rigorous, comprehensive treatment of molecular characteristics and behaviors in the gaseous and fluid states. A unique cross-disciplinary approach provides useful insight for students of chemistry, chemical engineering, fluid dynamics, and a variety of related fields, with thorough derivations and in-depth explanations throughout. Appropriate for graduate students and working scientists alike, this book details advanced concepts without sacrificing depth of coverage or technical detail.