Download or read book Solvation Effects on Molecules and Biomolecules written by Sylvio Canuto and published by Springer Science & Business Media. This book was released on 2010-07-03 with total page 536 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume is an interdisciplinary treatise on the theoretical approach to solvation problems. It describes the essential details of the theoretical methods and places them into the context of modern applications, and hence is of broad interest to theoreticians and experimentalists. The assembly of these modern methods and applications into one volume is a unique contribution to date and gives a broad and ample description of the field in its present stage of development.
Download or read book Molecular Theory of Solvation written by F. Hirata and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 366 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Theory of Solvation presents the recent progress in the statistical mechanics of molecular liquids applied to the most intriguing problems in chemistry today, including chemical reactions, conformational stability of biomolecules, ion hydration, and electrode-solution interface. The continuum model of "solvation" has played a dominant role in describing chemical processes in solution during the last century. This book discards and replaces it completely with molecular theory taking proper account of chemical specificity of solvent. The main machinery employed here is the reference-interaction-site-model (RISM) theory, which is combined with other tools in theoretical chemistry and physics: the ab initio and density functional theories in quantum chemistry, the generalized Langevin theory, and the molecular simulation techniques. This book will be of benefit to graduate students and industrial scientists who are struggling to find a better way of accounting and/or predicting "solvation" properties.
Download or read book Comparative Effects of Solvation and Pressure on Liquids and Biological Molecules written by and published by . This book was released on 2003 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Solvent Effects and Chemical Reactivity written by Orlando Tapia and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 383 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book gathers original contributions from a selected group of distinguished researchers that are actively working in the theory and practical applications of solvent effects and chemical reactions. The importance of getting a good understanding of surrounding media effects on chemical reacting system is difficult to overestimate. Applications go from condensed phase chemistry, biochemical reactions in vitro to biological systems in vivo. Catalysis is a phenomenon produced by a particular system interacting with the reacting subsystem. The result may be an increment of the chemical rate or sometimes a decreased one. At the bottom, catalytic sources can be characterized as a special kind of surrounding medium effect. The materials involving in catalysis may range from inorganic components as in zeolites, homogenous components, enzymes, catalytic antibodies, and ceramic materials. . With the enormous progress achieved by computing technology, an increasing number of models and phenomenological approaches are being used to describe the effects of a given surrounding medium on the electronic properties of selected subsystem. A number of quantum chemical methods and programs, currently applied to calculate in vacuum systems, have been supplemented with a variety of model representations. With the increasing number of methodologies applied to this important field, it is becoming more and more difficult for non-specialist to cope with theoretical developments and extended applications. For this and other reasons, it is was deemed timely to produce a book where methodology and applications were analyzed and reviewed by leading experts in the field.
Download or read book The Chemical Physics of Solvation written by Revaz R. Dogonadze and published by Elsevier Science & Technology. This book was released on 1985 with total page 834 pages. Available in PDF, EPUB and Kindle. Book excerpt: The importance of solvation as a concept which covers quite generally the interactions between a molecular solute particle and a macroscopic body of surrounding solvent is well recognized. Solvation plays a major role in the distribution of elements in the geo- and hydrosphere, and most chemical and biological processes involve solvated reactants and products, the electronic and molecular structure of which are strongly determined by solvation. This three-volume monograph has been written collectively by 50 authors from 14 countries who are specialists in different areas of solvation science. Part A deals with the theory of solvation; Part B is entirely devoted to spectroscopy of solvation; and Part C covers solvation phenomena in specific physical, chemical and biological systems. The volumes will be an invaluable reference source for physicists, physical chemists and biophysicists undertaking investigations into the diversified and fascinating areas of the physics and chemical physics of solvation at postgraduate and professional research levels.
Download or read book Solvent Effects on Chemical Phenomena written by Edward Amis and published by Elsevier. This book was released on 2012-12-02 with total page 487 pages. Available in PDF, EPUB and Kindle. Book excerpt: Solvent Effects on Chemical Phenomena, Volume I discusses the developments in the understanding of solvent effects on chemical phenomena in solution. This five-chapter volume begins with a discussion on the general concepts of various solvation types, including positive and negative, inner and outer sphere, and mixed component. The subsequent chapter deals with the determination of the actual solvation number for single ions. A short list of the total effective hydration numbers of electrolytes determined from temperature dependence of proton shifts is also provided in this chapter. Another chapter presents a number of examples of the unusual properties of certain mixed aqueous systems. The solvent effects on reaction rates and mechanisms are highlighted in the concluding chapter. This chapter also covers various types of solvents, such as protic and dipolar aprotic. The enthalpy and entropy of activation in salvation and the Finkelstein reactions are also discussed. Research chemists and scientists, teachers, and students with courses in solution chemistry will greatly benefit from this volume.
Download or read book Solvent Effects on the Stability of Biomolecules written by and published by . This book was released on 1999 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The goal of the proposal was to develop rapid computational methods for the accurate calculation of conformational free energies, binding free energies and solvation free energies of biomolecules. This was accomplished through (a) the development of an accurate parameter set for the calculation of solvation free energies, (b) the design of a new method to carry out high level quantum mechanical calculations in different solvent/macromolecule environments, (c) the design of a new method to calculate alkane/water partition coefficients, and (d) the development of a general quantum mechanical/continuum method to calculate solvation free energies. The availability of simple physical models to calculate solvent effects on stability should provide a firm physical basis for the design of new proteins and biomimetics with desired solubilities and stabilities in different environments.
Download or read book Labs on Chip written by Eugenio Iannone and published by CRC Press. This book was released on 2018-09-03 with total page 1351 pages. Available in PDF, EPUB and Kindle. Book excerpt: Labs on Chip: Principles, Design and Technology provides a complete reference for the complex field of labs on chip in biotechnology. Merging three main areas— fluid dynamics, monolithic micro- and nanotechnology, and out-of-equilibrium biochemistry—this text integrates coverage of technology issues with strong theoretical explanations of design techniques. Analyzing each subject from basic principles to relevant applications, this book: Describes the biochemical elements required to work on labs on chip Discusses fabrication, microfluidic, and electronic and optical detection techniques Addresses planar technologies, polymer microfabrication, and process scalability to huge volumes Presents a global view of current lab-on-chip research and development Devotes an entire chapter to labs on chip for genetics Summarizing in one source the different technical competencies required, Labs on Chip: Principles, Design and Technology offers valuable guidance for the lab-on-chip design decision-making process, while exploring essential elements of labs on chip useful both to the professional who wants to approach a new field and to the specialist who wants to gain a broader perspective.
Download or read book Many Body Effects and Electrostatics in Biomolecules written by Qiang Cui and published by CRC Press. This book was released on 2016-03-30 with total page 590 pages. Available in PDF, EPUB and Kindle. Book excerpt: As computational hardware continues to develop at a rapid pace, quantitative computations are playing an increasingly essential role in the study of biomolecular systems. One of the most important challenges that the field faces is to develop the next generation of computational models that strike the proper balance of computational efficiency and
Download or read book Molecular Theory of Solvation written by F Hirata and published by Springer. This book was released on 2014-01-15 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Theory of Solvation presents the recent progress in the statistical mechanics of molecular liquids applied to the most intriguing problems in chemistry today, including chemical reactions, conformational stability of biomolecules, ion hydration, and electrode-solution interface. The continuum model of "solvation" has played a dominant role in describing chemical processes in solution during the last century. This book discards and replaces it completely with molecular theory taking proper account of chemical specificity of solvent. The main machinery employed here is the reference-interaction-site-model (RISM) theory, which is combined with other tools in theoretical chemistry and physics: the ab initio and density functional theories in quantum chemistry, the generalized Langevin theory, and the molecular simulation techniques. This book will be of benefit to graduate students and industrial scientists who are struggling to find a better way of accounting and/or predicting "solvation" properties.
Download or read book Solvent Effects in Organic Chemistry written by Christian Reichardt and published by . This book was released on 1979 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Modelling Molecular Structure and Reactivity in Biological Systems written by Kevin Naidoo and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 305 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational and theoretical tools for understanding biological processes at the molecular level is an exciting and innovative area of science. Using these methods to study the structure, dynamics and reactivity of biomacromolecules in solution, computational chemistry is becoming an essential tool, complementing the more traditional methods for structure and reactivity determination. Modelling Molecular Structure and Reactivity in Biological Systems covers three main areas in computational chemistry; structure (conformational and electronic), reactivity and design. Initial sections focus on the link between computational and spectroscopic methods in the investigation of electronic structure. The use of Free Energy calculations for the elucidation of reaction mechanisms in enzymatic systems is also discussed. Subsequent sections focus on drug design and the use of database methods to determine ADME (absorption, distribution, metabolism, excretion) properties. This book provides a complete reference on state of the art computational chemistry practised on biological systems. It is ideal for researchers in the field of computational chemistry interested in its application to biological systems.
Download or read book Gas Phase IR Spectroscopy and Structure of Biological Molecules written by Anouk M. Rijs and published by Springer. This book was released on 2015-06-03 with total page 409 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.
Download or read book Synthetic Receptors for Biomolecules written by Bradley D. Smith and published by Royal Society of Chemistry. This book was released on 2015-07-10 with total page 466 pages. Available in PDF, EPUB and Kindle. Book excerpt: Synthetic receptor molecules, molecules that mimic antibody recognition, are widely used for developing drug leads; drug delivery vehicles; imaging agents; sensing agents; capture agents and separation systems. Synthetic Receptors for Biomolecules covers the most effective synthetic receptors for each major class of biomolecules within the context of specific applications. The book starts with an introduction to the applications of synthetic receptors for biomolecules and their design and synthesis for biomolecule recognition. Dedicated chapters then cover synthetic receptors for the key biomolecules including inorganic cations; small organic and inorganic anions; carbohydrates; nucleosides/nucleotides; oligonucleotides; amino acids and peptides; protein surfaces as well as non-polar and polar lipids; Each chapter follows the same systematic format of (a) chemical structures and physical properties of the biomolecule, (b) biological recognition of the biomolecule, (c) synthetic receptors for the biomolecule, (d) future directions and challenges. Edited by a leader in the field, the book is written in an accessible style for readers new to supramolecular chemistry or for those looking for synthetic receptors.
Download or read book Solvent Effects in Chemistry written by Erwin Buncel and published by John Wiley & Sons. This book was released on 2015-06-23 with total page 244 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book introduces the concepts, theory and experimental knowledge concerning solvent effects on the rate and equilibrium of chemical reactions of all kinds. It begins with basic thermodynamics and kinetics, building on this foundation to demonstrate how a more detailed understanding of these effects may be used to aid in determination of reaction mechanisms, and to aid in planning syntheses. Consideration is given to theoretical calculations (quantum chemistry, molecular dynamics, etc.), to statistical methods (chemometrics), and to modern day concerns such as "green" chemistry, where utilization and disposal of chemical waste or by-products in an environmentally safe way is as important as achieving the desired end products by all chemists nowadays. The treatment progresses from elementary to advanced material in straightforward fashion. The more advanced topics are not developed in an overly rigorous way so that upper-level undergraduates, graduates, and newcomers to the field can grasp the concepts easily.
Download or read book Biomolecules in Organic Solvents written by Armando Gomez-Puyou and published by CRC Press. This book was released on 1992-01-27 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: Biomolecules and Organic Solvents discusses the behavior of enzymes and multi-enzyme complexes in organic solvents, in addition to the problem of water-protein interactions and the characteristics of water at interphases. It attempts to bridge the gap between the all water and the organic solvents systems from the point of view of enzyme structure and function. The mechanism of action of enzymes dispersed in anhydrous organic solvents and the biotechnological perspectives of the field are evaluated, and new information regarding the function and characteristics of complex multi-enzymatic systems and whole cells in organic solvents are examined. New developments regarding the nature of the water pool and interphases of reverse micelles and their enzyme kinetics are also explored. The characteristics and properties of enzymes trapped in reverse micelles are discussed throughout the book. Biomolecules in Organic Solvents is essential reading for biochemists, molecular biologists, and others working in related fields.
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
