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Modeling Of Cation Binding In Hydrated 2
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Book Synopsis Spectroscopy and Modeling of Biomolecular Building Blocks by : Jean-Pierre Schermann
Download or read book Spectroscopy and Modeling of Biomolecular Building Blocks written by Jean-Pierre Schermann and published by Elsevier. This book was released on 2007-10-16 with total page 499 pages. Available in PDF, EPUB and Kindle. Book excerpt: Spectroscopy and Modeling of Biomolecular Building Blocks presents an overview of recent advances in the intertwining of the following research fields: photon and electron spectroscopy, quantum chemistry, modelling and mass-spectrometry. The coupling of these disciplines offers a new point of view to the understanding of isolated elementary building blocks of biomolecules and their assemblies. It allows the unambiguous separation between intrinsic properties of biomolecular systems and those induced by the presence of their environment. The first chapters provide background in modelling (I), frequency-resolved spectroscopy using microwave, infrared and UV photons, time-resolved spectroscopy in the femtosecond domain and energy-resolved electron spectroscopy (II) and production of gas-phase neutral and ionic biomolecular species, mass-spectrometry, ion mobility and BIRD techniques (III). Chapter IV is devoted to case studies of gas-phase experimental investigations coupled to quantum or classical calculations. The topics are structural studies of nucleobases and oligonucleotides, peptides and proteins, sugars; neuromolecules; non-covalent complexes; chiral systems, interactions of low-energy electrons with biomolecules in the radiation chemistry context and very large gas-phase biomolecular systems. The fifth chapter concerns the link between gas-phase and liquid-phase. Different treatments of solvation are illustrated through examples pointing out the influence of progressive addition of water molecules upon properties of nucleobases, peptides, sugars and neuromolecules. - Offer a new perspective to the understanding of isolated elementary building blocks of bio molecules - Includes case studies of experimental investigations coupled to quantum or classical calculations
Book Synopsis Molecular Modeling of Geochemical Reactions by : James D. Kubicki
Download or read book Molecular Modeling of Geochemical Reactions written by James D. Kubicki and published by John Wiley & Sons. This book was released on 2016-07-22 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular processes in nature affect human health, the availability of resources and the Earth’s climate. Molecular modelling is a powerful and versatile toolbox that complements experimental data and provides insights where direct observation is not currently possible. Molecular Modeling of Geochemical Reactions: An Introduction applies computational chemistry to geochemical problems. Chapters focus on geochemical applications in aqueous, petroleum, organic, environmental, bio- and isotope geochemistry, covering the fundamental theory, practical guidance on applying techniques, and extensive literature reviews in numerous geochemical sub-disciplines. Topics covered include: • Theory and Methods of Computational Chemistry • Force Field Application and Development • Computational Spectroscopy • Thermodynamics • Structure Determination • Geochemical Kinetics This book will be of interest to graduate students and researchers looking to understand geochemical processes on a molecular level. Novice practitioners of molecular modelling, experienced computational chemists, and experimentalists seeking to understand this field will all find information and knowledge of use in their research.
Book Synopsis Innovations in Biomolecular Modeling and Simulations by : Tamar Schlick
Download or read book Innovations in Biomolecular Modeling and Simulations written by Tamar Schlick and published by Royal Society of Chemistry. This book was released on 2012-05-24 with total page 355 pages. Available in PDF, EPUB and Kindle. Book excerpt: The chemical and biological sciences face unprecedented opportunities in the 21st century. A confluence of factors from parallel universes - advances in experimental techniques in biomolecular structure determination, progress in theoretical modeling and simulation for large biological systems, and breakthroughs in computer technology - has opened new avenues of opportunity as never before. Now, experimental data can be interpreted and further analysed by modeling, and predictions from any approach can be tested and advanced through companion methodologies and technologies. This two volume set describes innovations in biomolecular modeling and simulation, in both the algorithmic and application fronts. With contributions from experts in the field, the books describe progress and innovation in areas including: simulation algorithms for dynamics and enhanced configurational sampling, force field development, implicit solvation models, coarse-grained models, quantum-mechanical simulations, protein folding, DNA polymerase mechanisms, nucleic acid complexes and simulations, RNA structure analysis and design and other important topics in structural biology modeling. The books are aimed at graduate students and experts in structural biology and chemistry and the emphasis is on reporting innovative new approaches rather than providing comprehensive reviews on each subject.
Book Synopsis Handbook of Computational Chemistry by : Jerzy Leszczynski
Download or read book Handbook of Computational Chemistry written by Jerzy Leszczynski and published by Springer Science & Business Media. This book was released on 2012-01-14 with total page 1451 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook is a guide to current methods of computational chemistry, explaining their limitations and advantages and providing examples of their applications. The first part outlines methods, the balance of volumes present numerous important applications.
Book Synopsis Cation Binding by Humic Substances by : Edward Tipping
Download or read book Cation Binding by Humic Substances written by Edward Tipping and published by Cambridge University Press. This book was released on 2002-05-30 with total page 446 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first comprehensive account of these important environmental interactions, this book describes the binding reactions, how they can be mathematically modelled, and how this knowledge is used to interpret environmental phenomena in soils, waters and sediments. A valuable resource for advanced undergraduate and graduate students, environmental scientists, ecologists and geochemists.
Book Synopsis Cell and Model Membrane Interactions by : S. Ohki
Download or read book Cell and Model Membrane Interactions written by S. Ohki and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 287 pages. Available in PDF, EPUB and Kindle. Book excerpt: Membrane interaction is a large research area involving various disciplines. A symposium entitled "Cell and Model Membrane Interactions" which took place in Boston, MA during the 155th American Chemical Society Meeting, April 25, 1990, focused on membrane adhesion and fusion. The topics were explored in studies involving lipids, virus envelopes and cell membranes. Especially discussed, were the roles of polymers, lipids, and proteins on these membrane interactions. Fusion of membrane is an important molecular event which plays a pivotal role in many dynamic cellular processes, such as exocytosis, endocytosis, membrane genesis, viral infection processes, etc. The process includes adhesion of the mem branes, fusion, and finally reorganization of the components of the two membranes. The basic notion shared during the symposium was that membrane hydro phobicity, especially local membrane hydrophobicity is one of the important factors contributing to membrane fusion. Most of the papers are collected here and they are arranged approximately in the same order as they were presented at the sympo sium. These papers are the most up-to-date and representative work at the forefront in each membrane interaction field. I sincerely hope the reader will gain further understanding on membrane interactions especially, membrane and vesicle fusion phenomena through this symposium proceedings volume.
Book Synopsis Environmental Geochemistry by : Benedetto DeVivo
Download or read book Environmental Geochemistry written by Benedetto DeVivo and published by Elsevier. This book was released on 2017-09-18 with total page 646 pages. Available in PDF, EPUB and Kindle. Book excerpt: Environmental Geochemistry: Site Characterization, Data Analysis and Case Histories, Second Edition, reviews the role of geochemistry in the environment and details state-of-the-art applications of these principles in the field, specifically in pollution and remediation situations. Chapters cover both philosophy and procedures, as well as applications, in an array of issues in environmental geochemistry including health problems related to environment pollution, waste disposal and data base management. This updated edition also includes illustrations of specific case histories of site characterization and remediation of brownfield sites. - Covers numerous global case studies allowing readers to see principles in action - Explores the environmental impacts on soils, water and air in terms of both inorganic and organic geochemistry - Written by a well-respected author team, with over 100 years of experience combined - Includes updated content on: urban geochemical mapping, chemical speciation, characterizing a brownsfield site and the relationship between heavy metal distributions and cancer mortality
Book Synopsis Molecular Modeling and Simulation by : Tamar Schlick
Download or read book Molecular Modeling and Simulation written by Tamar Schlick and published by Springer Science & Business Media. This book was released on 2013-04-18 with total page 669 pages. Available in PDF, EPUB and Kindle. Book excerpt: Very broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text
Book Synopsis Environmental Geochemistry by : Benedetto De Vivo
Download or read book Environmental Geochemistry written by Benedetto De Vivo and published by Elsevier. This book was released on 2024-02-27 with total page 828 pages. Available in PDF, EPUB and Kindle. Book excerpt: Environmental Geochemistry: Site Characterization, Data Analysis, Case Histories, and Associated Health Issues provides a wealth of information on modern geochemical methods, techniques, and procedures for those studying toxic substances found in soil, air, and water. This new edition takes an especially close look at environmental pollution and its impact on human health. The first third of the book looks at a variety of methods and procedures, such as taking groundwater samples, biological monitoring, geochemical mapping, and models of geochemical speciation. This is followed by a close look at different pollutants, including lead and pesticides. The authors conclude with several detailed case histories examining health issues resulting from environmental pollution. Environmental researchers and practitioners will return to this book again and again in their work towards understanding and reducing the environmental pollutants that affect our health. - Provides an in-depth examinations of the latest geochemical techniques and procedures - Presents a detailed analysis of various applied studies in pollution and contamination - Includes new case histories that highlight environmental pollution and related health issues
Book Synopsis Two-Dimensional-Materials-Based Membranes by : Gongping Liu
Download or read book Two-Dimensional-Materials-Based Membranes written by Gongping Liu and published by John Wiley & Sons. This book was released on 2022-08-08 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: Two-Dimensional-Materials-Based Membranes An authoritative and up to date discussion of two-dimensional materials and membranes In Two-Dimensional-Materials-Based Membranes: Preparation, Characterization, and Applications, a team of distinguished chemical engineers delivers a comprehensive exploration of the latest advances in design principles, synthesis approaches, and applications of two-dimensional (2D) materials—like graphene, metal-organic frameworks (MOFs), 2D layered double hydroxides, and MXene—and highlights the significance and development of these membranes. In the book, the authors discuss the use of membranes to achieve high-efficiency separation and to address the challenges posed in the field. The book also discusses potential challenges and benefits in the future development of advanced 2D nanostructures, as well as their impending implementation in applications in the fields of energy, sustainability, catalysis, electronics, and biotechnology. Readers will also find: A thorough introduction to fabrication methods for 2D-materials-based membranes, including the synthesis of nanosheets, membrane structures, and fabrication methods Descriptions of three types of 2D-materials-based membranes: single-layer membranes, laminar membranes and mixed-matrix membranes Comprehensive discussions of 2D-materials-based membranes for water and ions separation, solvent-water separation and gas separation Explorations of transport mechanism of 2D-materials-based membranes for molecular separations Perfect for membrane scientists, inorganic chemists, and materials scientists, Two-Dimensional-Materials-Based Membranes will also earn a place in the libraries of chemical and process engineers in industrial environments.
Download or read book Humic Substances written by G. Davies and published by Garland Science. This book was released on 2003-11-28 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt: Humic substances are ubiquitous in the environment. These remarkable brown biomaterials are found in animals, plants, coals, sediments, soils and water. They are crucial components of the carbon cycle and other life processes. Humic Substances: Nature's Most Versatile Materials contains a compilation of papers presented at the 2002 Humic Substances Seminar and will keep humic substances scientists up to date with the latest research.
Book Synopsis Bioelectrochemistry: General Introduction by : D. Walz
Download or read book Bioelectrochemistry: General Introduction written by D. Walz and published by Birkhäuser. This book was released on 2012-12-06 with total page 379 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 1 of this Series is intended to give the reader a fundamental understanding of the key areas deemed essential to the study of bioelec trochemistry. A thorough grasp of the theory and methodology of these basic topics is vital to cope successfully with the complex phenomena that currently face investigators in most bioelectrochemical laboratories. Chapter 1 outlines the nonequilibrium thermodynamics and kinetics of the processes involved, stressing the connection between the two ap proaches. Particular emphasis is placed on the enzymes catalyzing cytosolic reactions and membrane transport. The techniques discussed are sufficient for the study of systems in the steady state, but systems that are evolving towards the steady state, or show some other time-depen dent behavior, require in addition the techniques of mathematical modelling. These are dealt with in some detail in Chapter 2, where network representation of the system is treated at length as the method of choice in carrying out appropriate simulations. In Chapter 3 attention is directed to the twin problems of water structure and ionic hydration.
Book Synopsis Handbook of Layered Materials by : Scott M. Auerbach
Download or read book Handbook of Layered Materials written by Scott M. Auerbach and published by CRC Press. This book was released on 2004-03-23 with total page 527 pages. Available in PDF, EPUB and Kindle. Book excerpt: Focusing on layered compounds at the core of materials intercalation chemistry, this reference comprehensively explores clays and other classes of materials exhibiting the ability to pillar, or establish permanent intracrystalline porosity within layers. It offers an authoritative presentation of their fundamental properties as well as summaries of
Book Synopsis Membrane Proteins: Structures, Interactions and Models by : A. Pullman
Download or read book Membrane Proteins: Structures, Interactions and Models written by A. Pullman and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: The 25th Jerusalem Symposium represents a most significant highlight in the development and history of these meetings. Living within the decimal system we have celebrated with much pleasure the lath and the 20th Jerusalem Symposia. With this one we experience a feeling of particular satisfaction because 25 years is different from, is more than, two decades and a half. It is a quarter of a century. It seems thus as if we have changed the dimension of our endeavour. In no way do we loose the sense of modesty with respect to the significance of these meetings. For the organizers, however, they do represent a continuity of efforts which we feel happy to have been able to carry out. At this occasion it seems useful to say a few words about the origin of the Jerusalem Symposia and to recall the name of a colleague who played an essential role in their creation and has been a most efficient and devoted co organizer of the seven first of them. This was Professor Ernst Bergmann, one of the most distinguished founders of Israeli Science and a world famous physico-organic chemist.
Book Synopsis The Aqueous Chemistry of Oxides by : Bruce C. Bunker
Download or read book The Aqueous Chemistry of Oxides written by Bruce C. Bunker and published by Oxford University Press. This book was released on 2016-02-02 with total page 645 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Aqueous Chemistry of Oxides is a single-volume text that encapsulates all of the critical issues associated with how oxide materials interact with aqueous solutions. It serves as a central reference for academics working with oxides in the contexts of geology, various types of inorganic chemistry, and materials science. The text also has utility for professionals working with industrial applications in which oxides are either prepared or must perform in aqueous environments. The volume is organized into five key sections. Part One features two introductory chapters, intended to introduce the mutual interests of engineers, chemists, geologists, and industrial scientists in the physical and chemical properties of oxide materials. Part Two provides the essential and fundamental principles that are critical to understanding most of the major reactions between water and oxides. Part Three deals with the synthesis of oxide materials in aqueous media. Part Four deals with oxide-water reactions and their environmental and technological impacts, and Part Five is devoted to other types of relevant reactions. The Aqueous Chemistry of Oxides is the first book that provides a comprehensive summary of all of the critical reactions between oxides and water in a single volume. As such, it ties together a wide range of existing books and literature into a central location that provides a key reference for understanding and accessing a broad range of more specialized topics. The book contain over 300 figures and tables.
Book Synopsis Liposomes, Lipid Bilayers and Model Membranes by : Georg Pabst
Download or read book Liposomes, Lipid Bilayers and Model Membranes written by Georg Pabst and published by CRC Press. This book was released on 2014-03-04 with total page 482 pages. Available in PDF, EPUB and Kindle. Book excerpt: As a result of their unique physical properties, biological membrane mimetics, such as liposomes, are used in a broad range of scientific and technological applications. Liposomes, Lipid Bilayers and Model Membranes: From Basic Research to Application describes state-of-the-art research and future directions in the field of membranes, which has evolved from basic studies of the physicochemical properties of amphiphiles to their application in industry and medicine. Written by leading researchers in their fields, this book describes basic and applied research, and serves as a useful reference for both the novice and the expert. Part one covers a range of basic research topics, from theory and computational simulations to some of the most up-to-date experimental research. Topics discussed include soft matter physics of membranes, nonlamellar phases, extraction of molecules by amphiphiles, lipid models for membrane rafts, membrane dynamics, nanodiscs, microemulsions, active membranes, as well as interactions of bilayers with drugs or DNA to treat disease or for gene transfer, respectively. Part two of the book focuses on technological applications of amphiphiles, such as liposome-based nanoparticles for drug delivery, formulation of liposomes for prolonged in vivo circulation and functionalization for medical purposes, novel drug delivery systems for increased drug loading, and the use of tethered membranes for bio-sensing applications. Chapters also describe the use of liposomes in textile dyeing and how lipidic nanoparticles are used by the food industry.
Download or read book Cumulated Index Medicus written by and published by . This book was released on 1999 with total page 1860 pages. Available in PDF, EPUB and Kindle. Book excerpt:
