Molecular Dynamics Simulations Of Ice Water And Lipid Interfaces
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| Author | : Fujie Tang |
| Publisher | : Springer |
| Total Pages | : 107 |
| Release | : 2019-06-20 |
| Genre | : Science |
| ISBN | : 9811389659 |
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 | : Gertz I. Likhtenshtein |
| Publisher | : Springer Nature |
| Total Pages | : 523 |
| Release | : 2021-10-21 |
| Genre | : Science |
| ISBN | : 3030825035 |
This book embraces all physiochemical aspects of the structure and molecular dynamics of water, focusing on its role in biological objects, e.g. living cells and tissue, and in the formation of functionally active structures of biological molecules and their ensembles. Water is the single most abundant chemical found in all living things. It offers a detailed look into the latest modern physical methods for studying the molecular structure and dynamics of the water and provides a critical analysis of the existing literature data on the properties of water in biological objects. Water as a chemical reagent and as a medium for the formation of conditions for enzymatic catalysis is a core focus of this book. Although well suited for active researchers, the book as a whole, as well as each chapter on its own, can be used as fundamental reference material for graduate and undergraduate students throughout chemistry, physics, biophysics and biomedicine.
| Author | : Giovanni Ciccotti |
| Publisher | : MDPI |
| Total Pages | : 627 |
| Release | : 2018-10-08 |
| Genre | : Science |
| ISBN | : 3906980650 |
Printed Edition of the Special Issue Published in Entropy
| Author | : |
| Publisher | : |
| Total Pages | : 794 |
| Release | : 2005 |
| Genre | : Dissertations, Academic |
| ISBN | : |
| Author | : Akihiro Morita |
| Publisher | : Springer |
| Total Pages | : 275 |
| Release | : 2018-08-02 |
| Genre | : Science |
| ISBN | : 9811316074 |
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 | : Paul Shepson |
| Publisher | : World Scientific |
| Total Pages | : 922 |
| Release | : 2021-10-12 |
| Genre | : Science |
| ISBN | : 9811230145 |
Ice and snow on Earth modulate and modify the climate, chemistry and fate of air and water pollutants. Climate change is drastically impacting Nature and extent of the cryosphere, with attendant feedbacks on atmospheric composition and climate. These changes are happening at a rate that outpaces the development of fundamental knowledge of processes that occur within/on the surfaces of ice and snow, confounding our ability to develop a predictive capability for future states of the Earth environment.This set, comprising 17 chapters, written by world experts on these topics, are thus intended to document the current state of understanding of the structure, physical properties, abundance, and chemical and microbiological processes that occur within/on ice and snow in all Earth environments in which it exists, and to express needs for improvement of that understanding. This, only comprehensive treatise/collection that covers environmentally relevant chemistry and related physical aspects of snow and ice in the Earth system, and the connections to climate change, will be accessible to those with introductory college-level understanding of chemistry and physics.
| Author | : Herman P. Van Leeuwen |
| Publisher | : John Wiley & Sons |
| Total Pages | : 566 |
| Release | : 2004-04-02 |
| Genre | : Science |
| ISBN | : 0470094036 |
Part of the IUPAC Series on Analytical and Physical Chemistry of Environmental Systems, this book collects and integrates current knowledge of the chemical mechanisms, kinetics, transport and interactions involved in processes at biological interfaces in environmental systems. Provides important, current knowledge for environmental scientists and related fields Highlights key directions for future research Follows on from a previous title in the series, Metal Speciation and Bioavailability in Aquatic Systems Written by internationally renowned editors and authors Kinetics and Transport at Biointerfaces will be a valuable resource for researchers and students interested in understanding the fundamentals of chemical kinetics and transport processes in bioenvironmental systems. The content is required reading for chemists, physicists and biologists in environmentally oriented disciplines.
| Author | : |
| Publisher | : Academic Press |
| Total Pages | : 393 |
| Release | : 2015-06-08 |
| Genre | : Science |
| ISBN | : 0128033274 |
Current Topics in Membranes is targeted toward scientists and researchers in biochemistry and molecular and cellular biology, providing the necessary membrane research to assist them in discovering the current state of a particular field and in learning where that field is heading. This volume offers an up to date presentation of current knowledge in the field of Lipid Domains. - Written by leading experts - Contains original material, both textual and illustrative, that should become a very relevant reference material - The material is presented in a very comprehensive manner - Both researchers in the field and general readers should find relevant and up-to-date information
| Author | : Biman Bagchi |
| Publisher | : Cambridge University Press |
| Total Pages | : 383 |
| Release | : 2013-11-14 |
| Genre | : Medical |
| ISBN | : 1107037298 |
A unified overview of the dynamical properties of water and its unique and diverse role in biological and chemical processes.
| Author | : Werner Kunz |
| Publisher | : World Scientific |
| Total Pages | : 347 |
| Release | : 2010 |
| Genre | : Medical |
| ISBN | : 9814271586 |
Specific ion effects are important in numerous fields of science and technology. This book summarizes the main ideas that came up over the years. It presents the efforts of theoreticians and supports it by the experimental results stemming from various techniques.
