Download or read book Attractive Edge to face Aromatic Interactions in Flexible Organic Molecules written by Bríd Marie Farrell and published by . This book was released on 1999 with total page 273 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis consists of five chapters. Chapter 1 is divided into two sections. The first section reviews the subject of aromatic-aromatic edge-to-face interactions with particular emphasis on intramolecular interactions in small flexible molecules. The second section discusses restricted rotation about sp2-sp2 carbon-carbon single bonds. Chapter 2, 3 and 4 describe the synthesis, stereochemistry and conformations of aryl substituted imines (chapter 2), nitrones, oxaziridines, amino acid analogues (chapter 3) and biphenyl derivatives (chapter 4). These molecules contain two terminal aromatic units and 1H NMR spectroscopic studies and X-ray crystallographic analyses indicate that many of these flexible molecules prefer a congested conformation with an intramolecular interaction between the aromatic residues. Variable temperature 1H NMR investigations on some representative compounds show that the chemical shift of the aromatic proton involved in the intramolecular aromatic edge-to-face interaction is strongly temperature dependent, moving downfield on lowering the temperature. This is rationalised in terms of a fast conformational equilibrium in solution between a "closed" edge-to-face conformer, where the proton at the ring "edge" experiences ring current shielding from the face of a proximate aryl ring, and "open" conformation where the aryl rings are remote. Spectroscopic evidence for atropisomerism was obtained in several imines, nitrones and biaryl compounds. Slow rotation about the 1,1'-s bond in some biaryl derivatives enabled the separation of the atropisomers. An estimate of the activation energy barrier associated with the internal rotation was obtained using a classical kinetic approach. Chapter 5 contains full experimental details of the compounds synthesised many of which are previously unreported.
Download or read book Lead Generation 2 Volume Set written by Jörg Holenz and published by John Wiley & Sons. This book was released on 2016-06-27 with total page 818 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this comprehensive two-volume resource on the topic senior lead generation medicinal chemists present a coherent view of the current methods and strategies in industrial and academic lead generation. This is the first book to combine both standard and innovative approaches in comparable breadth and depth, including several recent successful lead generation case studies published here for the first time. Beginning with a general discussion of the underlying principles and strategies, individual lead generation approaches are described in detail, highlighting their strengths and weaknesses, along with all relevant bordering disciplines like e.g. target identification and validation, predictive methods, molecular recognition or lead quality matrices. Novel lead generation approaches for challenging targets like DNA-encoded library screening or chemical biology approaches are treated here side by side with established methods as high throughput and affinity screening, knowledge- or fragment-based lead generation, and collaborative approaches. Within the entire book, a very strong focus is given to highlight the application of the presented methods, so that the reader will be able to learn from real life examples. The final part of the book presents several lead generation case studies taken from different therapeutic fields, including diabetes, cardiovascular and respiratory diseases, neuroscience, infection and tropical diseases. The result is a prime knowledge resource for medicinal chemists and for every scientist involved in lead generation.
Download or read book Lead Generation written by Jörg Holenz and published by John Wiley & Sons. This book was released on 2016-03-16 with total page 824 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this comprehensive two-volume resource on the topic senior lead generation medicinal chemists present a coherent view of the current methods and strategies in industrial and academic lead generation. This is the first book to combine both standard and innovative approaches in comparable breadth and depth, including several recent successful lead generation case studies published here for the first time. Beginning with a general discussion of the underlying principles and strategies, individual lead generation approaches are described in detail, highlighting their strengths and weaknesses, along with all relevant bordering disciplines like e.g. target identification and validation, predictive methods, molecular recognition or lead quality matrices. Novel lead generation approaches for challenging targets like DNA-encoded library screening or chemical biology approaches are treated here side by side with established methods as high throughput and affinity screening, knowledge- or fragment-based lead generation, and collaborative approaches. Within the entire book, a very strong focus is given to highlight the application of the presented methods, so that the reader will be able to learn from real life examples. The final part of the book presents several lead generation case studies taken from different therapeutic fields, including diabetes, cardiovascular and respiratory diseases, neuroscience, infection and tropical diseases. The result is a prime knowledge resource for medicinal chemists and for every scientist involved in lead generation.
Download or read book Computational Medicinal Chemistry for Drug Discovery written by Patrick Bultinck and published by CRC Press. This book was released on 2003-12-17 with total page 829 pages. Available in PDF, EPUB and Kindle. Book excerpt: Observing computational chemistry's proven value to the introduction of new medicines, this reference offers the techniques most frequently utilized by industry and academia for ligand design. Featuring contributions from more than fifty pre-eminent scientists, Computational Medicinal Chemistry for Drug Discovery surveys molecular structure computation, intermolecular behavior, ligand-receptor interaction, and modeling responding to market demands in its selection and authoritative treatment of topics. The book examines molecular mechanics, semi-empirical methods, wave function-based quantum chemistry, density functional theory, 3-D structure generation, and hybrid methods.
Download or read book Nuclear Magnetic Resonance written by G A Webb and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 588 pages. Available in PDF, EPUB and Kindle. Book excerpt: As a spectroscopic method, Nuclear Magnetic Resonance (NMR) has seen spectacular growth over the past two decades, both as a technique and in its applications. Today the applications of NMR span a wide range of scientific disciplines, from physics to biology to medicine. Each volume of Nuclear Magnetic Resonance comprises a combination of annual and biennial reports which together provide comprehensive of the literature on this topic. This Specialist Periodical Report reflects the growing volume of published work involving NMR techniques and applications, in particular NMR of natural macromolecules which is covered in two reports: "NMR of Proteins and Acids" and "NMR of Carbohydrates, Lipids and Membranes". For those wanting to become rapidly acquainted with specific areas of NMR, this title provides unrivalled scope of coverage. Seasoned practitioners of NMR will find this an in valuable source of current methods and applications. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis.
Download or read book HPLC for Pharmaceutical Scientists written by Yuri V. Kazakevich and published by John Wiley & Sons. This book was released on 2007-02-16 with total page 1136 pages. Available in PDF, EPUB and Kindle. Book excerpt: HPLC for Pharmaceutical Scientists is an excellent book for both novice and experienced pharmaceutical chemists who regularly use HPLC as an analytical tool to solve challenging problems in the pharmaceutical industry. It provides a unified approach to HPLC with an equal and balanced treatment of the theory and practice of HPLC in the pharmaceutical industry. In-depth discussion of retention processes, modern HPLC separation theory, properties of stationary phases and columns are well blended with the practical aspects of fast and effective method development and method validation. Practical and pragmatic approaches and actual examples of effective development of selective and rugged HPLC methods from a physico-chemical point of view are provided. This book elucidates the role of HPLC throughout the entire drug development process from drug candidate inception to marketed drug product and gives detailed specifics of HPLC application in each stage of drug development. The latest advancements and trends in hyphenated and specialized HPLC techniques (LC-MS, LC-NMR, Preparative HPLC, High temperature HPLC, high pressure liquid chromatography) are also discussed.
Download or read book Index Medicus written by and published by . This book was released on 2002 with total page 1732 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vols. for 1963- include as pt. 2 of the Jan. issue: Medical subject headings.
Download or read book I Design Synthesis and Biological Evaluation of New Analogs of Bryostatin II Investigations Into the Mode of Action of Apoptolidin A written by Jeremy L. Baryza and published by . This book was released on 2005 with total page 574 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Index to Theses with Abstracts Accepted for Higher Degrees by the Universities of Great Britain and Ireland and the Council for National Academic Awards written by and published by . This book was released on 2000 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt: Theses on any subject submitted by the academic libraries in the UK and Ireland.
Download or read book Aromatic Interactions written by Darren W. Johnson and published by Royal Society of Chemistry. This book was released on 2016-11-24 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of aromatic interactions, the fundamental nature of substituent effects and the identification of contacts between anions and aromatic systems have generated stimulating arguments in recent years. New theoretical frameworks have been developed and tested and aromatic interactions have emerged as potential solutions for varied problems in biology and materials science. This book provides a wide ranging survey of the latest findings and advances surrounding aromatic interactions, stretching from the fundamentals to modern applications in synthesis, biology and materials chemistry. It also discusses computational, experimental and analytical approaches to understanding these interactions, including pi-pi, anion-pi, and cation-pi interactions. Aromatic Interactions: Frontiers in Knowledge and Application is a useful text for advanced students and researchers, and appeals to those working within the fields of supramolecular chemistry, computational chemistry and thermodynamics.
Download or read book Physical and Chemical Aspects of Organic Electronics written by Christof Wöll and published by John Wiley & Sons. This book was released on 2009-04-22 with total page 698 pages. Available in PDF, EPUB and Kindle. Book excerpt: Organic molecules are currently being investigated with regard to their application as active components in semiconductor devices. Whereas devices containing organic molecules for the generation of light - organic light emitting diodes (OLED) - have already reached the market (they e.g. display information on mobile phones), transistors where organic molecules are used to actively control currents and voltages are still in the development stage. In this book the principle problems related to using organic materials as semiconductors and to construct functioning devices will be addressed. A particular emphasis will be put on the difference between inorganic semiconductors such as Si, Ge and GaAs and organic semiconductors (OSC). The special properties of such soft matter require particular approaches for processing characterization and device implementation, which are quite different from the approach used for conventional semiconductors.
Download or read book The Chemistry of Metal Organic Frameworks written by Stefan Kaskel and published by John Wiley & Sons. This book was released on 2016-06-14 with total page 904 pages. Available in PDF, EPUB and Kindle. Book excerpt: Providing vital knowledge on the design and synthesis of specific metal-organic framework (MOF) classes as well as their properties, this ready reference summarizes the state of the art in chemistry. Divided into four parts, the first begins with a basic introduction to typical cluster units or coordination geometries and provides examples of recent and advanced MOF structures and applications typical for the respective class. Part II covers recent progress in linker chemistries, while special MOF classes and morphology design are described in Part III. The fourth part deals with advanced characterization techniques, such as NMR, in situ studies, and modelling. A final unique feature is the inclusion of data sheets of commercially available MOFs in the appendix, enabling experts and newcomers to the field to select the appropriate MOF for a desired application. A must-have reference for chemists, materials scientists, and engineers in academia and industry working in the field of catalysis, gas and water purification, energy storage, separation, and sensors.
Download or read book Introduction to Reticular Chemistry written by Omar M. Yaghi and published by John Wiley & Sons. This book was released on 2019-03-22 with total page 684 pages. Available in PDF, EPUB and Kindle. Book excerpt: A concise introduction to the chemistry and design principles behind important metal-organic frameworks and related porous materials Reticular chemistry has been applied to synthesize new classes of porous materials that are successfully used for myraid applications in areas such as gas separation, catalysis, energy, and electronics. Introduction to Reticular Chemistry gives an unique overview of the principles of the chemistry behind metal-organic frameworks (MOFs), covalent organic frameworks (COFs), and zeolitic imidazolate frameworks (ZIFs). Written by one of the pioneers in the field, this book covers all important aspects of reticular chemistry, including design and synthesis, properties and characterization, as well as current and future applications Designed to be an accessible resource, the book is written in an easy-to-understand style. It includes an extensive bibliography, and offers figures and videos of crystal structures that are available as an electronic supplement. Introduction to Reticular Chemistry: -Describes the underlying principles and design elements for the synthesis of important metal-organic frameworks (MOFs) and related materials -Discusses both real-life and future applications in various fields, such as clean energy and water adsorption -Offers all graphic material on a companion website -Provides first-hand knowledge by Omar Yaghi, one of the pioneers in the field, and his team. Aimed at graduate students in chemistry, structural chemists, inorganic chemists, organic chemists, catalytic chemists, and others, Introduction to Reticular Chemistry is a groundbreaking book that explores the chemistry principles and applications of MOFs, COFs, and ZIFs.
Download or read book Metal Organic Frameworks written by Leonard R. MacGillivray and published by John Wiley & Sons. This book was released on 2010-12-17 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal-organic frameworks represent a new class of materials that may solve the hydrogen storage problem associated with hydrogen-fueled vehicles. In this first definitive guide to metal-organic framework chemistry, author L. MacGillivray addresses state-of-art developments in this promising technology for alternative fuels. Providing professors, graduate and undergraduate students, structural chemists, physical chemists, and chemical engineers with a historical perspective, as well as the most up-to-date developments by leading experts, Metal-Organic Frameworks examines structure, symmetry, supramolecular chemistry, surface engineering, metal-organometallic frameworks, properties, and reactions.
Download or read book Giant Molecules written by A. I?U. Grosberg and published by World Scientific. This book was released on 2011 with total page 347 pages. Available in PDF, EPUB and Kindle. Book excerpt: ?? Giant molecules are important in our everyday life. But, as pointed out by the authors, they are also associated with a culture. What Bach did with the harpsichord, Kuhn and Flory did with polymers. We owe a lot of thanks to those who now make this music accessible ??Pierre-Gilles de GennesNobel Prize laureate in Physics(Foreword for the 1st Edition, March 1996)This book describes the basic facts, concepts and ideas of polymer physics in simple, yet scientifically accurate, terms. In both scientific and historic contexts, the book shows how the subject of polymers is fascinating, as it is behind most of the wonders of living cell machinery as well as most of the newly developed materials. No mathematics is used in the book beyond modest high school algebra and a bit of freshman calculus, yet very sophisticated concepts are introduced and explained, ranging from scaling and reptations to protein folding and evolution. The new edition includes an extended section on polymer preparation methods, discusses knots formed by molecular filaments, and presents new and updated materials on such contemporary topics as single molecule experiments with DNA or polymer properties of proteins and their roles in biological evolution.
Download or read book Molecular Conformation and Biological Interactions written by Sivaraj Ramaseshan and published by . This book was released on 1991 with total page 742 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Understanding Intermolecular Interactions in the Solid State written by Deepak Chopra and published by Royal Society of Chemistry. This book was released on 2018-09-04 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: Technological and computational advances in the past decade have meant a vast increase in the study of crystalline matter in both organic, inorganic and organometallic molecules. These studies revealed information about the conformation of molecules and their coordination geometry as well as the role of intermolecular interactions in molecular packing especially in the presence of different intermolecular interactions in solids. This resulting knowledge plays a significant role in the design of improved medicinal, mechanical, and electronic properties of single and multi-component solids in their crystalline state. Understanding Intermolecular Interactions in the Solid State explores the different techniques used to investigate the interactions, including hydrogen and halogen bonds, lone pair–pi, and pi–pi interactions, and their role in crystal formation. From experimental to computational approaches, the book covers the latest techniques in crystallography, ranging from high pressure and in situ crystallization to crystal structure prediction and charge density analysis. Thus this book provides a strong introductory platform to those new to this field and an overview for those already working in the area. A useful resource for higher level undergraduates, postgraduates and researchers across crystal engineering, crystallography, physical chemistry, solid-state chemistry, supramolecular chemistry and materials science.
