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Author: Duanyun Cao
Publisher: Springer Nature
ISBN: 9811969213
Category : Science
Languages : en
Pages : 149
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Book Description
This thesis highlights the study into the structures and dynamics of interfacial water, which is a cutting edge issue in condensed matter physics. Using the first principles calculation, classical molecular dynamics simulation and the simulation of atomic force microscopy (AFM), combined with the experimental results of AFM, the book systematically studies interfacial water at the atomic scale, especially the structure and growth mechanism of two-dimensional ice on hydrophobic Au (111) surface, the structure and the interconversion of the Eigen/Zundel hydrated proton on the Au(111) and Pt(111) surfaces, the microstructure and the hydration effect of the diffusion of ion hydrates on NaCl surface. This book displays the atomic scale information about the interaction between water and surface, and achieves many innovative results. Furthermore, the research methods included in this book can be further extended to study the more complex interfacial systems.
Author: Duanyun Cao
Publisher: Springer Nature
ISBN: 9811969213
Category : Science
Languages : en
Pages : 149
Get Book Here
Book Description
This thesis highlights the study into the structures and dynamics of interfacial water, which is a cutting edge issue in condensed matter physics. Using the first principles calculation, classical molecular dynamics simulation and the simulation of atomic force microscopy (AFM), combined with the experimental results of AFM, the book systematically studies interfacial water at the atomic scale, especially the structure and growth mechanism of two-dimensional ice on hydrophobic Au (111) surface, the structure and the interconversion of the Eigen/Zundel hydrated proton on the Au(111) and Pt(111) surfaces, the microstructure and the hydration effect of the diffusion of ion hydrates on NaCl surface. This book displays the atomic scale information about the interaction between water and surface, and achieves many innovative results. Furthermore, the research methods included in this book can be further extended to study the more complex interfacial systems.
Author: Fujie Tang
Publisher: Springer
ISBN: 9811389659
Category : Science
Languages : en
Pages : 107
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Book Description
This book focuses on the study of the interfacial water using molecular dynamics simulation and experimental sum frequency generation spectroscopy. It proposes a new definition of the free O-H groups at water-air interface and presents research on the structure and dynamics of these groups. Furthermore, it discusses the exponential decay nature of the orientation distribution of the free O-H groups of interfacial water and ascribes the origin of the down pointing free O-H groups to the presence of capillary waves on the surface. It also describes how, based on this new definition, a maximum surface H-bond density of around 200 K at ice surface was found, as the maximum results from two competing effects. Lastly, the book discusses the absorption of water molecules at the water–TiO2 interface. Providing insights into the combination of molecular dynamics simulation and experimental sum frequency generation spectroscopy, it is a valuable resource for researchers in the field.
Author: H. Jellinek
Publisher: Springer Science & Business Media
ISBN: 146158681X
Category : Technology & Engineering
Languages : en
Pages : 191
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Book Description
This symposium was held at the l6lst ACS National Meeting, Los Angeles, March/April 1971. It represents a contribution to the discussion of problems connected with the state of water near macromolecules. Some papers are only peripheral to the problem of water structure but may become quite pertinent in specific cases. Questions concerned with water structure, rate of hydration, and similar problems are of importance for biological processes and are still not yet well understood. It is hoped that the papers presented here will be of some help in the clarification of problems in this area. H. H. G. Jellinek Department of Chemistry Clarkson College of Technology Potsdam, New York September, 1971 v CONTRIBUTORS S. Ablett, Unilever Research Laboratory, Colworth House, Sharnbrook, Bedford, England M. Anbar, Stanford Research Institute, Menlo Park, California F. W. Cope, Biochemistry Division, Aerospace Medical Research Laboratory, U. S. Naval Air Development Center, Warminster, Pennsylvania B. Crist, Camille Dreyfus Laboratory, Research Triangle Park, North Carolina F. Franks, Unilever Research Laboratory, Colworth House, Sharnbrook, Bedford, England H. R, Gloria, NASA-Ames Research Center, Moffett Field, California G. W. Gross, New Mexico Institute of Mining and Technology, Socorro, New Mexico H. R. Hansen, The Procter & Gamble Company, Miami Valley Laboratories, Cincinnati, Ohio R. S. Kaiser, Research Laboratories, Eastman Kodak Company, Rochester, New York N. Laiken, Department of Chemistry, The University of Oregon, Eugene, Oregon C. E. Lamaze, Camille Dreyfus Laboratory, Research Triangle Park, North Carolina G. N.
Author: Biman Bagchi
Publisher: Cambridge University Press
ISBN: 1107037298
Category : Medical
Languages : en
Pages : 383
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Book Description
A unified overview of the dynamical properties of water and its unique and diverse role in biological and chemical processes.
Author: Akihiro Morita
Publisher: Springer
ISBN: 9811316074
Category : Science
Languages : en
Pages : 275
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Book Description
This book describes fundamental theory and recent advances of sum frequency generation (SFG) spectroscopy. SFG spectroscopy is widely used as a powerful tool of surface characterization, although theoretical interpretation of the obtained spectra has been a major bottleneck for most users. Recent advances in SFG theory have brought about a breakthrough in the analysis methods beyond conventional empirical ones, and molecular dynamics (MD) simulation of SFG spectroscopy allows for simultaneous understanding of observed spectra and interface structure in unprecedented detail. This book explains these recently understood theoretical aspects of SFG spectroscopy by the major developer of the theory. The theoretical topics are treated at basic levels for undergraduate students and are described in relation to computational chemistry, such as molecular modeling and MD simulation, toward close collaboration of SFG spectroscopy and computational chemistry in the near future.
Author: Klaus Wandelt
Publisher: Wiley-VCH
ISBN: 9783527680597
Category :
Languages : en
Pages : 500
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Book Description
Covering interface science from a novel surface science perspective, this seven-volume handbook offers a comprehensive overview of both these and numerous other topics. The initial chapters treat basic fundamentals on such topics as vacuum technology, while general chapters -- where appropriate -- describe theoretical methods and provide models to help explain the respective phenomena, such as band structure calculations, chemisorption and segregation. Additionally, short references to more specialized methodology accompany the descriptions of the most important techniques. Ideal as a reference for scientists in the field, as well as an introduction to current methods for newcomers.
Author: Fujie Tang
Publisher:
ISBN: 9789811389665
Category : Biological interfaces
Languages : en
Pages :
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Book Description
This book focuses on the study of the interfacial water using molecular dynamics simulation and experimental sum frequency generation spectroscopy. It proposes a new definition of the free O-H groups at water-air interface and presents research on the structure and dynamics of these groups. Furthermore, it discusses the exponential decay nature of the orientation distribution of the free O-H groups of interfacial water and ascribes the origin of the down pointing free O-H groups to the presence of capillary waves on the surface. It also describes how, based on this new definition, a maximum surface H-bond density of around 200 K at ice surface was found, as the maximum results from two competing effects. Lastly, the book discusses the absorption of water molecules at the water-TiO2 interface. Providing insights into the combination of molecular dynamics simulation and experimental sum frequency generation spectroscopy, it is a valuable resource for researchers in the field.
Author: E. Anibal Disalvo
Publisher: Springer
ISBN: 3319190601
Category : Science
Languages : en
Pages : 295
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Book Description
This book is about the importance of water in determining the structure, stability and responsive behavior of biological membranes. Water confers to lipid membranes unique features in terms of surface and mechanical properties. The analysis of the hydration forces, plasticiser effects, controlled hydration, formation of microdomains of confined water suggests that water is an active constituent in a water-lipid system. The chapters describe water organization at the lipid membrane–water interphase, the water penetration, the long range water structure in the presence of lipid membranes by means of X-ray and neutron scattering, general polarization, fluorescent probes, ATR-FTIR and near infrared spectroscopies, piezo electric methods, computer simulation and surface thermodynamics. Permeation, percolation, osmotic stress, polarization, protrusion, sorption, hydrophobicity, density fluctuations are treated in detail in self-assembled bilayers. Studies in lipid monolayers show the correlation of surface pressure with water activity and its role in peptide and enzyme interactions. The book concludes with a discussion on anhydrobiosis and the effect of water replacement in microdomains and its consequence for cell function. New definitions of lipid/water interphases consider water not only as a structural-making solvent but as a mediator in signalling metabolic activity, modulating protein insertion and enzymatic activity, triggering oscillatory reactions and functioning of membrane bound receptors. Since these effects occur at the molecular level, membrane hydration appears fundamental to understand the behavior of nano systems and confined environments mimicking biological systems. These insights in structural, thermodynamical and mechanical water properties give a base for new paradigms in membrane structure and function for those interested in biophysics, physical chemistry, biology, bio and nano medicine, biochemistry, biotechnology and nano sciences searching for biotechnological inputs in human health, food industry, plant growing and energy conversion.
Author: Y. Iwasawa
Publisher: Elsevier
ISBN: 0080529356
Category : Science
Languages : en
Pages : 1129
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Book Description
The purpose of this Conference was to discuss the results of recent developments and the future prospect in science and technology of the field. The field has been growing and flourishing, while indicating many problems to be uncovered and solved. The conference was structured to encourage interaction and to stimulate the exchange of ideas to accomplish the above purpose.Key issues and materials related to the Conference were included as follows: • Molecular Assemblies in Solutions; • Fine Particles and Colloidal Dispersions; • Supramolecular Organized Films; • Nanostructural Solid Surfaces; • Industrial Applications and Products.The Conference comprised 2 plenary lectures, 42 invited lectures, 150 oral presentations and 266 poster presentations.
Author: Motomu Tanaka
Publisher: Frontiers Media SA
ISBN: 2889747026
Category : Science
Languages : en
Pages : 97
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Book Description
Topic Editor Harada receives financial support from AGC Research Collaboration System with the title “Research on the control of biocompatibility based on the analysis of substrate surface”. The other Topic Editors declare no competing interests
