Download or read book Hydrogen Bonding New Insights written by Slawomir Grabowski and published by Springer Science & Business Media. This book was released on 2006-10-07 with total page 536 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book uses examples from experimental studies to illustrate theoretical investigations, allowing greater understanding of hydrogen bonding phenomena. The most important topics in recent studies are covered. This volume is an invaluable resource that will be of particular interest to physical and theoretical chemists, spectroscopists, crystallographers and those involved with chemical physics.
Download or read book Hydrogen Bonding and Transfer in the Excited State written by Ke-Li Han and published by John Wiley & Sons. This book was released on 2011-03-16 with total page 1229 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book gives an extensive description of the state-of-the-art in research on excited-state hydrogen bonding and hydrogen transfer in recent years. Initial chapters present both the experimental and theoretical investigations on the excited-state hydrogen bonding structures and dynamics of many organic and biological chromophores. Following this, several chapters describe the influences of the excited-state hydrogen bonding on various photophysical processes and photochemical reactions, for example: hydrogen bonding effects on fluorescence emission behaviors and photoisomerization; the role of hydrogen bonding in photosynthetic water splitting; photoinduced electron transfer and solvation dynamics in room temperature ionic liquids; and hydrogen bonding barrier crossing dynamics at bio-mimicking surfaces. Finally, the book examines experimental and theoretical studies on the nature and control of excited-state hydrogen transfer in various systems. Hydrogen Bonding and Transfer in the Excited State is an essential overview of this increasingly important field of study, surveying the entire field over 2 volumes, 40 chapters and 1200 pages. It will find a place on the bookshelves of researchers in photochemistry, photobiology, photophysics, physical chemistry and chemical physics.
Download or read book Hydrogen Bonding in Organic Synthesis written by Petri M. Pihko and published by John Wiley & Sons. This book was released on 2009-09-09 with total page 395 pages. Available in PDF, EPUB and Kindle. Book excerpt: This first comprehensive overview of the rapidly growing field emphasizes the use of hydrogen bonding as a tool for organic synthesis, especially catalysis. As such, it covers such topics as enzyme chemistry, organocatalysis and total synthesis, all unified by the unique advantages of hydrogen bonding in the construction of complex molecules from simple precursors. Providing everything you need to know, this is a definite must for every synthetic chemist in academia and industry.
Download or read book Drug Bioavailability written by Han van de Waterbeemd and published by John Wiley & Sons. This book was released on 2006-03-06 with total page 602 pages. Available in PDF, EPUB and Kindle. Book excerpt: The peroral application (swallowing) of a medicine means that the body must first resorb the active substance before it can begin to take effect. The efficacy of drug uptake depends on the one hand on the chemical characteristics of the active substance, above all on its solubility and membrane permeability. On the other hand, it is determined by the organism's ability to absorb pharmaceuticals by way of specific transport proteins or to excrete them. Since many pharmacologically active substances are poorly suited for oral intake, a decisive criterion for the efficacy of a medicine is its so-called bioavailability. Written by an international team from academia and the pharmaceutical industry, this book covers all aspects of the oral bioavailability of medicines. The focus is placed on methods for determining the parameters relevant to bioavailability. These range from modern physicochemical techniques via biological studies in vitro and in vivo right up to computer-aided predictions. The authors specifically address possibilities for optimizing bioavailability during the early screening stage for the active substance. Its clear structure and comprehensive coverage make this book equally suitable for researchers and lecturers in industry and teaching.
Download or read book Hydrogen Bond Research written by Peter Schuster and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 120 pages. Available in PDF, EPUB and Kindle. Book excerpt: Seven review articles and original papers provide a representative overview of the research work done in hydrogen bond research at Austrian universities. The topics covered by the contributions are: state-of-the-art of understanding hydrogen bonding in biopolymers; recent NMR techniques for studying hydrogen bonding in aqueous solutions; intramolecular hydrogen bonding and proton transfer in a class of Mannich bases derived from substituted phenols and naphthols; competition between intramolecular hydrogen bonds in ortho-disubstituted phenols; molecular dynamic simulations on proton transfer in 5,8-dihydroxynaphthoquinone and in the formic acid dimer; accurate calculations of the intermolecular interactions in cyanoacetylen dimers; correlation between OH...O bond distances and OH stretching frequencies as derived from structural and spectroscopic data of minerals.
Download or read book Hydrogen Bonding in Biological Structures written by George A. Jeffrey and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 575 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hydrogen bonds are weak attractions, with a binding strength less than one-tenth that of a normal covalent bond. However, hydrogen bonds are of extraordinary importance; without them all wooden structures would collapse, cement would crumble, oceans would vaporize, and all living things would disintegrate into random dispersions of inert matter. Hydrogen Bonding in Biological Structures is informative and eminently usable. It is, in a sense, a Rosetta stone that unlocks a wealth of information from the language of crystallography and makes it accessible to all scientists. (From a book review of Kenneth M. Harmon, Science 1992)
Download or read book Medicinal Chemistry for Practitioners written by Jie Jack Li and published by John Wiley & Sons. This book was released on 2020-06-29 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presenting both a panoramic introduction to the essential disciplines of drug discovery for novice medicinal chemists as well as a useful reference for veteran drug hunters, this book summarizes the state-of-the-art of medicinal chemistry. It covers key drug targets including enzymes, receptors, and ion channels, and hit and lead discovery. The book hen surveys a drug's pharmacokinetics and toxicity, with a solid chapter covering fundamental bioisosteres as a guide to structure-activity relationship investigations.
Download or read book The Weak Hydrogen Bond written by Gautam R. Desiraju and published by International Union of Crystal. This book was released on 2001 with total page 530 pages. Available in PDF, EPUB and Kindle. Book excerpt: The weak or non-conventional hydrogen bond has been subject of intense scrutiny over recent years in several fields, in particular in structural chemistry, structural biology, and also in the pharmaceutical sciences. There is today a large body of experimental and theoretical evidenceconfirming that hydrogen bonds like C-H...O, N-H...pi, C-H...pi and even bonds like O-H...metal play distinctive roles in molecular recognition, guiding molecular association, and in determining molecular and supramolecular architectures. The relevant compound classes include organometalliccomplexes, organic and bio-organic systems, and also DNA and proteins. The book provides a comprehensive assessment of this interaction type, and is of interest to all those interested in structural and supramolecular science, including fields as crystal engineering and drug design.
Download or read book Single Crystal Neutron Diffraction from Molecular Materials written by Chick C. Wilson and published by World Scientific. This book was released on 2000 with total page 390 pages. Available in PDF, EPUB and Kindle. Book excerpt: This important book presents a comprehensive account of the techniques & applications of single crystal neutron diffraction in the area of chemical crystallography & molecular structure. Beginning with a brief description of the general principles & the reasons for choosing the technique - the "why" - the book covers the methods for both the production of neutrons & the measurement of their scattering by molecular crystals - the "how" - followed by a detailed survey of past, present & future applications - the "what". The coverage of both steady state & pulsed neutron sources & instrumentation is extensive, while the survey of applications is the most comprehensive yet undertaken. The book endeavours to show why the technique is an essential method for studying areas as diverse as hydrogen bonding & weak interactions, organometallics, supramolecular chemistry & crystal engineering, metal hydrides, charge density & pharmaceuticals. It is an ideal reference source for the research worker interested in using neutron diffraction to study the structure of molecules. Contents: Crystallography & the Importance of Structural Information; Neutron Scattering; Neutron Diffractometers; Review of Applications I: The Accurate Location of Atoms; Review of Applications II: Hydrogen Bonding & Other Intermolecular Interactions; Review of Applications III: Probing Vibrations & Disorder; Impact on Material Properties & Design; The Future: New Instruments, New Sources, New Techniques. Readership: Students & researchers involved in structural science, especially chemical crystallography.
Download or read book Intramolecular Hydrogen Bonding 2021 written by Miroslaw Jablo ́ Nski and published by Mdpi AG. This book was released on 2021-12-03 with total page 246 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes the results of both theoretical and experimental research on many topical issues in intramolecular hydrogen bonding. Its great advantage is that the presented research results have been obtained using many different techniques. Therefore, it is an excellent review of these methods, while showing their applicability to the current scientific issues regarding intramolecular hydrogen bonds. The experimental techniques used include X-ray diffraction, infrared and Raman spectroscopy (IR), nuclear magnetic resonance spectroscopy (NMR), nuclear quadrupole resonance spectroscopy (NQR), incoherent inelastic neutron scattering (IINS), and differential scanning calorimetry (DSC). The solvatochromic and luminescent studies are also described. On the other hand, theoretical research is based on ab initio calculations and the Car-Parrinello Molecular Dynamics (CPMD). In the latter case, a description of nuclear quantum effects (NQE) is also possible. This book also demonstrates the use of theoretical methods such as Quantum Theory of Atoms in Molecules (QTAIM), Interacting Quantum Atoms (IQA), Natural Bond Orbital (NBO), Non-Covalent Interactions (NCI) index, Molecular Tailoring Approach (MTA), and many others.
Download or read book Hydrogen bonding Research In Photochemistry Photobiology And Optoelectronic Materials written by Han Keli and published by World Scientific. This book was released on 2019-03-13 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt: As one of the typical intermolecular interactions, hydrogen-bonding plays a significant role in molecular structure and function. When the hydrogen bond research system is connected with the photon, the hydrogen-bonding effect turns to an excited-state one influencing photochemistry, photobiology, and photophysics. Thus, the hydrogen bond in an excited state is a key topic for understanding the excited-state properties, especially for optoelectronic or luminescent materials.The approaches presented in this book include quantum chemical calculation, molecular dynamics simulation and ultrafast spectroscopy, which are strong tools to investigate the hydrogen bond. Unlike other existing titles, this book combines theoretical calculations and experiments to explore the nature of excited-state hydrogen bonds. By using these methods, more details and faster processes involved in excited-state dynamics of hydrogen bond are explored.This highly interdisciplinary book provides an overview of leading hydrogen bond research. It is essential reading for faculties and students in researching photochemistry, photobiology and photophysics, as well as novel optoelectronic materials, fluorescence probes and photocatalysts. It will also guide research beginners to getting a quick start within this field.
Download or read book Medicinal Chemistry and Pharmacological Potential of Fullerenes and Carbon Nanotubes written by Franco Cataldo and published by Springer Science & Business Media. This book was released on 2008-09-08 with total page 411 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fullerenes and nanotubes are two classes of carbon structures or allotropes, which were discovered about 17 years ago. Since that time, many chemical derivatives have been synthesized using fullerenes and nanotubes as building blocks. Particularly promising was the theory that the chemical properties of fullerenes, and certain derivatives, made them likely candidates for anticancer drugs, inhibitors of viruses such as HIV, or even as anti-bacterials. Their cyctotoxicity can also be controlled by specific circumstances. In addition, the funtionalization of nanotubes has not only produced relatively simple derivatives, but also complex hybrids with biological macromolecules, which show unique supramolecular architecture and which are promising in many medical applications. The application of fullerenes and nanotubes in medicine is at the frontier of our knowledge, thus the work in this field represents the basis for future novel developments.
Download or read book A Study of Intramolecular Hydrogen Bonding written by Joseph Paul Carpenter and published by . This book was released on 1988 with total page 18 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Hydrogen bonding abilities of hydroxamic acid and its isosteres written by Ruchi Kohli and published by Anchor Academic Publishing. This book was released on 2016-01-26 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: This study comprises seven chapters. In chapter 1 an overview of chemistry, biological functions and literature studies of hydroxamic acids (HA) and its isosteres is presented. The principles of quantum mechanics underlying the computational methods employed to study HAs are given in brief. Chapter 2 describes intra- and intermolecular H-bonding interactions between formohydoxamic acid (FHA) and single water molecule and the dimerization among the isomeric forms. Chapter 3 involves the comparative study of H-bonding abilities of thioformohydoxamic acid (TFHA) and FHA. The deprotonation enthalpies of different sites of FHA and TFHA, probable pathways for interconversion among anions and their H-bonding with water are explored in chapter 4. The Effect of aqueous medium on deprotonation by using solvation methods is also discussed. Further insight into H-bonded aggregates and dimers of HAs is gained through the analysis of calculated stabilization energies and their comparison to similar H-bonded functionalities. The reasons behind the H-bond cooperativity in the aggregates and dimers are explored in chapter 5. Chapter 6 deals with the study of properties of formylphosphinous acid (FPA) isostere of FHA and a comparative study is carried out. In chapter 7, the aggregation of the most stable keto and enol conformer of FHA and TFHA with five amino acid side chain groups occurring at active sites of enzymes is studied.
Download or read book Understanding Hydrogen Bonds written by Sławomir J Grabowski and published by Royal Society of Chemistry. This book was released on 2020-11-13 with total page 487 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hydrogen bonded systems play an important role in all aspects of science but particularly chemistry and biology. Notably, the helical structure of DNA is heavily reliant on the hydrogens bonds between the DNA base pairs. Although the area of hydrogen bonding is one that is well established, our understanding has continued to develop as the power of both computational and experimental techniques has improved. Understanding Hydrogen Bonds presents an up-to-date overview of our theoretical and experimental understanding of the hydrogen bond. Well-established and novel approaches are discussed, including quantum theory of ‘atoms in molecules’ (QTAIM); the electron localization function (ELF) method and Car–Parinnello molecular dynamics; the natural bond orbital (NBO) approach; and X-ray and neutron diffraction and spectroscopy. The mechanism of hydrogen bond formation is described and comparisons are made between hydrogen bonds and other types of interaction. The author also takes a look at new types of interaction that may be classified as hydrogen bonds with a focus on those with multicentre proton acceptors or with multicentre proton donors. Understanding Hydrogen Bonds is a valuable reference for experimentalists and theoreticians interested in updating their understanding of the types of hydrogen bonds, their role in chemistry and biology, and how they can be studied.
Download or read book Ultrafast Hydrogen Bonding Dynamics and Proton Transfer Processes in the Condensed Phase written by Thomas Elsaesser and published by Springer Science & Business Media. This book was released on 2013-03-14 with total page 193 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hydrogen bonds represent type of molecular interaction that determines the structure and function of a large variety of molecular systems. The elementary dynamics of hydrogen bonds and related proton transfer reactions, both occurring in the ultra fast time domain between 10-14 and 10-11s, form a research topic of high current interest. In this book addressing scientists and graduate students in physics, chemistry and biology, the ultra fast dynamics of hydrogen bonds and proton transfer in the condensed phase are reviewed by leading scientists, documenting the state of the art in this exciting field from the viewpoint of theory and experiment. The nonequilibrium behavior of hydrogen-bonded liquids and intramolecular hydrogen bonds as well as photo induced hydrogen and proton transfer are covered in 7 chapters, making reference to the most recent literature.
Download or read book Conformation directing Effects of Intramolecular Hydrogen Bond Formation written by Elizabeth A. Gallo and published by . This book was released on 1993 with total page 430 pages. Available in PDF, EPUB and Kindle. Book excerpt:
