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Visualization Of Hydrogen Bond Dynamics
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Book Synopsis Visualization of Hydrogen-Bond Dynamics by : Takashi Kumagai
Download or read book Visualization of Hydrogen-Bond Dynamics written by Takashi Kumagai and published by Springer Science & Business Media. This book was released on 2012-09-02 with total page 139 pages. Available in PDF, EPUB and Kindle. Book excerpt: The hydrogen bond represents an important interaction between molecules, and the dynamics of hydrogen bonds in water create an ever-present question associated with the process of chemical and biological reactions. In spite of numerous studies, the process remains poorly understood at the microscopic level because hydrogen-bond dynamics, such as bond rearrangements and hydrogen/proton transfer reactions, are extremely difficult to probe. Those studies have been carried out by means of spectroscopic methods where the signal stems from the ensemble of a system and the hydrogen-bond dynamics were inferred indirectly. This book addresses the direct imaging of hydrogen-bond dynamics within water-based model systems assembled on a metal surface, using a scanning tunneling microscope (STM). The dynamics of individual hydrogen bonds in water clusters, hydroxyl clusters, and water-hydroxyl complexes are investigated in conjunction with density functional theory. In these model systems, quantum dynamics of hydrogen bonds, such as tunneling and zero-point nuclear motion, are observed in real space. Most notably, hydrogen atom relay reactions, which are frequently invoked across many fields of chemistry, are visualized and controlled by STM. This work presents a means of studying hydrogen-bond dynamics at the single-molecule level, providing an important contribution to wide fields beyond surface chemistry.
Book Synopsis Hydrogen Bond Networks by : Marie-Claire Bellisent-Funel
Download or read book Hydrogen Bond Networks written by Marie-Claire Bellisent-Funel and published by Springer. This book was released on 2014-03-14 with total page 558 pages. Available in PDF, EPUB and Kindle. Book excerpt: The almost universal presence of water in our everyday lives and the very `common' nature of its presence and properties possibly deflects attention from the fact that it has a number of very unusual characteristics which, furthermore, are found to be extremely sensitive to physical parameters, chemical environment and other influences. Hydrogen-bonding effects, too, are not restricted to water, so it is necessary to investigate other systems as well, in order to understand the characteristics in a wider context. Hydrogen Bond Networks reflects the diversity and relevance of water in subjects ranging from the fundamentals of condensed matter physics, through aspects of chemical reactivity to structure and function in biological systems.
Book Synopsis Ultrafast Hydrogen Bonding Dynamics and Proton Transfer Processes in the Condensed Phase by : Thomas Elsaesser
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.
Book Synopsis Visualization of General Relativistic Tensor Fields Via a Fiber Bundle Data Model by : Werner Benger
Download or read book Visualization of General Relativistic Tensor Fields Via a Fiber Bundle Data Model written by Werner Benger and published by . This book was released on 2005 with total page 213 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis The Nature of the Hydrogen Bond by : Gastone Gilli
Download or read book The Nature of the Hydrogen Bond written by Gastone Gilli and published by OUP Oxford. This book was released on 2009-06-25 with total page 330 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hydrogen bond (H-bond) effects are known: it makes sea water liquid, joins cellulose microfibrils in trees, shapes DNA into genes and polypeptide chains into wool, hair, muscles or enzymes. Its true nature is less known and we may still wonder why O-H...O bond energies range from less than 1 to more than 30 kcal/mol without apparent reason. This H-bond puzzle is re-examined here from its very beginning and presented as an inclusive compilation of experimental H-bond energies and geometries. New concepts emerge from this analysis: new classes of systematically strong H-bonds (CAHBs and RAHBs: charge- and resonance-assisted H-bonds); full H-bond classification in six classes (the six chemical leitmotifs); and assessment of the covalent nature of strong H-bonds. This leads to three distinct but inter-consistent models able to rationalize the H-bond and predict its strength, based on classical VB theory, matching of donor-acceptor acid-base parameters (PA or pKa), or shape of the H-bond proton-transfer pathway. Applications survey a number of systems where strong H-bonds play an important functional role, namely drug-receptor binding, enzymatic catalysis, ion-transport through cell membranes, crystal design and molecular mechanisms of functional materials.
Book Synopsis Pharmaceutical Biotechnology by : Adalberto Pessoa
Download or read book Pharmaceutical Biotechnology written by Adalberto Pessoa and published by CRC Press. This book was released on 2021-07-16 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: Pharmaceutical Biotechnology: A Focus on Industrial Application covers the development of new biopharmaceuticals as well as the improvement of those being produced. The main purpose is to provide background and concepts related to pharmaceutical biotechnology, together with an industrial perspective. This is a comprehensive text for undergraduates, graduates and academics in biochemistry, pharmacology and biopharmaceutics, as well as professionals working on the interdisciplinary field of pharmaceutical biotechnology. Written with educators in mind, this book provides teachers with background material to enhance their classes and offers students and other readers an easy-to-read text that examines the step-by-step stages of the development of new biopharmaceuticals. Features: Discusses specific points of great current relevance in relation to new processes as well as traditional processes Addresses the main unitary operations used in the biopharmaceutical industry such as upstream and downstream Includes chapters that allow a broad evaluation of the production process Dr. Adalberto Pessoa Jr. is Full Professor at the School of Pharmaceutical Sciences of the University of São Paulo and Visiting Senior Professor at King’s College London. He has experience in enzyme and fermentation technology and in the purification processes of biotechnological products such as liquid–liquid extraction, cross-flow filtration and chromatography of interest to the pharmaceutical and food industries. Dr. Michele Vitolo is Full Professor at the School of Pharmaceutical Sciences of the University of São Paulo. He has experience in enzyme technology, in immobilization techniques (aiming the reuse of the biocatalyst) and in the operation of membrane reactors for obtaining biotechnological products of interest to the pharmaceutical, chemical and food industries. Dr. Paul F. Long is Professor of Biotechnology at King's College London and Visiting International Research Professor at the University of São Paulo. He is a microbiologist by training and his research uses a combination of bioinformatics, laboratory and field studies to discover new medicines from nature, particularly from the marine environment.
Book Synopsis Hydrogen Bonding - New Insights by : Slawomir Grabowski
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.
Book Synopsis Neutron Protein Crystallography by : Nobuo Niimura
Download or read book Neutron Protein Crystallography written by Nobuo Niimura and published by Oxford University Press. This book was released on 2011-02-17 with total page 250 pages. Available in PDF, EPUB and Kindle. Book excerpt: One of the first books dedicated to the emerging field of neutron protein crystallography (NPC). It covers all of the practical aspects of NPC and demonstrates how NPC can explore protein features such as hydrogen bonds, protonation and deprotonation of amino acid residues, and hydration structures.
Book Synopsis Advanced Organic Chemistry of Nucleic Acids by : Zoe A. Shabarova
Download or read book Advanced Organic Chemistry of Nucleic Acids written by Zoe A. Shabarova and published by John Wiley & Sons. This book was released on 2008-07-11 with total page 603 pages. Available in PDF, EPUB and Kindle. Book excerpt: Sequencing, cloning, transcription - these are but a few key techniques behind the current breathtaking advances in molecular biology and biochemistry. As these methods continuosly diversify, biochemists need a sound chemical understanding to keep the pace. Chemists beginning working in the molecular biology lab need an introduction to this field from their point of view. This book serves both: it describes most of the known chemical reactions of nucleosides, nucleotides, and nucleic acids in sufficient detail to provide the desired background, and additionally, the fundamental relations between sequence, structure and functionality of nucleic acids are presented. The first edition of this book, which was published in Russian, has immediately become a recognized standard reference. This second, thoroughly revised and updated edition, now published in English, is likely to achieve a similar position in the international scientific community.
Book Synopsis Gulliver in the Country of Lilliput by : Ilya G. Shenderovich
Download or read book Gulliver in the Country of Lilliput written by Ilya G. Shenderovich and published by MDPI. This book was released on 2021-03-30 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt: Noncovalent interactions are the bridge between ideal gas abstraction and the real world. For a long time, they were covered by two terms: van der Waals interactions and hydrogen bonding. Both experimental and quantum chemical studies have contributed to our understanding of the nature of these interactions. In the last decade, great progress has been made in identifying, quantifying, and visualizing noncovalent interactions. New types of interactions have been classified—their energetic and spatial properties have been tabulated. In the past, most studies were limited to analyzing the single strongest interaction in the molecular system under consideration, which is responsible for the most important structural properties of the system. Despite this limitation, such an approach often results in satisfactory approximations of experimental data. However, this requires knowledge of the structure of the molecular system and the absence of other competing interactions. The current challenge is to go beyond this limitation. This Special Issue collects ideas on how to study the interplay of noncovalent interactions in complex molecular systems including the effects of cooperation and anti-cooperation, solvation, reaction field, steric hindrance, intermolecular dynamics, and other weak but numerous impacts on molecular conformation, chemical reactivity, and condensed matter structure.
Book Synopsis The Weak Hydrogen Bond by : Gautam R. Desiraju
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.
Book Synopsis Guide to Biomolecular Simulations by : Oren M. Becker
Download or read book Guide to Biomolecular Simulations written by Oren M. Becker and published by Springer Science & Business Media. This book was released on 2006-06-26 with total page 225 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular dynamics simulations have become instrumental in replacing our view of proteins as relatively rigid structures with the realization that they were dynamic systems, whose internal motions play a functional role. Over the years, such simulations have become a central part of biophysics. Applications of molecular dynamics in biophysics range over many areas. They are used in the structure determination of macromolecules with x-ray and NMR data, the modelling of unknown structures from their sequence, the study of enzyme mechanisms, the estimation of ligand-binding free energies, the evaluation of the role of conformational change in protein function, and drug design for targets of known structures. The widespread application of molecular dynamics and related methodologies suggests that it would be useful to have available an introductory self-contained course by which students with a relatively limited background in chemistry, biology and computer literacy, can learn the fundamentals of the field. This Guide to Biomolecular Simulations tries to fill this need. The Guide consists of six chapters which provide the fundamentals of the field and six chapters which introduce the reader to more specialized but important applications of the methodology.
Book Synopsis Hydrogen Bonding in Biological Structures by : George A. Jeffrey
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)
Book Synopsis High Resolution Imaging, Spectroscopy and Nuclear Quantum Effects of Interfacial Water by : Jing Guo
Download or read book High Resolution Imaging, Spectroscopy and Nuclear Quantum Effects of Interfacial Water written by Jing Guo and published by Springer. This book was released on 2018-07-16 with total page 128 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis presents a series of experimental techniques based on scanning probe microscopy, which make it possible access the degree of freedom of protons both in real and energy space. These novel techniques and methods allow direct visualization of the concerted quantum tunneling of protons within the hydrogen-bonded network and quantification of the quantum component of a single hydrogen bond at a water–solid interface for the first time. Furthermore, the thesis demonstrates that the anharmonic quantum fluctuations of hydrogen nuclei further weaken the weak hydrogen bonds and strengthen the strong ones. However, this trend was reversed when the hydrogen bond coupled to the local environment. These pioneering findings substantially advance our understanding of the quantum nature of H bonds at the molecular level.
Book Synopsis Ion and Molecule Transport in Membrane Systems by : Victor Nikonenko
Download or read book Ion and Molecule Transport in Membrane Systems written by Victor Nikonenko and published by MDPI. This book was released on 2021-08-10 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: Membranes play an enormous role in our life. Biological cell membranes control the fluxes of substances in and out of cells. Artificial membranes are widely used in numerous applications including “green” separation processes in chemistry, agroindustry, biology, medicine; they are used as well in energy generation from renewable sources. They largely mimic the structure and functions of biological membranes. The similarity in the structure leads to the similarity in the properties and the approaches to study the laws governing the behavior of both biological and artificial membranes. In this book, some physico-chemical and chemico-physical aspects of the structure and behavior of biological and artificial membranes are investigated.
Book Synopsis Soft Matter Systems for Biomedical Applications by : Leonid Bulavin
Download or read book Soft Matter Systems for Biomedical Applications written by Leonid Bulavin and published by Springer Nature. This book was released on 2021-09-27 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book addresses new challenges in soft matter and colloids. It presents timely reports on colloidal self-assembly, soft matters from liquid crystals, nanoparticles in liquid crystals, hydrocolloids, hybrid nanosystems, nanosuspensions, and dispersion of nanoparticles in different media, soft matter processing and modern experiments related with soft matters.
Book Synopsis Nuclear Magnetic Resonance of Biological Macromolecules, Part A by :
Download or read book Nuclear Magnetic Resonance of Biological Macromolecules, Part A written by and published by Elsevier. This book was released on 2001-07-12 with total page 513 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume and its companion, Volume 339, supplement Volumes 176, 177, 239, and 261. Chapters are written with a "hands-on" perspective. That is, practical applications with critical evaluations of methodologies and experimental considerations needed to design, execute, and interpret NMR experiments pertinent to biological molecules.
